#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv6 n THR 2 N 0.00 0.00 0.09 0.00 -2.24 -1.26 -4.50 114.28 106.37 3iv6 n THR 2 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3iv6 n THR 2 Cb 0.00 -0.06 -0.15 0.00 -2.10 0.00 0.00 70.33 68.02 3iv6 n THR 2 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3iv6 h ILE 3 N 0.00 1.35 0.00 2.28 2.04 -2.02 -3.24 117.51 117.93 3iv6 h ILE 3 Ca 0.00 -2.59 -0.11 0.00 1.00 0.00 0.00 64.86 63.16 3iv6 h ILE 3 Cb 0.00 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 3iv6 h ILE 3 CO 0.00 0.76 -0.52 0.71 0.00 0.00 0.00 178.15 179.10 3iv6 h THR 4 N -0.13 0.99 -2.65 -0.27 1.35 -2.06 -3.41 112.91 106.73 3iv6 h THR 4 Ca -0.21 -2.13 -0.59 0.00 -0.55 0.00 0.00 66.41 62.94 3iv6 h THR 4 Cb 1.90 2.30 -0.39 0.00 -1.73 0.00 0.00 68.15 70.22 3iv6 h THR 4 CO 0.20 0.51 -0.83 0.21 -0.25 0.00 0.00 175.52 175.36 3iv6 s ASN 5 N -6.49 3.05 0.00 5.36 3.84 -1.25 -4.99 114.94 114.46 3iv6 s ASN 5 Ca 0.02 -2.28 0.16 0.00 0.21 0.00 0.00 52.86 50.97 3iv6 s ASN 5 Cb 0.09 -0.50 0.81 0.00 -0.55 0.00 0.00 41.25 41.10 3iv6 s ASN 5 CO 0.73 -0.30 1.46 -1.54 -2.79 0.00 0.00 177.10 174.67 3iv6 n SER 6 N 3.93 0.00 0.16 -4.21 3.41 -1.22 -2.38 113.62 113.31 3iv6 n SER 6 Ca 0.12 0.06 0.03 0.00 -0.26 0.00 0.00 58.87 58.81 3iv6 n SER 6 Cb 0.37 -0.28 0.39 0.00 -0.26 0.00 0.00 64.21 64.43 3iv6 n SER 6 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iv6 h LYS 7 N 0.00 0.12 -0.57 4.33 1.57 -1.89 -2.54 116.57 117.60 3iv6 h LYS 7 Ca 0.00 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3iv6 h LYS 7 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3iv6 h LYS 7 CO 0.00 0.35 0.39 0.00 -0.57 0.00 0.00 179.45 179.62 3iv6 h ALA 8 N 1.66 2.21 -0.76 3.86 0.00 -1.76 0.21 119.26 124.68 3iv6 h ALA 8 Ca 0.02 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3iv6 h ALA 8 Cb 0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3iv6 h ALA 8 CO 0.03 -0.36 0.51 0.93 0.00 0.00 0.00 179.25 180.36 3iv6 h GLU 9 N 0.23 0.39 0.00 0.00 4.39 -1.68 -0.21 114.58 117.70 3iv6 h GLU 9 Ca 0.27 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 3iv6 h GLU 9 Cb 0.74 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3iv6 h GLU 9 CO -0.05 0.26 -0.09 0.00 -1.16 0.00 0.00 179.01 177.96 3iv6 h ALA 10 N 1.64 1.61 0.00 3.43 0.00 -0.71 -3.07 119.26 122.17 3iv6 h ALA 10 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3iv6 h ALA 10 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3iv6 h ALA 10 CO -0.12 0.12 -1.26 0.91 0.00 0.00 0.00 179.25 178.89 3iv6 n TRP 11 N -4.09 0.04 0.12 0.00 7.02 -0.11 -3.38 117.44 117.04 3iv6 n TRP 11 Ca -0.03 0.01 0.13 0.00 -1.02 0.00 0.00 57.50 56.60 3iv6 n TRP 11 Cb 0.18 -0.20 0.64 0.00 -2.42 0.00 0.00 31.31 29.51 3iv6 n TRP 11 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3iv6 h GLU 12 N 0.00 0.04 -0.01 -0.99 4.39 -1.41 -2.27 114.58 114.34 3iv6 h GLU 12 Ca 0.00 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3iv6 h GLU 12 Cb 0.67 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3iv6 h GLU 12 CO 0.00 0.03 -0.49 -0.07 -1.16 0.00 0.00 179.01 177.32 3iv6 h LEU 13 N 0.05 0.03 0.00 1.33 3.38 -1.60 -3.40 115.31 115.10 3iv6 h LEU 13 Ca 0.13 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3iv6 h LEU 13 Cb 0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3iv6 h LEU 13 CO -0.01 0.52 -1.27 -0.38 0.09 0.00 0.00 178.44 177.39 3iv6 n ILE 14 N -3.96 1.46 -3.24 1.22 2.08 -0.90 -5.02 119.36 111.00 3iv6 n ILE 14 Ca -0.02 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.34 3iv6 n ILE 14 Cb 0.51 -2.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.21 3iv6 n ILE 14 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3iv6 n GLY 15 N 1.57 0.87 0.09 7.39 0.00 -0.95 -2.27 105.19 111.90 3iv6 n GLY 15 Ca -0.22 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.09 3iv6 n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iv6 n ASN 16 N -3.35 0.14 0.14 1.61 0.23 -1.26 -1.55 115.26 111.22 3iv6 n ASN 16 Ca 0.00 0.35 0.12 0.00 -0.53 0.00 0.00 54.58 54.52 3iv6 n ASN 16 Cb 0.00 -0.29 0.63 0.00 -2.08 0.00 0.00 39.78 38.05 3iv6 n ASN 16 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3iv6 h GLN 17 N 0.00 0.05 -0.97 -3.83 4.20 -1.85 -2.48 115.11 110.23 3iv6 h GLN 17 Ca 0.00 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3iv6 h GLN 17 Cb 0.75 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 3iv6 h GLN 17 CO 0.00 0.04 0.62 0.35 -0.67 0.00 0.00 178.83 179.17 3iv6 h PHE 18 N 0.06 1.15 -0.17 2.96 3.57 -1.47 0.62 116.94 123.65 3iv6 h PHE 18 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3iv6 h PHE 18 Cb 0.34 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3iv6 h PHE 18 CO -0.00 0.58 0.00 -2.67 -2.23 0.00 0.00 178.31 173.99 3iv6 n TRP 19 N -4.54 0.21 -0.09 0.41 2.14 -1.01 -3.12 117.44 111.44 3iv6 n TRP 19 Ca 0.15 -0.14 -0.11 0.00 2.07 0.00 0.00 57.50 59.47 3iv6 n TRP 19 Cb 0.19 -0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.59 3iv6 n TRP 19 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3iv6 n THR 20 N 1.09 1.04 -0.86 -1.67 -2.24 -0.97 -4.77 114.28 105.90 3iv6 n THR 20 Ca 0.13 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3iv6 n THR 20 Cb 0.49 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 3iv6 n THR 20 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3iv6 n ILE 21 N -2.88 0.00 -0.79 2.28 -5.35 -0.38 -5.05 119.36 107.19 3iv6 n ILE 21 Ca -0.30 -0.05 -0.30 0.00 -0.27 0.00 0.00 62.75 61.83 3iv6 n ILE 21 Cb 0.89 1.86 0.19 0.00 -1.74 0.00 0.00 39.64 40.84 3iv6 n ILE 21 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3iv6 s GLY 22 N -0.00 1.61 -0.01 3.28 0.00 0.07 -0.22 107.32 112.04 3iv6 s GLY 22 Ca 0.00 0.13 -0.35 0.00 0.00 0.00 0.00 44.72 44.50 3iv6 s GLY 22 CO 0.00 0.68 1.71 -2.13 0.00 0.00 0.00 173.10 173.36 3iv6 n ARG 23 N -4.39 1.93 -0.32 2.90 0.63 -1.20 -4.38 116.66 111.82 3iv6 n ARG 23 Ca 0.07 0.70 -0.01 0.00 -0.92 0.00 0.00 57.85 57.69 3iv6 n ARG 23 Cb 0.54 -2.48 0.16 0.00 0.45 0.00 0.00 32.46 31.13 3iv6 n ARG 23 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3iv6 h VAL 24 N 4.61 1.23 0.00 5.15 2.07 -1.93 -1.55 116.25 125.84 3iv6 h VAL 24 Ca -0.47 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3iv6 h VAL 24 Cb 1.28 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3iv6 h VAL 24 CO 0.91 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.73 3iv6 n ALA 25 N -2.39 2.47 1.25 1.67 0.00 -1.26 -2.87 120.51 119.37 3iv6 n ALA 25 Ca 0.11 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3iv6 n ALA 25 Cb 0.02 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.48 3iv6 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iv6 n ALA 26 N -0.86 2.95 -2.50 0.00 0.00 -0.58 -4.73 120.51 114.79 3iv6 n ALA 26 Ca 0.15 -0.49 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 3iv6 n ALA 26 Cb 0.07 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 3iv6 n ALA 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3iv6 s ARG 27 N -2.30 1.73 0.44 0.00 1.70 -1.14 -5.04 118.95 114.35 3iv6 s ARG 27 Ca 0.28 -1.85 -0.25 0.00 -0.47 0.00 0.00 55.73 53.43 3iv6 s ARG 27 Cb 0.20 -1.65 -0.08 0.00 -0.57 0.00 0.00 34.95 32.85 3iv6 s ARG 27 CO 0.45 0.19 1.34 -2.14 -1.08 0.00 0.00 175.30 174.06 3iv6 s PRO 28 N -3.59 3.74 1.17 3.89 0.02 -1.26 -4.95 135.00 134.01 3iv6 s PRO 28 Ca 0.31 2.21 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 3iv6 s PRO 28 Cb 0.00 -2.62 0.27 0.00 0.02 0.00 0.00 34.50 32.17 3iv6 s PRO 28 CO 0.15 -0.70 1.08 -1.54 -0.33 0.00 0.00 177.00 175.66 3iv6 s SER 29 N -0.76 1.17 0.13 2.53 1.04 -1.26 -4.76 113.70 111.79 3iv6 s SER 29 Ca 0.61 0.87 -0.24 0.00 0.48 0.00 0.00 55.95 57.66 3iv6 s SER 29 Cb -0.39 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.41 3iv6 s SER 29 CO 0.50 -3.99 1.64 0.44 0.98 0.00 0.00 173.24 172.80 3iv6 h ASP 30 N -2.49 -0.70 -0.91 7.02 3.32 -2.00 -0.57 116.42 120.09 3iv6 h ASP 30 Ca -0.49 0.11 0.15 0.00 0.02 0.00 0.00 57.03 56.82 3iv6 h ASP 30 Cb 1.31 0.30 -0.09 0.00 0.22 0.00 0.00 39.33 41.07 3iv6 h ASP 30 CO 0.42 -0.29 0.52 -0.09 -1.72 0.00 0.00 179.24 178.08 3iv6 h ARG 31 N -0.32 0.71 -0.13 3.56 9.65 -2.00 -2.01 114.38 123.84 3iv6 h ARG 31 Ca 0.08 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.72 3iv6 h ARG 31 Cb 0.44 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3iv6 h ARG 31 CO -0.26 0.47 -0.72 0.93 2.80 0.00 0.00 179.97 183.19 3iv6 h GLU 32 N 0.73 0.61 -0.50 0.20 5.08 -1.81 -1.38 114.58 117.52 3iv6 h GLU 32 Ca 0.49 -0.47 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3iv6 h GLU 32 Cb 0.67 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 3iv6 h GLU 32 CO -0.34 1.10 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.85 3iv6 h ASN 33 N 0.42 -0.22 -0.59 1.42 2.35 -0.43 -1.28 115.58 117.25 3iv6 h ASN 33 Ca -0.03 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3iv6 h ASN 33 Cb 1.31 0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.85 3iv6 h ASN 33 CO 0.14 -0.08 0.31 0.44 -1.65 0.00 0.00 177.43 176.59 3iv6 h ASP 34 N 0.11 0.44 -0.36 5.81 3.32 -1.07 -2.62 116.42 122.05 3iv6 h ASP 34 Ca 0.25 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3iv6 h ASP 34 Cb 0.38 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3iv6 h ASP 34 CO -0.42 0.29 0.05 0.40 -1.72 0.00 0.00 179.24 177.84 3iv6 h ILE 35 N 0.58 1.22 0.00 0.35 2.04 -0.74 -1.61 117.51 119.35 3iv6 h ILE 35 Ca 0.27 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3iv6 h ILE 35 Cb 0.18 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3iv6 h ILE 35 CO -0.18 0.30 0.00 -0.26 0.00 0.00 0.00 178.15 178.01 3iv6 h PHE 36 N 0.67 0.00 -0.02 1.37 -1.00 -0.88 -3.14 116.94 113.94 3iv6 h PHE 36 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3iv6 h PHE 36 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 3iv6 h PHE 36 CO 0.02 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 178.00 3iv6 n LEU 37 N -3.07 1.40 -4.76 1.54 4.77 -0.66 -4.98 117.00 111.24 3iv6 n LEU 37 Ca -0.02 -1.21 -0.41 0.00 -0.03 0.00 0.00 56.01 54.34 3iv6 n LEU 37 Cb 0.12 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3iv6 n LEU 37 CO 0.21 0.33 1.19 -1.61 -1.33 0.00 0.00 177.39 176.18 3iv6 s GLU 38 N -0.36 4.14 0.00 3.23 2.02 -0.88 -1.76 118.70 125.09 3iv6 s GLU 38 Ca 0.03 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.56 3iv6 s GLU 38 Cb 0.02 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3iv6 s GLU 38 CO 0.03 -0.57 0.00 0.09 0.02 0.00 0.00 175.26 174.83 3iv6 n ASN 39 N 1.57 -2.52 -4.70 -0.19 3.02 -1.26 -4.98 115.26 106.20 3iv6 n ASN 39 Ca 0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 3iv6 n ASN 39 Cb 0.38 -1.54 -0.06 0.00 -0.61 0.00 0.00 39.78 37.95 3iv6 n ASN 39 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iv6 s ILE 40 N -2.01 5.19 0.26 2.41 1.01 -0.72 -5.08 121.20 122.25 3iv6 s ILE 40 Ca 0.00 0.88 0.09 0.00 0.00 0.00 0.00 60.65 61.62 3iv6 s ILE 40 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3iv6 s ILE 40 CO 0.00 0.29 -0.14 0.68 0.00 0.00 0.00 174.94 175.78 3iv6 s VAL 41 N 0.88 2.03 0.29 2.92 -7.23 -1.26 -5.03 120.40 113.00 3iv6 s VAL 41 Ca 0.24 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 3iv6 s VAL 41 Cb -0.15 -2.29 -0.12 0.00 0.56 0.00 0.00 36.38 34.38 3iv6 s VAL 41 CO 0.09 -0.42 1.47 -2.65 -0.31 0.00 0.00 175.10 173.28 3iv6 n PRO 42 N -0.56 2.36 0.00 4.82 -0.02 -1.23 -1.78 135.00 138.59 3iv6 n PRO 42 Ca -0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3iv6 n PRO 42 Cb 0.61 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3iv6 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iv6 n GLY 43 N 1.75 2.62 3.77 -1.23 0.00 0.93 -4.90 105.19 108.13 3iv6 n GLY 43 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3iv6 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iv6 s SER 44 N -1.32 6.22 -0.24 1.61 0.01 -0.74 -4.63 113.70 114.62 3iv6 s SER 44 Ca 0.00 2.65 -0.20 0.00 1.31 0.00 0.00 55.95 59.71 3iv6 s SER 44 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 3iv6 s SER 44 CO 0.00 -0.91 0.59 0.42 0.41 0.00 0.00 173.24 173.74 3iv6 s THR 45 N -1.28 5.03 -0.08 1.44 -4.23 -1.26 -0.26 115.64 115.00 3iv6 s THR 45 Ca 0.58 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 62.19 3iv6 s THR 45 Cb -0.38 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.57 3iv6 s THR 45 CO 0.48 0.08 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.76 3iv6 s VAL 46 N 2.21 1.65 -0.21 2.29 1.01 -0.76 -0.45 120.40 126.13 3iv6 s VAL 46 Ca 0.25 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3iv6 s VAL 46 Cb -0.16 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3iv6 s VAL 46 CO 0.09 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.65 3iv6 s ALA 47 N 0.41 2.97 -0.29 5.51 0.00 0.80 -1.51 121.76 129.65 3iv6 s ALA 47 Ca -0.15 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 3iv6 s ALA 47 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3iv6 s ALA 47 CO 0.06 -0.25 0.23 0.08 0.00 0.00 0.00 175.76 175.88 3iv6 s VAL 48 N 1.17 5.28 -0.23 0.00 1.01 -0.48 -0.52 120.40 126.64 3iv6 s VAL 48 Ca 0.03 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 3iv6 s VAL 48 Cb -0.14 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3iv6 s VAL 48 CO 0.01 0.18 0.78 -0.63 0.00 0.00 0.00 175.10 175.44 3iv6 s ILE 49 N 1.80 4.88 0.00 2.22 -1.09 -0.67 -0.97 121.20 127.38 3iv6 s ILE 49 Ca 0.08 1.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 3iv6 s ILE 49 Cb -0.16 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 3iv6 s ILE 49 CO 0.11 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 3iv6 n GLY 50 N 3.76 0.74 0.00 6.18 0.00 0.31 -4.59 105.19 111.60 3iv6 n GLY 50 Ca 0.04 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.41 3iv6 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv6 n ALA 51 N 0.09 1.82 0.18 4.61 0.00 -1.25 -2.21 120.51 123.74 3iv6 n ALA 51 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.44 3iv6 n ALA 51 Cb 0.00 -1.20 0.14 0.00 0.00 0.00 0.00 19.45 18.40 3iv6 n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iv6 h SER 52 N 0.00 0.00 -0.37 0.00 4.64 -1.93 -3.38 113.55 112.51 3iv6 h SER 52 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 3iv6 h SER 52 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 3iv6 h SER 52 CO 0.00 0.28 3.18 0.41 -0.87 0.00 0.00 176.83 179.84 3iv6 n THR 53 N -3.20 4.23 0.07 2.95 -1.04 -0.94 -4.70 114.28 111.65 3iv6 n THR 53 Ca 0.02 -3.23 0.03 0.00 -2.04 0.00 0.00 64.05 58.84 3iv6 n THR 53 Cb 0.62 -2.49 0.41 0.00 -1.82 0.00 0.00 70.33 67.05 3iv6 n THR 53 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3iv6 h ARG 54 N 5.32 0.36 0.09 -2.82 1.12 -1.87 -1.53 114.38 115.05 3iv6 h ARG 54 Ca 0.70 -0.05 -0.31 0.00 -1.11 0.00 0.00 59.98 59.21 3iv6 h ARG 54 Cb 0.43 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 3iv6 h ARG 54 CO 1.75 0.36 -1.64 0.74 -3.11 0.00 0.00 179.97 178.07 3iv6 h PHE 55 N 0.36 0.33 -0.52 2.20 0.04 -1.97 -2.60 116.94 114.78 3iv6 h PHE 55 Ca 0.09 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.64 3iv6 h PHE 55 Cb 0.18 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3iv6 h PHE 55 CO 0.00 1.35 0.31 1.25 -0.60 0.00 0.00 178.31 180.62 3iv6 h LEU 56 N 0.05 0.50 -1.14 1.54 5.85 -1.90 -1.63 115.31 118.58 3iv6 h LEU 56 Ca -0.28 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3iv6 h LEU 56 Cb 2.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 3iv6 h LEU 56 CO 0.13 0.35 0.16 0.40 -0.34 0.00 0.00 178.44 179.14 3iv6 h ILE 57 N 0.61 1.21 -0.08 4.05 2.04 -1.31 -2.13 117.51 121.90 3iv6 h ILE 57 Ca 0.21 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 65.19 3iv6 h ILE 57 Cb 0.02 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3iv6 h ILE 57 CO -0.10 0.27 -0.69 -0.08 0.00 0.00 0.00 178.15 177.55 3iv6 h GLU 58 N 0.76 0.37 -0.21 2.37 4.81 -1.05 -1.91 114.58 119.72 3iv6 h GLU 58 Ca 0.17 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 3iv6 h GLU 58 Cb 0.22 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3iv6 h GLU 58 CO -0.01 0.92 -0.38 0.87 -0.73 0.00 0.00 179.01 179.68 3iv6 h LYS 59 N 0.26 0.48 -0.28 1.92 1.79 -1.15 -1.76 116.57 117.82 3iv6 h LYS 59 Ca -0.02 -0.23 0.02 0.00 -2.18 0.00 0.00 60.65 58.24 3iv6 h LYS 59 Cb 1.25 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 3iv6 h LYS 59 CO 0.12 0.79 0.14 0.00 -1.08 0.00 0.00 179.45 179.41 3iv6 h ALA 60 N 1.19 0.34 -0.56 3.86 0.00 -1.06 -0.58 119.26 122.45 3iv6 h ALA 60 Ca 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3iv6 h ALA 60 Cb 0.85 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3iv6 h ALA 60 CO 0.07 -0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 178.94 3iv6 h LEU 61 N 0.30 1.02 -1.22 0.00 3.38 -1.27 -2.86 115.31 114.66 3iv6 h LEU 61 Ca 0.12 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3iv6 h LEU 61 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3iv6 h LEU 61 CO -0.08 1.11 -0.10 -0.08 0.09 0.00 0.00 178.44 179.39 3iv6 h GLU 62 N 0.91 0.42 0.00 1.13 4.81 -1.04 -1.67 114.58 119.15 3iv6 h GLU 62 Ca 0.15 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3iv6 h GLU 62 Cb 0.62 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3iv6 h GLU 62 CO 0.04 0.52 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.76 3iv6 h ARG 63 N 0.40 0.00 0.00 1.92 9.65 -1.03 -3.46 114.38 121.86 3iv6 h ARG 63 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3iv6 h ARG 63 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3iv6 h ARG 63 CO 0.02 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.20 3iv6 n GLY 64 N -0.67 1.04 3.86 2.80 0.00 -0.63 -3.55 105.19 108.04 3iv6 n GLY 64 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3iv6 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv6 s ALA 65 N -2.00 3.20 -0.60 4.61 0.00 -1.09 -0.05 121.76 125.84 3iv6 s ALA 65 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.77 3iv6 s ALA 65 Cb 0.00 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.30 3iv6 s ALA 65 CO 0.00 -0.11 0.75 -1.12 0.00 0.00 0.00 175.76 175.29 3iv6 s SER 66 N -3.07 6.18 -0.18 0.00 0.01 0.65 -4.57 113.70 112.71 3iv6 s SER 66 Ca 0.55 -1.30 -0.10 0.00 1.31 0.00 0.00 55.95 56.42 3iv6 s SER 66 Cb -0.10 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 3iv6 s SER 66 CO 0.31 -1.17 0.14 -0.69 0.41 0.00 0.00 173.24 172.24 3iv6 s VAL 67 N 2.97 5.42 -0.09 3.43 1.01 -1.26 -1.84 120.40 130.05 3iv6 s VAL 67 Ca 0.14 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.36 3iv6 s VAL 67 Cb -0.22 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3iv6 s VAL 67 CO 0.07 0.47 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 3iv6 s THR 68 N 0.12 2.60 -0.11 3.92 2.01 -0.57 -2.62 115.64 120.99 3iv6 s THR 68 Ca 0.10 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 3iv6 s THR 68 Cb -0.11 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3iv6 s THR 68 CO -0.01 0.55 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 3iv6 s VAL 69 N 0.03 4.08 -0.06 3.82 1.01 0.10 -1.38 120.40 128.00 3iv6 s VAL 69 Ca -0.07 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3iv6 s VAL 69 Cb -0.15 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3iv6 s VAL 69 CO 0.05 0.56 -0.16 -0.36 0.00 0.00 0.00 175.10 175.19 3iv6 s PHE 70 N -0.41 2.66 -0.10 5.22 0.08 -0.14 -0.50 117.98 124.79 3iv6 s PHE 70 Ca 0.07 -0.32 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 3iv6 s PHE 70 Cb -0.12 -1.65 0.06 0.00 -0.57 0.00 0.00 43.02 40.73 3iv6 s PHE 70 CO 0.02 0.06 0.59 0.34 -0.10 0.00 0.00 175.22 176.13 3iv6 s ASP 71 N -0.48 -0.56 -0.01 1.36 -1.08 -1.05 -0.53 116.67 114.32 3iv6 s ASP 71 Ca 0.06 0.77 0.14 0.00 -0.52 0.00 0.00 52.55 53.00 3iv6 s ASP 71 Cb -0.12 0.74 0.40 0.00 -1.46 0.00 0.00 42.92 42.48 3iv6 s ASP 71 CO 0.02 -0.44 1.33 2.22 0.52 0.00 0.00 175.17 178.81 3iv6 n PHE 72 N 1.61 0.63 -5.07 -5.34 -1.74 -0.96 -0.51 117.46 106.08 3iv6 n PHE 72 Ca -0.18 -0.31 -0.30 0.00 -0.56 0.00 0.00 57.45 56.11 3iv6 n PHE 72 Cb 0.56 -0.02 -0.17 0.00 1.52 0.00 0.00 39.48 41.38 3iv6 n PHE 72 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3iv6 s SER 73 N -0.97 2.76 0.20 5.98 0.15 -1.26 -4.73 113.70 115.82 3iv6 s SER 73 Ca 0.30 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 3iv6 s SER 73 Cb 0.16 -1.21 0.16 0.00 -1.71 0.00 0.00 66.02 63.42 3iv6 s SER 73 CO 0.20 0.14 1.53 -0.61 1.20 0.00 0.00 173.24 175.70 3iv6 h GLN 74 N 6.70 0.51 -1.10 5.44 5.75 -1.91 -2.75 115.11 127.74 3iv6 h GLN 74 Ca -0.23 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 3iv6 h GLN 74 Cb 1.22 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.80 3iv6 h GLN 74 CO 0.47 0.91 0.00 -2.13 -2.65 0.00 0.00 178.83 175.43 3iv6 n ARG 75 N -3.96 0.43 0.00 1.69 0.63 -1.26 -1.43 116.66 112.76 3iv6 n ARG 75 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3iv6 n ARG 75 Cb 0.59 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.24 3iv6 n ARG 75 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3iv6 h ASP 78 N 0.00 0.44 -0.01 0.00 3.32 -1.53 -0.79 116.42 117.85 3iv6 h ASP 78 Ca 0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 57.03 56.25 3iv6 h ASP 78 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3iv6 h ASP 78 CO 0.00 1.11 -0.14 0.44 -1.72 0.00 0.00 179.24 178.93 3iv6 h ASP 79 N -0.20 0.30 -0.04 6.45 3.32 -0.94 -0.70 116.42 124.62 3iv6 h ASP 79 Ca -0.05 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3iv6 h ASP 79 Cb 1.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3iv6 h ASP 79 CO 0.09 0.47 -0.07 0.25 -1.72 0.00 0.00 179.24 178.26 3iv6 h LEU 80 N 0.30 0.13 -2.09 1.55 5.85 -1.76 -1.99 115.31 117.30 3iv6 h LEU 80 Ca 0.06 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.23 3iv6 h LEU 80 Cb 0.44 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3iv6 h LEU 80 CO 0.03 0.67 0.05 0.00 -0.34 0.00 0.00 178.44 178.84 3iv6 h ALA 81 N 0.46 1.97 0.06 1.25 0.00 -0.92 -1.49 119.26 120.59 3iv6 h ALA 81 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iv6 h ALA 81 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3iv6 h ALA 81 CO 0.02 -0.08 -0.03 1.49 0.00 0.00 0.00 179.25 180.65 3iv6 h GLU 82 N 0.00 -0.07 0.00 0.00 4.81 -1.00 -2.96 114.58 115.36 3iv6 h GLU 82 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3iv6 h GLU 82 Cb 0.13 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3iv6 h GLU 82 CO -0.00 0.38 0.01 0.00 -0.73 0.00 0.00 179.01 178.67 3iv6 h ALA 83 N 0.34 1.01 -0.82 2.92 0.00 -0.78 -2.92 119.26 119.01 3iv6 h ALA 83 Ca -0.01 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 3iv6 h ALA 83 Cb 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.85 3iv6 h ALA 83 CO 0.01 -0.01 -0.85 1.28 0.00 0.00 0.00 179.25 179.68 3iv6 n LEU 84 N -3.01 4.40 0.21 0.00 4.77 -0.61 -4.85 117.00 117.90 3iv6 n LEU 84 Ca -0.03 -4.57 0.09 0.00 -0.03 0.00 0.00 56.01 51.47 3iv6 n LEU 84 Cb 0.07 -0.23 0.36 0.00 -2.33 0.00 0.00 43.42 41.29 3iv6 n LEU 84 CO 0.19 1.98 0.75 0.00 -1.33 0.00 0.00 177.39 178.98 3iv6 h ALA 85 N 2.30 0.95 0.00 -1.18 0.00 -1.34 -2.67 119.26 117.33 3iv6 h ALA 85 Ca 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3iv6 h ALA 85 Cb 1.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3iv6 h ALA 85 CO 0.69 0.32 -0.94 0.38 0.00 0.00 0.00 179.25 179.70 3iv6 h ASP 86 N 0.00 0.00 -4.04 0.00 2.03 -1.88 -3.47 116.42 109.06 3iv6 h ASP 86 Ca -0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 3iv6 h ASP 86 Cb 0.88 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.41 3iv6 h ASP 86 CO 0.03 0.23 0.29 -0.13 -1.03 0.00 0.00 179.24 178.64 3iv6 s ARG 87 N -3.16 3.75 -0.47 4.15 0.52 -1.01 -5.04 118.95 117.68 3iv6 s ARG 87 Ca 0.00 0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 55.70 3iv6 s ARG 87 Cb 0.08 -2.21 0.04 0.00 0.52 0.00 0.00 34.95 33.39 3iv6 s ARG 87 CO 0.78 -0.30 0.54 0.00 0.02 0.00 0.00 175.30 176.34 3iv6 s VAL 89 N 2.39 0.01 -0.20 0.00 0.11 -1.26 -4.81 120.40 116.63 3iv6 s VAL 89 Ca 0.14 -0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 3iv6 s VAL 89 Cb -0.18 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 3iv6 s VAL 89 CO 0.13 -0.03 0.09 -0.89 -3.33 0.00 0.00 175.10 171.07 3iv6 s THR 90 N -0.87 5.00 -0.16 5.04 2.01 -1.08 -5.03 115.64 120.55 3iv6 s THR 90 Ca -0.09 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 3iv6 s THR 90 Cb -0.02 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.25 3iv6 s THR 90 CO 0.07 0.43 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.72 3iv6 s ILE 91 N 0.54 1.29 0.12 1.82 1.01 -1.26 0.01 121.20 124.72 3iv6 s ILE 91 Ca 0.05 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.14 3iv6 s ILE 91 Cb -0.12 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3iv6 s ILE 91 CO 0.00 0.22 -0.26 -1.81 0.00 0.00 0.00 174.94 173.10 3iv6 s ASP 92 N 1.57 3.20 -0.37 3.58 1.01 0.34 -4.96 116.67 121.04 3iv6 s ASP 92 Ca 0.02 -0.72 -0.25 0.00 0.71 0.00 0.00 52.55 52.30 3iv6 s ASP 92 Cb -0.15 -0.22 0.01 0.00 1.01 0.00 0.00 42.92 43.58 3iv6 s ASP 92 CO -0.08 0.17 0.89 -0.22 0.21 0.00 0.00 175.17 176.14 3iv6 s LEU 93 N -1.95 4.03 -0.05 1.23 2.96 -1.26 -2.54 118.68 121.10 3iv6 s LEU 93 Ca 0.13 0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 54.36 3iv6 s LEU 93 Cb -0.10 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.43 3iv6 s LEU 93 CO 0.05 -0.83 0.40 -0.22 -1.32 0.00 0.00 176.35 174.43 3iv6 s LEU 94 N 3.39 0.49 -0.40 -0.68 0.20 0.34 -4.89 118.68 117.13 3iv6 s LEU 94 Ca 0.36 0.35 -0.05 0.00 0.69 0.00 0.00 54.13 55.48 3iv6 s LEU 94 Cb -0.12 1.53 0.09 0.00 -0.43 0.00 0.00 46.19 47.26 3iv6 s LEU 94 CO 0.19 -0.42 0.20 -0.62 -0.29 0.00 0.00 176.35 175.41 3iv6 s ASP 95 N -1.00 5.37 0.34 3.68 -1.08 -1.26 -2.27 116.67 120.45 3iv6 s ASP 95 Ca -0.10 -1.72 0.18 0.00 -0.52 0.00 0.00 52.55 50.38 3iv6 s ASP 95 Cb -0.04 -1.88 0.97 0.00 -1.46 0.00 0.00 42.92 40.51 3iv6 s ASP 95 CO 0.05 -0.51 1.49 -0.29 0.52 0.00 0.00 175.17 176.43 3iv6 h ILE 96 N 6.26 0.00 -0.01 4.11 6.09 -1.96 0.48 117.51 132.48 3iv6 h ILE 96 Ca -0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 3iv6 h ILE 96 Cb 1.06 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.75 3iv6 h ILE 96 CO 0.71 0.00 -0.26 0.35 -3.07 0.00 0.00 178.15 175.88 3iv6 n THR 97 N -2.19 0.00 -2.96 2.19 -2.24 -1.26 -4.06 114.28 103.76 3iv6 n THR 97 Ca -0.01 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 3iv6 n THR 97 Cb 0.20 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3iv6 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iv6 s ALA 98 N -2.47 3.58 0.23 6.98 0.00 0.17 -4.75 121.76 125.49 3iv6 s ALA 98 Ca 0.25 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3iv6 s ALA 98 Cb 0.19 -2.32 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 3iv6 s ALA 98 CO 0.51 -0.28 1.33 -2.00 0.00 0.00 0.00 175.76 175.33 3iv6 s GLU 99 N -4.57 4.37 0.22 0.00 2.12 -1.26 -4.88 118.70 114.69 3iv6 s GLU 99 Ca 0.45 2.12 -0.30 0.00 0.36 0.00 0.00 54.97 57.60 3iv6 s GLU 99 Cb -0.10 -3.16 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 3iv6 s GLU 99 CO 0.40 -0.26 1.45 0.42 -0.54 0.00 0.00 175.26 176.72 3iv6 s ILE 100 N -0.12 2.74 0.24 -3.70 -1.09 -1.26 -4.98 121.20 113.04 3iv6 s ILE 100 Ca 0.56 0.60 -0.31 0.00 -2.23 0.00 0.00 60.65 59.26 3iv6 s ILE 100 Cb -0.38 -3.38 -0.12 0.00 -1.58 0.00 0.00 42.46 37.00 3iv6 s ILE 100 CO 0.41 0.08 1.63 -2.65 -1.23 0.00 0.00 174.94 173.18 3iv6 n PRO 101 N 2.74 2.62 -0.13 2.79 -0.02 -1.26 -4.87 135.00 136.88 3iv6 n PRO 101 Ca 0.08 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.68 3iv6 n PRO 101 Cb 0.40 -2.73 0.57 0.00 -0.02 0.00 0.00 33.50 31.72 3iv6 n PRO 101 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3iv6 h LYS 102 N 5.58 0.27 0.00 -0.52 2.10 -1.99 -0.41 116.57 121.60 3iv6 h LYS 102 Ca -0.45 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3iv6 h LYS 102 Cb 1.22 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3iv6 h LYS 102 CO 0.86 0.18 0.00 -0.85 -2.00 0.00 0.00 179.45 177.64 3iv6 n GLU 103 N -4.44 0.25 0.00 0.07 0.00 -1.26 -2.22 120.64 113.03 3iv6 n GLU 103 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3iv6 n GLU 103 Cb 0.59 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.61 3iv6 n GLU 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3iv6 n LEU 104 N -0.92 0.17 -4.73 -1.84 4.77 -0.16 -4.97 117.00 109.33 3iv6 n LEU 104 Ca 0.05 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 3iv6 n LEU 104 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3iv6 n LEU 104 CO 0.04 0.04 1.15 0.00 -1.33 0.00 0.00 177.39 177.29 3iv6 n ALA 105 N -0.66 2.14 -1.97 -1.18 0.00 -0.94 -2.39 120.51 115.50 3iv6 n ALA 105 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 3iv6 n ALA 105 Cb 0.01 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 3iv6 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv6 n GLY 106 N 1.77 0.32 0.06 0.00 0.00 -0.22 -4.84 105.19 102.30 3iv6 n GLY 106 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3iv6 n GLY 106 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3iv6 h HIS 107 N 0.00 0.00 -4.09 1.61 6.17 -0.67 -3.42 115.15 114.74 3iv6 h HIS 107 Ca -0.31 0.00 -0.69 0.00 0.71 0.00 0.00 60.37 60.08 3iv6 h HIS 107 Cb 1.09 0.00 -0.24 0.00 2.52 0.00 0.00 27.41 30.78 3iv6 h HIS 107 CO 0.55 0.00 -0.81 -0.06 0.71 0.00 0.00 177.93 178.31 3iv6 s PHE 108 N -3.20 2.55 0.16 5.26 0.08 -0.99 -4.94 117.98 116.89 3iv6 s PHE 108 Ca 0.05 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 3iv6 s PHE 108 Cb 0.13 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3iv6 s PHE 108 CO 0.75 0.19 1.41 -0.44 -0.10 0.00 0.00 175.22 177.03 3iv6 h ASP 109 N 4.88 0.66 -3.86 1.36 3.45 -1.04 -3.39 116.42 118.47 3iv6 h ASP 109 Ca -0.47 -0.41 -0.36 0.00 0.43 0.00 0.00 57.03 56.22 3iv6 h ASP 109 Cb 1.15 -0.19 -0.30 0.00 -0.56 0.00 0.00 39.33 39.43 3iv6 h ASP 109 CO 0.48 1.16 -0.77 -0.36 -1.57 0.00 0.00 179.24 178.19 3iv6 s PHE 110 N -3.76 0.63 -0.19 4.55 0.08 -0.68 -0.78 117.98 117.83 3iv6 s PHE 110 Ca -0.07 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.85 3iv6 s PHE 110 Cb 0.10 -0.45 0.02 0.00 -0.57 0.00 0.00 43.02 42.12 3iv6 s PHE 110 CO 0.86 -0.05 -0.17 0.08 -0.10 0.00 0.00 175.22 175.84 3iv6 s VAL 111 N 0.06 2.27 -0.04 -0.44 1.01 -0.44 -0.14 120.40 122.67 3iv6 s VAL 111 Ca -0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3iv6 s VAL 111 Cb -0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3iv6 s VAL 111 CO -0.00 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 3iv6 s LEU 112 N 1.32 3.23 -0.11 3.92 1.43 0.33 -0.26 118.68 128.53 3iv6 s LEU 112 Ca 0.05 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 3iv6 s LEU 112 Cb -0.13 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.38 3iv6 s LEU 112 CO -0.11 0.34 0.50 0.54 0.23 0.00 0.00 176.35 177.84 3iv6 s ASN 113 N -1.04 -0.47 -0.41 2.29 4.22 -0.57 -1.67 114.94 117.30 3iv6 s ASN 113 Ca 0.14 0.71 -0.08 0.00 -2.14 0.00 0.00 52.86 51.49 3iv6 s ASN 113 Cb -0.11 0.73 0.08 0.00 1.28 0.00 0.00 41.25 43.23 3iv6 s ASN 113 CO 0.04 -0.35 0.23 -0.62 -2.04 0.00 0.00 177.10 174.36 3iv6 s ASP 114 N -0.50 5.55 -1.37 3.54 2.15 -1.26 -1.86 116.67 122.91 3iv6 s ASP 114 Ca -0.06 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.42 3iv6 s ASP 114 Cb -0.03 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 3iv6 s ASP 114 CO 0.04 -0.51 0.00 0.54 -0.17 0.00 0.00 175.17 175.07 3iv6 n ARG 115 N 4.87 -1.26 0.08 4.34 1.74 -0.53 -4.89 116.66 121.01 3iv6 n ARG 115 Ca -0.10 0.78 -0.05 0.00 -0.77 0.00 0.00 57.85 57.71 3iv6 n ARG 115 Cb 0.43 -5.15 -0.08 0.00 -1.02 0.00 0.00 32.46 26.64 3iv6 n ARG 115 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3iv6 h LEU 116 N 0.00 0.00 -1.58 0.55 5.85 -1.84 -3.15 115.31 115.14 3iv6 h LEU 116 Ca -0.37 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3iv6 h LEU 116 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3iv6 h LEU 116 CO 0.45 0.91 -0.09 0.40 -0.34 0.00 0.00 178.44 179.77 3iv6 h ILE 117 N 0.00 0.28 0.00 4.05 2.04 -1.90 -1.21 117.51 120.77 3iv6 h ILE 117 Ca -0.01 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3iv6 h ILE 117 Cb 1.67 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3iv6 h ILE 117 CO 0.12 0.09 0.00 0.78 0.00 0.00 0.00 178.15 179.14 3iv6 h ASN 118 N 0.00 0.00 -0.26 1.72 4.21 -1.88 -2.11 115.58 117.26 3iv6 h ASN 118 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3iv6 h ASN 118 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3iv6 h ASN 118 CO 0.01 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.69 3iv6 n ARG 119 N -2.61 1.63 -4.35 0.81 5.12 -0.46 -4.53 116.66 112.27 3iv6 n ARG 119 Ca 0.03 -0.98 -0.25 0.00 -1.93 0.00 0.00 57.85 54.72 3iv6 n ARG 119 Cb 0.34 -1.23 -0.09 0.00 -1.16 0.00 0.00 32.46 30.32 3iv6 n ARG 119 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3iv6 s PHE 120 N -1.65 2.53 0.88 -1.55 0.08 -0.79 -4.93 117.98 112.55 3iv6 s PHE 120 Ca 0.20 -0.26 -0.14 0.00 0.12 0.00 0.00 56.93 56.84 3iv6 s PHE 120 Cb 0.10 -1.16 0.13 0.00 -0.57 0.00 0.00 43.02 41.53 3iv6 s PHE 120 CO 0.14 0.61 1.24 0.95 -0.10 0.00 0.00 175.22 178.06 3iv6 s THR 121 N -2.14 2.00 0.04 0.64 -4.23 -1.26 -0.90 115.64 109.79 3iv6 s THR 121 Ca 0.28 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.54 3iv6 s THR 121 Cb -0.07 -3.00 -0.17 0.00 1.34 0.00 0.00 72.50 70.60 3iv6 s THR 121 CO 0.16 0.00 1.51 0.74 -0.54 0.00 0.00 174.62 176.49 3iv6 h THR 122 N -1.32 0.97 -0.12 3.99 2.02 -1.95 0.16 112.91 116.66 3iv6 h THR 122 Ca -0.45 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 3iv6 h THR 122 Cb 1.29 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3iv6 h THR 122 CO 0.53 0.10 -0.12 1.05 0.37 0.00 0.00 175.52 177.45 3iv6 h GLU 123 N -0.36 0.18 -0.18 6.66 -0.00 -1.99 -0.71 114.58 118.18 3iv6 h GLU 123 Ca -0.02 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.28 3iv6 h GLU 123 Cb 0.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.01 3iv6 h GLU 123 CO 0.03 0.31 0.02 0.93 -0.00 0.00 0.00 179.01 180.31 3iv6 h GLU 124 N 0.17 0.30 -0.76 1.06 5.08 -1.90 -2.65 114.58 115.89 3iv6 h GLU 124 Ca 0.04 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3iv6 h GLU 124 Cb 0.33 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3iv6 h GLU 124 CO 0.02 0.47 0.50 0.00 -1.00 0.00 0.00 179.01 179.00 3iv6 h ALA 125 N 0.81 1.48 0.60 3.43 0.00 -0.27 0.07 119.26 125.38 3iv6 h ALA 125 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3iv6 h ALA 125 Cb 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iv6 h ALA 125 CO 0.00 0.48 -0.34 0.00 0.00 0.00 0.00 179.25 179.39 3iv6 h ARG 126 N 1.01 -0.85 -0.83 0.00 3.08 -1.10 -1.10 114.38 114.59 3iv6 h ARG 126 Ca 0.28 0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.56 3iv6 h ARG 126 Cb -0.09 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.05 3iv6 h ARG 126 CO -0.06 -0.57 0.36 0.00 -1.07 0.00 0.00 179.97 178.63 3iv6 h ARG 127 N -0.88 0.46 0.06 0.04 3.08 -1.14 -2.29 114.38 113.71 3iv6 h ARG 127 Ca -0.08 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3iv6 h ARG 127 Cb 0.70 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3iv6 h ARG 127 CO 0.10 0.30 -0.12 0.00 -1.07 0.00 0.00 179.97 179.18 3iv6 h ALA 128 N 1.61 -0.18 -0.33 0.04 0.00 -0.67 -1.45 119.26 118.27 3iv6 h ALA 128 Ca 0.48 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.41 3iv6 h ALA 128 Cb 0.78 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3iv6 h ALA 128 CO -0.44 -0.63 0.13 0.00 0.00 0.00 0.00 179.25 178.31 3iv6 h LEU 130 N 0.28 -0.49 -1.58 0.00 5.85 -1.40 -1.18 115.31 116.79 3iv6 h LEU 130 Ca 0.15 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3iv6 h LEU 130 Cb 0.10 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3iv6 h LEU 130 CO -0.14 -0.20 0.00 0.61 -0.34 0.00 0.00 178.44 178.38 3iv6 n GLY 131 N -1.43 0.00 1.19 3.75 0.00 0.18 -0.18 105.19 108.70 3iv6 n GLY 131 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3iv6 n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iv6 n LEU 133 N 0.71 0.00 -0.29 0.99 4.77 -0.45 -1.46 117.00 121.27 3iv6 n LEU 133 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3iv6 n LEU 133 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3iv6 n LEU 133 CO 0.00 0.00 1.11 -1.28 -1.33 0.00 0.00 177.39 175.89 3iv6 h SER 134 N 0.00 1.08 -0.42 -1.43 0.87 -0.81 -2.21 113.55 110.62 3iv6 h SER 134 Ca 0.00 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 3iv6 h SER 134 Cb 0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3iv6 h SER 134 CO 0.00 0.91 0.10 -0.07 -0.53 0.00 0.00 176.83 177.24 3iv6 h LEU 135 N 1.17 0.63 0.00 2.23 3.38 -1.50 -0.55 115.31 120.68 3iv6 h LEU 135 Ca 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iv6 h LEU 135 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3iv6 h LEU 135 CO -0.04 0.70 -0.33 1.33 0.09 0.00 0.00 178.44 180.19 3iv6 n VAL 136 N -4.55 0.38 0.00 1.22 0.24 -1.10 -0.96 118.33 113.57 3iv6 n VAL 136 Ca -0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3iv6 n VAL 136 Cb 0.21 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 3iv6 n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iv6 n GLY 137 N 1.36 0.47 1.46 7.63 0.00 -0.85 0.21 105.19 115.47 3iv6 n GLY 137 Ca 0.05 0.74 0.08 0.00 0.00 0.00 0.00 46.02 46.89 3iv6 n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iv6 n SER 138 N 5.28 4.75 -2.18 1.61 3.41 -1.26 -4.59 113.62 120.64 3iv6 n SER 138 Ca 0.00 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 3iv6 n SER 138 Cb 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3iv6 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iv6 n GLY 139 N 0.57 -0.24 3.52 5.00 0.00 0.13 -4.94 105.19 109.23 3iv6 n GLY 139 Ca 0.24 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3iv6 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iv6 s THR 140 N 0.08 3.34 -0.15 2.61 2.01 0.04 -4.64 115.64 118.93 3iv6 s THR 140 Ca 0.00 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 3iv6 s THR 140 Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3iv6 s THR 140 CO 0.00 0.59 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 3iv6 s VAL 141 N -0.71 3.96 -0.24 3.82 1.01 -0.22 -1.33 120.40 126.69 3iv6 s VAL 141 Ca 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3iv6 s VAL 141 Cb -0.11 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3iv6 s VAL 141 CO 0.01 0.50 -0.12 -0.13 0.00 0.00 0.00 175.10 175.36 3iv6 s ARG 142 N 0.31 2.61 -0.13 2.72 0.52 0.64 -1.20 118.95 124.43 3iv6 s ARG 142 Ca -0.03 -1.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.06 3iv6 s ARG 142 Cb -0.14 -2.84 0.04 0.00 0.52 0.00 0.00 34.95 32.52 3iv6 s ARG 142 CO 0.03 -0.43 -0.03 0.00 0.02 0.00 0.00 175.30 174.89 3iv6 s ALA 143 N 1.22 1.11 0.17 2.13 0.00 0.11 -1.51 121.76 124.99 3iv6 s ALA 143 Ca -0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 3iv6 s ALA 143 Cb -0.17 -0.96 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 3iv6 s ALA 143 CO -0.07 -0.65 0.50 -1.54 0.00 0.00 0.00 175.76 174.00 3iv6 s SER 144 N 1.80 6.66 -0.04 0.00 1.04 -0.78 -1.30 113.70 121.08 3iv6 s SER 144 Ca 0.03 0.90 0.01 0.00 0.48 0.00 0.00 55.95 57.37 3iv6 s SER 144 Cb -0.14 -2.22 0.02 0.00 0.10 0.00 0.00 66.02 63.78 3iv6 s SER 144 CO -0.07 0.03 -0.06 -0.69 0.98 0.00 0.00 173.24 173.43 3iv6 s VAL 145 N -1.64 0.65 0.10 5.02 1.01 -1.26 -1.46 120.40 122.83 3iv6 s VAL 145 Ca 0.42 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 3iv6 s VAL 145 Cb -0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 3iv6 s VAL 145 CO 0.21 0.24 1.16 -0.75 0.00 0.00 0.00 175.10 175.96 3iv6 s LYS 146 N 0.77 4.49 0.00 2.72 2.20 -1.26 -4.50 119.74 124.15 3iv6 s LYS 146 Ca -0.11 1.75 0.04 0.00 -0.36 0.00 0.00 55.97 57.28 3iv6 s LYS 146 Cb -0.14 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 3iv6 s LYS 146 CO 0.01 -0.14 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.25 3iv6 s LEU 147 N 0.55 3.01 0.00 5.43 1.43 -0.80 -4.54 118.68 123.75 3iv6 s LEU 147 Ca 0.55 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3iv6 s LEU 147 Cb -0.29 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3iv6 s LEU 147 CO 0.31 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.79 3iv6 n GLY 148 N 1.68 -1.37 3.84 -3.19 0.00 0.69 -4.87 105.19 101.97 3iv6 n GLY 148 Ca -0.16 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 3iv6 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iv6 s PHE 149 N 0.00 3.40 0.67 1.61 0.08 -1.26 -4.52 117.98 117.96 3iv6 s PHE 149 Ca 0.00 1.26 -0.11 0.00 0.12 0.00 0.00 56.93 58.19 3iv6 s PHE 149 Cb 0.00 -2.56 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 3iv6 s PHE 149 CO 0.00 0.11 1.05 0.71 -0.10 0.00 0.00 175.22 176.99 3iv6 s TYR 150 N -1.95 3.19 0.18 0.36 2.02 -1.26 -4.93 117.35 114.97 3iv6 s TYR 150 Ca 0.53 1.41 -0.12 0.00 -0.37 0.00 0.00 57.07 58.52 3iv6 s TYR 150 Cb -0.11 -2.86 0.16 0.00 -0.40 0.00 0.00 41.96 38.75 3iv6 s TYR 150 CO 0.17 -1.12 1.77 -0.44 -1.57 0.00 0.00 175.55 174.37 3iv6 h ASP 151 N -0.52 0.31 -0.15 2.29 3.45 -2.00 0.19 116.42 119.98 3iv6 h ASP 151 Ca -0.44 0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.11 3iv6 h ASP 151 Cb 1.21 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 3iv6 h ASP 151 CO 0.58 0.21 0.22 -0.29 -1.57 0.00 0.00 179.24 178.39 3iv6 h ILE 152 N 0.46 0.33 -0.20 0.35 2.10 -1.94 -1.69 117.51 116.92 3iv6 h ILE 152 Ca 0.24 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 66.07 3iv6 h ILE 152 Cb 0.19 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 36.73 3iv6 h ILE 152 CO -0.19 0.00 -0.29 0.44 -1.08 0.00 0.00 178.15 177.02 3iv6 h ASP 153 N 0.00 0.61 -0.72 2.19 3.32 -0.98 -0.45 116.42 120.38 3iv6 h ASP 153 Ca 0.07 -0.52 0.06 0.00 0.02 0.00 0.00 57.03 56.67 3iv6 h ASP 153 Cb 0.52 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 3iv6 h ASP 153 CO -0.00 1.01 0.42 -0.07 -1.72 0.00 0.00 179.24 178.87 3iv6 h LEU 154 N 0.23 0.63 -0.90 1.55 3.38 -1.11 0.16 115.31 119.25 3iv6 h LEU 154 Ca 0.02 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3iv6 h LEU 154 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3iv6 h LEU 154 CO 0.07 0.40 0.06 0.11 0.09 0.00 0.00 178.44 179.17 3iv6 h LYS 155 N 0.76 0.87 -0.09 1.13 1.79 -1.41 -2.38 116.57 117.24 3iv6 h LYS 155 Ca 0.32 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3iv6 h LYS 155 Cb 0.19 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3iv6 h LYS 155 CO -0.18 0.83 0.06 -0.07 -1.08 0.00 0.00 179.45 179.01 3iv6 h LEU 156 N 0.82 0.11 -0.08 2.94 3.38 0.68 -0.25 115.31 122.92 3iv6 h LEU 156 Ca 0.17 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3iv6 h LEU 156 Cb 0.41 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3iv6 h LEU 156 CO 0.01 0.13 -0.15 0.40 0.09 0.00 0.00 178.44 178.92 3iv6 h ILE 157 N 0.08 0.61 0.81 1.22 1.08 -0.78 -2.28 117.51 118.25 3iv6 h ILE 157 Ca 0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 3iv6 h ILE 157 Cb 0.04 0.61 0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3iv6 h ILE 157 CO -0.01 0.00 -0.42 -0.08 -0.69 0.00 0.00 178.15 176.96 3iv6 h GLU 158 N -0.21 -1.08 0.00 2.37 4.81 -1.18 -1.03 114.58 118.26 3iv6 h GLU 158 Ca 0.08 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3iv6 h GLU 158 Cb 0.32 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3iv6 h GLU 158 CO -0.20 -0.72 0.00 0.66 -0.73 0.00 0.00 179.01 178.02 3iv6 n TYR 159 N -5.10 0.00 0.05 0.92 4.01 -0.13 -2.08 117.16 114.83 3iv6 n TYR 159 Ca -0.14 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.68 3iv6 n TYR 159 Cb 0.45 -0.31 -0.12 0.00 -0.31 0.00 0.00 39.34 39.05 3iv6 n TYR 159 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iv6 n GLY 160 N 0.38 -0.70 0.11 2.72 0.00 -0.86 -3.82 105.19 103.02 3iv6 n GLY 160 Ca 0.09 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3iv6 n GLY 160 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iv6 h GLU 161 N 0.00 -0.13 -0.42 1.61 4.57 -0.61 0.68 114.58 120.28 3iv6 h GLU 161 Ca 0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 3iv6 h GLU 161 Cb 0.69 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 3iv6 h GLU 161 CO 0.00 0.37 0.40 1.96 -1.18 0.00 0.00 179.01 180.56 3iv6 h GLN 162 N -0.85 0.00 0.00 1.92 4.20 -1.63 0.43 115.11 119.17 3iv6 h GLN 162 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3iv6 h GLN 162 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3iv6 h GLN 162 CO 0.02 0.00 -0.97 0.45 -0.67 0.00 0.00 178.83 177.66 3iv6 n SER 163 N -3.92 0.62 -1.36 1.46 2.88 -1.23 -4.96 113.62 107.12 3iv6 n SER 163 Ca 0.07 -0.16 -0.17 0.00 -1.33 0.00 0.00 58.87 57.28 3iv6 n SER 163 Cb 0.58 0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 64.68 3iv6 n SER 163 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iv6 n GLY 164 N 1.36 1.61 0.71 0.46 0.00 0.15 -4.86 105.19 104.62 3iv6 n GLY 164 Ca 0.02 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3iv6 n GLY 164 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iv6 n THR 165 N -2.58 0.00 -0.18 2.61 -2.24 0.11 -4.69 114.28 107.31 3iv6 n THR 165 Ca -0.17 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.23 3iv6 n THR 165 Cb 0.57 1.22 0.09 0.00 -2.10 0.00 0.00 70.33 70.11 3iv6 n THR 165 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3iv6 h LEU 166 N 3.48 0.13 -2.63 3.22 5.85 -1.54 0.25 115.31 124.07 3iv6 h LEU 166 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3iv6 h LEU 166 Cb 0.83 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3iv6 h LEU 166 CO 0.00 0.09 0.04 0.00 -0.34 0.00 0.00 178.44 178.23 3iv6 h ALA 167 N 1.40 1.35 0.00 1.25 0.00 -1.84 -0.79 119.26 120.64 3iv6 h ALA 167 Ca 0.28 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3iv6 h ALA 167 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iv6 h ALA 167 CO -0.31 -0.05 -0.29 -0.22 0.00 0.00 0.00 179.25 178.38 3iv6 h LYS 168 N 0.00 0.00 0.00 0.00 3.64 -0.84 -3.34 116.57 116.03 3iv6 h LYS 168 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3iv6 h LYS 168 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3iv6 h LYS 168 CO -0.00 0.29 0.00 1.97 -2.27 0.00 0.00 179.45 179.44 3iv6 n PHE 169 N -3.61 0.00 -3.80 1.91 -1.74 -1.01 -4.89 117.46 104.32 3iv6 n PHE 169 Ca -0.01 -0.04 -0.23 0.00 -0.56 0.00 0.00 57.45 56.62 3iv6 n PHE 169 Cb 0.42 -0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.24 3iv6 n PHE 169 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 3iv6 s PHE 170 N -0.08 0.67 -0.41 2.97 5.36 -0.33 0.43 117.98 126.57 3iv6 s PHE 170 Ca 0.00 -0.17 -0.13 0.00 -0.96 0.00 0.00 56.93 55.67 3iv6 s PHE 170 Cb 0.00 -0.78 0.04 0.00 -0.34 0.00 0.00 43.02 41.94 3iv6 s PHE 170 CO 0.00 -0.31 0.29 0.34 -1.46 0.00 0.00 175.22 174.07 3iv6 s ASP 171 N 1.86 5.93 0.52 6.13 -1.08 -0.45 -4.45 116.67 125.13 3iv6 s ASP 171 Ca 0.03 -1.11 0.31 0.00 -0.52 0.00 0.00 52.55 51.26 3iv6 s ASP 171 Cb -0.12 -2.10 1.09 0.00 -1.46 0.00 0.00 42.92 40.33 3iv6 s ASP 171 CO -0.05 -0.49 1.88 -0.65 0.52 0.00 0.00 175.17 176.39 3iv6 h PRO 172 N 8.56 0.00 -0.61 4.34 0.11 -1.95 0.16 132.00 142.61 3iv6 h PRO 172 Ca -0.26 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.98 3iv6 h PRO 172 Cb 1.11 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 3iv6 h PRO 172 CO 0.75 0.01 -0.03 0.66 -0.21 0.00 0.00 178.00 179.18 3iv6 h SER 173 N 0.00 -0.32 0.00 -2.05 4.64 -1.98 -3.21 113.55 110.63 3iv6 h SER 173 Ca -0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3iv6 h SER 173 Cb 0.65 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3iv6 h SER 173 CO 0.00 -0.13 -0.08 -0.90 -0.87 0.00 0.00 176.83 174.85 3iv6 n ASP 174 N -5.31 1.13 -3.01 4.97 5.75 -1.22 -5.05 116.55 113.82 3iv6 n ASP 174 Ca 0.09 -1.88 -0.14 0.00 -0.01 0.00 0.00 54.79 52.85 3iv6 n ASP 174 Cb 0.35 -0.11 0.07 0.00 -1.03 0.00 0.00 41.12 40.40 3iv6 n ASP 174 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3iv6 n LYS 175 N -0.43 -4.88 -3.98 0.11 5.02 0.51 -4.27 118.16 110.24 3iv6 n LYS 175 Ca 0.03 0.71 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 3iv6 n LYS 175 Cb 0.47 -5.27 -0.09 0.00 -0.02 0.00 0.00 35.03 30.12 3iv6 n LYS 175 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iv6 s THR 176 N -3.30 4.87 -0.10 -0.18 2.01 -0.86 -0.49 115.64 117.60 3iv6 s THR 176 Ca 0.07 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 3iv6 s THR 176 Cb -0.01 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 3iv6 s THR 176 CO 0.61 0.47 0.21 -0.36 -0.69 0.00 0.00 174.62 174.86 3iv6 s PHE 177 N 0.27 3.61 -0.42 4.92 0.08 0.58 -1.35 117.98 125.67 3iv6 s PHE 177 Ca 0.04 0.63 -0.05 0.00 0.12 0.00 0.00 56.93 57.68 3iv6 s PHE 177 Cb -0.12 -2.06 0.11 0.00 -0.57 0.00 0.00 43.02 40.38 3iv6 s PHE 177 CO 0.00 0.66 0.24 -1.58 -0.10 0.00 0.00 175.22 174.44 3iv6 s HIS 178 N -0.87 3.52 0.05 0.36 5.65 0.17 -0.76 115.29 123.41 3iv6 s HIS 178 Ca 0.17 -2.19 -0.19 0.00 0.25 0.00 0.00 55.06 53.10 3iv6 s HIS 178 Cb -0.13 -3.26 -0.13 0.00 -1.18 0.00 0.00 32.58 27.89 3iv6 s HIS 178 CO 0.06 -0.97 1.39 0.74 -0.65 0.00 0.00 174.74 175.31 3iv6 h PHE 179 N 8.19 0.48 0.00 3.88 0.04 -1.82 -2.54 116.94 125.17 3iv6 h PHE 179 Ca -0.16 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.48 3iv6 h PHE 179 Cb 1.06 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.10 3iv6 h PHE 179 CO 0.58 0.75 0.00 -2.13 -0.60 0.00 0.00 178.31 176.91 3iv6 n ARG 180 N -4.54 0.06 0.00 1.51 0.63 -1.26 -1.43 116.66 111.62 3iv6 n ARG 180 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3iv6 n ARG 180 Cb 0.35 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.02 3iv6 n ARG 180 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3iv6 n GLU 181 N -0.74 1.40 0.06 -0.14 -0.58 -0.97 -4.31 120.64 115.36 3iv6 n GLU 181 Ca 0.01 -0.17 0.13 0.00 -0.42 0.00 0.00 57.16 56.71 3iv6 n GLU 181 Cb 0.00 -0.58 0.49 0.00 -0.57 0.00 0.00 31.44 30.79 3iv6 n GLU 181 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iv6 n ALA 182 N -0.25 2.26 -0.14 0.62 0.00 -0.52 -4.49 120.51 117.99 3iv6 n ALA 182 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3iv6 n ALA 182 Cb 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3iv6 n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv6 n GLY 183 N 1.29 1.95 0.26 0.00 0.00 -1.24 -1.69 105.19 105.76 3iv6 n GLY 183 Ca 0.06 0.51 0.14 0.00 0.00 0.00 0.00 46.02 46.72 3iv6 n GLY 183 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3iv6 h ASP 184 N 0.00 0.00 -0.14 1.61 3.58 -1.94 -1.67 116.42 117.86 3iv6 h ASP 184 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 3iv6 h ASP 184 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3iv6 h ASP 184 CO 0.00 0.12 -0.22 0.58 -2.88 0.00 0.00 179.24 176.83 3iv6 h VAL 185 N 0.00 1.26 0.13 2.25 2.07 -1.66 -3.18 116.25 117.13 3iv6 h VAL 185 Ca -0.00 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.28 3iv6 h VAL 185 Cb 0.49 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3iv6 h VAL 185 CO 0.02 0.41 -0.33 0.25 0.02 0.00 0.00 177.57 177.94 3iv6 h LEU 186 N 0.51 -0.94 -0.86 2.57 5.85 -1.45 -1.92 115.31 119.08 3iv6 h LEU 186 Ca 0.08 0.11 0.22 0.00 0.84 0.00 0.00 57.88 59.12 3iv6 h LEU 186 Cb 0.67 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 41.92 3iv6 h LEU 186 CO 0.05 -0.42 0.28 0.44 -0.34 0.00 0.00 178.44 178.45 3iv6 h ASP 187 N -0.56 0.11 1.12 1.25 5.19 -1.66 -0.20 116.42 121.66 3iv6 h ASP 187 Ca 0.03 0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 3iv6 h ASP 187 Cb 0.58 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3iv6 h ASP 187 CO -0.18 -0.09 -0.18 -0.09 -3.12 0.00 0.00 179.24 175.57 3iv6 h ARG 188 N 0.27 0.00 0.00 3.56 2.43 -1.39 -3.20 114.38 116.06 3iv6 h ARG 188 Ca 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 3iv6 h ARG 188 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3iv6 h ARG 188 CO -0.60 0.18 -1.49 0.00 -1.51 0.00 0.00 179.97 176.56 3iv6 n ALA 189 N -2.18 3.49 -1.61 2.80 0.00 -0.14 -4.97 120.51 117.90 3iv6 n ALA 189 Ca 0.01 -0.51 -0.48 0.00 0.00 0.00 0.00 53.44 52.46 3iv6 n ALA 189 Cb 0.45 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 3iv6 n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iv6 n LEU 190 N -2.00 1.99 -4.60 0.00 4.77 -0.86 -4.71 117.00 111.59 3iv6 n LEU 190 Ca -0.00 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.85 3iv6 n LEU 190 Cb 0.47 -1.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.19 3iv6 n LEU 190 CO 0.44 -1.02 -0.32 0.68 -1.33 0.00 0.00 177.39 175.83 3iv6 s VAL 191 N -0.01 2.26 0.03 4.08 -7.23 -1.26 -5.08 120.40 113.19 3iv6 s VAL 191 Ca 0.74 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 3iv6 s VAL 191 Cb -0.81 -2.81 -0.07 0.00 0.56 0.00 0.00 36.38 33.25 3iv6 s VAL 191 CO 0.50 -0.12 1.62 -2.84 -0.31 0.00 0.00 175.10 173.95 3iv6 s PRO 192 N -3.69 4.21 -0.78 4.82 0.02 -1.26 -4.94 135.00 133.38 3iv6 s PRO 192 Ca 0.34 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.64 3iv6 s PRO 192 Cb 0.04 -3.69 0.19 0.00 0.02 0.00 0.00 34.50 31.06 3iv6 s PRO 192 CO 0.18 -0.74 0.60 -1.58 -0.33 0.00 0.00 177.00 175.13 3iv6 s HIS 193 N 2.93 3.70 0.00 6.54 2.46 -1.26 -4.92 115.29 124.74 3iv6 s HIS 193 Ca 0.73 -3.24 0.00 0.00 0.47 0.00 0.00 55.06 53.01 3iv6 s HIS 193 Cb -0.37 -2.90 0.00 0.00 -0.13 0.00 0.00 32.58 29.18 3iv6 s HIS 193 CO 0.31 -0.61 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 3iv6 n GLY 194 N 2.07 3.35 0.09 1.59 0.00 -1.26 -2.96 105.19 108.07 3iv6 n GLY 194 Ca 0.21 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3iv6 n GLY 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iv6 n LEU 195 N 0.00 2.05 -4.74 0.99 4.77 0.69 -4.86 117.00 115.89 3iv6 n LEU 195 Ca 0.00 -2.65 -0.41 0.00 -0.03 0.00 0.00 56.01 52.92 3iv6 n LEU 195 Cb 0.00 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3iv6 n LEU 195 CO 0.00 0.62 0.90 -0.63 -1.33 0.00 0.00 177.39 176.95 3iv6 s ILE 196 N -2.23 3.41 0.73 -0.08 1.01 -1.15 -5.02 121.20 117.87 3iv6 s ILE 196 Ca 0.23 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.99 3iv6 s ILE 196 Cb 0.20 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.91 3iv6 s ILE 196 CO 0.02 0.22 1.08 1.51 0.00 0.00 0.00 174.94 177.77 3iv6 s ASP 197 N -0.02 5.15 0.18 3.58 3.84 -1.26 -4.68 116.67 123.46 3iv6 s ASP 197 Ca 0.52 1.30 -0.13 0.00 -0.00 0.00 0.00 52.55 54.24 3iv6 s ASP 197 Cb -0.34 -2.11 0.11 0.00 -1.38 0.00 0.00 42.92 39.20 3iv6 s ASP 197 CO 0.39 -1.55 1.83 0.11 -0.00 0.00 0.00 175.17 175.95 3iv6 h LYS 198 N -0.80 0.68 -0.96 2.11 6.56 -1.99 -1.46 116.57 120.70 3iv6 h LYS 198 Ca -0.45 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.20 3iv6 h LYS 198 Cb 1.25 -0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 32.68 3iv6 h LYS 198 CO 0.61 0.45 0.61 -1.35 -2.06 0.00 0.00 179.45 177.71 3iv6 h PRO 199 N 0.70 0.93 -0.06 3.15 0.11 -2.00 -1.36 132.00 133.47 3iv6 h PRO 199 Ca 0.22 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.08 3iv6 h PRO 199 Cb -0.01 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 3iv6 h PRO 199 CO -0.08 0.62 -0.77 1.15 -0.21 0.00 0.00 178.00 178.71 3iv6 h THR 200 N 0.96 1.38 0.68 -1.15 2.02 -1.75 -2.69 112.91 112.37 3iv6 h THR 200 Ca 0.46 -2.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 3iv6 h THR 200 Cb 0.44 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3iv6 h THR 200 CO -0.22 0.66 -0.33 -0.07 0.37 0.00 0.00 175.52 175.93 3iv6 h LEU 201 N 0.27 -0.78 -0.83 2.58 3.38 -0.49 -1.68 115.31 117.76 3iv6 h LEU 201 Ca -0.04 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.10 3iv6 h LEU 201 Cb 1.36 0.20 -0.16 0.00 0.09 0.00 0.00 40.66 42.15 3iv6 h LEU 201 CO 0.13 -0.41 -0.20 0.25 0.09 0.00 0.00 178.44 178.30 3iv6 h LEU 202 N -1.18 -0.77 -0.21 1.67 5.85 -1.35 0.35 115.31 119.67 3iv6 h LEU 202 Ca -0.09 0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3iv6 h LEU 202 Cb 0.73 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3iv6 h LEU 202 CO 0.15 -0.27 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.85 3iv6 h GLU 203 N 0.00 0.41 -0.60 1.25 4.57 -1.42 -0.62 114.58 118.16 3iv6 h GLU 203 Ca 0.40 -0.15 0.12 0.00 -1.18 0.00 0.00 59.36 58.55 3iv6 h GLU 203 Cb 0.61 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.08 3iv6 h GLU 203 CO -0.85 0.65 0.04 2.35 -1.18 0.00 0.00 179.01 180.01 3iv6 h TRP 204 N 0.13 0.03 -0.39 0.92 7.01 -0.11 0.52 115.95 124.07 3iv6 h TRP 204 Ca 0.05 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 3iv6 h TRP 204 Cb 0.50 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 3iv6 h TRP 204 CO 0.05 -0.13 0.18 1.88 -2.79 0.00 0.00 178.44 177.63 3iv6 h TYR 205 N 0.15 0.57 -0.41 2.65 0.05 -0.11 -2.25 116.97 117.62 3iv6 h TYR 205 Ca 0.32 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 3iv6 h TYR 205 Cb 0.51 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3iv6 h TYR 205 CO -0.33 0.48 0.00 0.00 -1.05 0.00 0.00 178.16 177.26 3iv6 h ARG 206 N 0.49 0.66 0.00 4.88 3.08 -0.47 -1.96 114.38 121.05 3iv6 h ARG 206 Ca 0.13 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3iv6 h ARG 206 Cb 0.13 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3iv6 h ARG 206 CO -0.02 0.67 0.00 0.54 -1.07 0.00 0.00 179.97 180.10 3iv6 n ARG 207 N -4.25 0.07 0.13 0.04 1.74 0.12 -3.69 116.66 110.82 3iv6 n ARG 207 Ca 0.02 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 3iv6 n ARG 207 Cb 0.27 -1.58 0.27 0.00 -1.02 0.00 0.00 32.46 30.40 3iv6 n ARG 207 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iv6 h ARG 208 N 0.00 0.00 0.00 5.56 3.08 -0.73 -3.39 114.38 118.89 3iv6 h ARG 208 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iv6 h ARG 208 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3iv6 h ARG 208 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3iv6 n GLY 209 N 1.24 0.41 3.84 0.04 0.00 -1.24 -4.76 105.19 104.73 3iv6 n GLY 209 Ca 0.04 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 3iv6 n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iv6 s LYS 210 N 0.00 4.01 -0.02 1.61 1.02 -1.26 -3.17 119.74 121.94 3iv6 s LYS 210 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.55 3iv6 s LYS 210 Cb 0.00 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3iv6 s LYS 210 CO 0.00 0.40 0.00 -1.21 -0.92 0.00 0.00 175.35 173.62 3iv6 s GLU 211 N -2.22 0.13 -0.01 1.68 2.02 0.06 -4.28 118.70 116.09 3iv6 s GLU 211 Ca 0.42 0.06 -0.11 0.00 0.02 0.00 0.00 54.97 55.36 3iv6 s GLU 211 Cb -0.14 -0.27 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 3iv6 s GLU 211 CO 0.20 -0.08 0.34 0.99 0.02 0.00 0.00 175.26 176.73 3iv6 s THR 212 N 0.63 5.16 -0.04 3.63 2.01 -0.08 -0.31 115.64 126.64 3iv6 s THR 212 Ca -0.06 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.45 3iv6 s THR 212 Cb -0.08 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3iv6 s THR 212 CO -0.01 0.51 0.23 -0.13 -0.69 0.00 0.00 174.62 174.52 3iv6 s ARG 213 N -1.30 3.55 0.03 4.92 1.81 0.36 -4.86 118.95 123.45 3iv6 s ARG 213 Ca 0.24 -0.07 0.09 0.00 -1.72 0.00 0.00 55.73 54.27 3iv6 s ARG 213 Cb -0.15 -3.14 -0.03 0.00 -0.45 0.00 0.00 34.95 31.19 3iv6 s ARG 213 CO 0.13 0.70 -0.25 -0.06 -0.68 0.00 0.00 175.30 175.14 3iv6 s PHE 214 N -1.18 2.23 0.38 -0.53 0.08 -1.26 -4.76 117.98 112.94 3iv6 s PHE 214 Ca 0.23 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.94 3iv6 s PHE 214 Cb -0.13 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3iv6 s PHE 214 CO 0.12 0.07 0.45 -0.51 -0.10 0.00 0.00 175.22 175.26 3iv6 s ASP 215 N -1.04 5.53 0.23 1.36 1.01 -1.26 -0.22 116.67 122.28 3iv6 s ASP 215 Ca 0.11 -0.45 -0.06 0.00 0.71 0.00 0.00 52.55 52.85 3iv6 s ASP 215 Cb -0.10 -0.83 0.40 0.00 1.01 0.00 0.00 42.92 43.40 3iv6 s ASP 215 CO 0.01 -0.58 1.71 -0.78 0.21 0.00 0.00 175.17 175.74 3iv6 h ASP 216 N 0.90 0.13 0.05 0.27 3.58 -1.98 0.37 116.42 119.74 3iv6 h ASP 216 Ca -0.43 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 3iv6 h ASP 216 Cb 1.27 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.45 3iv6 h ASP 216 CO 0.52 0.04 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.57 3iv6 h GLU 217 N 0.35 0.00 -0.00 0.28 4.39 -1.99 -2.08 114.58 115.52 3iv6 h GLU 217 Ca 0.38 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.86 3iv6 h GLU 217 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3iv6 h GLU 217 CO -0.42 0.02 -0.92 -0.44 -1.16 0.00 0.00 179.01 176.09 3iv6 h ASP 218 N 0.00 0.49 -0.07 1.42 3.32 -0.66 -1.53 116.42 119.39 3iv6 h ASP 218 Ca -0.00 -0.39 -0.18 0.00 0.02 0.00 0.00 57.03 56.48 3iv6 h ASP 218 Cb 0.05 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3iv6 h ASP 218 CO 0.00 1.18 -0.60 0.58 -1.72 0.00 0.00 179.24 178.69 3iv6 h VAL 219 N 0.22 1.31 -0.64 -1.35 2.07 -0.90 -1.59 116.25 115.37 3iv6 h VAL 219 Ca -0.07 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.52 3iv6 h VAL 219 Cb 1.55 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3iv6 h VAL 219 CO 0.16 0.58 0.06 0.03 0.02 0.00 0.00 177.57 178.41 3iv6 h ARG 220 N 0.50 1.09 -0.49 1.57 3.08 -1.36 -2.16 114.38 116.62 3iv6 h ARG 220 Ca -0.00 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 3iv6 h ARG 220 Cb 1.18 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3iv6 h ARG 220 CO 0.12 1.03 0.08 0.00 -1.07 0.00 0.00 179.97 180.12 3iv6 h ALA 221 N 1.02 1.22 -0.13 0.04 0.00 -1.14 -2.50 119.26 117.77 3iv6 h ALA 221 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3iv6 h ALA 221 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iv6 h ALA 221 CO 0.02 0.53 0.03 1.25 0.00 0.00 0.00 179.25 181.08 3iv6 h LEU 222 N 0.72 0.20 -1.76 0.00 5.85 -1.05 -2.53 115.31 116.74 3iv6 h LEU 222 Ca 0.16 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3iv6 h LEU 222 Cb 0.33 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3iv6 h LEU 222 CO 0.01 0.39 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.26 3iv6 h LEU 223 N 0.01 0.00 -1.55 2.25 3.38 -1.27 -2.72 115.31 115.41 3iv6 h LEU 223 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iv6 h LEU 223 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iv6 h LEU 223 CO 0.00 0.16 -0.02 -1.54 0.09 0.00 0.00 178.44 177.13 3iv6 n SER 224 N -4.02 2.43 -4.77 -0.43 3.41 -0.95 -4.70 113.62 104.59 3iv6 n SER 224 Ca -0.02 -1.80 -0.40 0.00 -0.26 0.00 0.00 58.87 56.39 3iv6 n SER 224 Cb 0.25 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3iv6 n SER 224 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iv6 s HIS 225 N -2.02 2.99 0.46 7.33 5.04 -0.96 -4.85 115.29 123.28 3iv6 s HIS 225 Ca 0.31 1.44 0.28 0.00 -1.54 0.00 0.00 55.06 55.55 3iv6 s HIS 225 Cb 0.20 -3.63 1.34 0.00 0.04 0.00 0.00 32.58 30.53 3iv6 s HIS 225 CO 0.32 -1.83 1.75 -0.44 -2.34 0.00 0.00 174.74 172.20 3iv6 h ASP 226 N 3.09 0.24 -0.09 9.88 3.32 -1.91 -0.10 116.42 130.86 3iv6 h ASP 226 Ca -0.49 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 3iv6 h ASP 226 Cb 1.23 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3iv6 h ASP 226 CO 0.64 0.00 -0.31 0.58 -1.72 0.00 0.00 179.24 178.43 3iv6 h VAL 227 N 0.19 1.28 0.00 -1.35 2.07 -1.93 -1.27 116.25 115.25 3iv6 h VAL 227 Ca 0.64 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3iv6 h VAL 227 Cb 2.05 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3iv6 h VAL 227 CO -0.21 0.45 -0.46 0.58 0.02 0.00 0.00 177.57 177.95 3iv6 h VAL 228 N 0.49 0.00 -0.49 2.57 2.07 -1.33 -3.23 116.25 116.33 3iv6 h VAL 228 Ca 0.06 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3iv6 h VAL 228 Cb 0.78 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3iv6 h VAL 228 CO 0.06 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.24 3iv6 n ASN 229 N -2.67 3.64 0.30 0.57 3.02 -0.77 -4.50 115.26 114.85 3iv6 n ASN 229 Ca 0.03 -2.20 0.18 0.00 -0.03 0.00 0.00 54.58 52.56 3iv6 n ASN 229 Cb 0.51 -0.40 0.92 0.00 -0.61 0.00 0.00 39.78 40.20 3iv6 n ASN 229 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iv6 h ALA 230 N 2.95 1.14 -0.78 5.41 0.00 -1.25 -2.84 119.26 123.88 3iv6 h ALA 230 Ca 0.00 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 3iv6 h ALA 230 Cb 1.01 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 3iv6 h ALA 230 CO 0.07 0.05 -0.88 0.54 0.00 0.00 0.00 179.25 179.03 3iv6 n ARG 231 N -3.34 3.18 0.00 0.00 1.74 -1.26 -5.06 116.66 111.92 3iv6 n ARG 231 Ca -0.02 -4.06 0.00 0.00 -0.77 0.00 0.00 57.85 53.00 3iv6 n ARG 231 Cb 0.18 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 3iv6 n ARG 231 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iv6 n GLY 232 N -0.65 3.29 3.81 -0.13 0.00 -1.07 -5.07 105.19 105.37 3iv6 n GLY 232 Ca 0.36 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 3iv6 n GLY 232 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iv6 s TYR 233 N -2.54 3.71 0.19 1.61 2.02 -1.26 -4.41 117.35 116.66 3iv6 s TYR 233 Ca 0.00 1.03 -0.11 0.00 -0.37 0.00 0.00 57.07 57.63 3iv6 s TYR 233 Cb 0.00 -2.37 -0.07 0.00 -0.40 0.00 0.00 41.96 39.12 3iv6 s TYR 233 CO 0.00 0.56 0.52 0.08 -1.57 0.00 0.00 175.55 175.15 3iv6 s VAL 234 N -0.83 4.94 -0.12 0.71 1.01 -1.26 -4.08 120.40 120.77 3iv6 s VAL 234 Ca 0.25 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3iv6 s VAL 234 Cb -0.17 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.58 3iv6 s VAL 234 CO 0.14 0.06 -0.09 -0.89 0.00 0.00 0.00 175.10 174.32 3iv6 s THR 235 N -1.66 1.15 -0.58 3.92 2.01 0.12 -4.98 115.64 115.62 3iv6 s THR 235 Ca 0.43 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 3iv6 s THR 235 Cb -0.13 -1.14 0.05 0.00 0.01 0.00 0.00 72.50 71.30 3iv6 s THR 235 CO 0.20 0.39 0.93 -0.22 -0.69 0.00 0.00 174.62 175.23 3iv6 s LEU 236 N 1.56 4.22 0.15 4.42 2.96 -1.26 -2.35 118.68 128.37 3iv6 s LEU 236 Ca 0.03 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 3iv6 s LEU 236 Cb -0.13 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 3iv6 s LEU 236 CO -0.08 -1.28 1.39 -0.33 -1.32 0.00 0.00 176.35 174.73 3iv6 h GLU 237 N 9.38 0.54 -2.26 1.98 5.08 -1.43 -3.48 114.58 124.39 3iv6 h GLU 237 Ca -0.27 -0.45 0.19 0.00 -1.00 0.00 0.00 59.36 57.84 3iv6 h GLU 237 Cb 1.07 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 3iv6 h GLU 237 CO 1.11 1.07 0.55 -1.59 -1.00 0.00 0.00 179.01 179.15 3iv6 s LYS 238 N -3.65 1.12 -0.25 2.33 -2.85 -1.02 -5.00 119.74 110.41 3iv6 s LYS 238 Ca -0.07 -0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 54.21 3iv6 s LYS 238 Cb 0.10 0.36 0.14 0.00 -2.06 0.00 0.00 37.83 36.37 3iv6 s LYS 238 CO 0.86 -0.51 0.48 0.00 0.10 0.00 0.00 175.35 176.28 3iv6 s ALA 239 N -2.94 -1.52 -0.08 0.59 0.00 -1.25 -1.21 121.76 115.35 3iv6 s ALA 239 Ca 0.15 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.62 3iv6 s ALA 239 Cb -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3iv6 s ALA 239 CO 0.02 -1.12 -0.21 0.08 0.00 0.00 0.00 175.76 174.54 3iv6 s VAL 240 N 2.69 1.76 -0.15 0.00 1.01 0.48 -4.90 120.40 121.29 3iv6 s VAL 240 Ca 0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3iv6 s VAL 240 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3iv6 s VAL 240 CO -0.17 0.49 1.35 -1.83 0.00 0.00 0.00 175.10 174.95 3iv6 s GLU 241 N 0.27 4.20 0.38 2.72 -1.05 -1.26 -0.63 118.70 123.33 3iv6 s GLU 241 Ca -0.13 1.76 -0.24 0.00 -0.15 0.00 0.00 54.97 56.22 3iv6 s GLU 241 Cb -0.16 -3.82 -0.10 0.00 -0.44 0.00 0.00 34.13 29.61 3iv6 s GLU 241 CO 0.06 -0.76 0.97 -0.51 0.95 0.00 0.00 175.26 175.97 3iv6 s LEU 242 N 3.67 4.14 0.01 1.83 1.43 -0.00 -4.98 118.68 124.78 3iv6 s LEU 242 Ca 0.59 1.84 -0.25 0.00 -1.03 0.00 0.00 54.13 55.28 3iv6 s LEU 242 Cb -0.24 -4.25 -0.17 0.00 0.03 0.00 0.00 46.19 41.55 3iv6 s LEU 242 CO 0.18 -0.29 1.32 1.55 0.23 0.00 0.00 176.35 179.34 3iv6 h PRO 243 N 2.53 -0.25 0.00 1.29 0.13 -1.94 -3.39 132.00 130.37 3iv6 h PRO 243 Ca -0.48 0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 64.37 3iv6 h PRO 243 Cb 1.19 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3iv6 h PRO 243 CO 0.63 0.07 -1.62 -0.25 -0.23 0.00 0.00 178.00 176.60 3iv6 n ASP 244 N -5.06 1.89 -4.56 1.44 10.43 -1.26 -4.97 116.55 114.46 3iv6 n ASP 244 Ca -0.09 0.40 -0.29 0.00 2.57 0.00 0.00 54.79 57.38 3iv6 n ASP 244 Cb 0.23 -0.92 0.22 0.00 1.84 0.00 0.00 41.12 42.48 3iv6 n ASP 244 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iv6 s ALA 245 N -2.41 0.26 -0.55 2.24 0.00 -1.26 -4.88 121.76 115.16 3iv6 s ALA 245 Ca -0.32 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 3iv6 s ALA 245 Cb 0.08 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3iv6 s ALA 245 CO 0.56 -3.42 0.92 -2.14 0.00 0.00 0.00 175.76 171.68 3iv6 s PRO 246 N -4.55 3.32 -1.45 0.00 0.02 -1.26 -4.17 135.00 126.91 3iv6 s PRO 246 Ca 0.68 -0.29 -0.03 0.00 0.02 0.00 0.00 61.00 61.38 3iv6 s PRO 246 Cb -0.24 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.23 3iv6 s PRO 246 CO 0.62 -1.46 0.26 -1.71 -0.33 0.00 0.00 177.00 174.38 3iv6 n ASN 247 N 7.38 -0.16 -4.42 2.53 5.15 -1.26 -4.42 115.26 120.06 3iv6 n ASN 247 Ca 0.01 -1.15 -0.25 0.00 -0.60 0.00 0.00 54.58 52.60 3iv6 n ASN 247 Cb 0.47 -2.34 -0.02 0.00 -0.53 0.00 0.00 39.78 37.37 3iv6 n ASN 247 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3iv6 n THR 248 N -4.52 0.00 -3.66 -0.44 -1.04 -1.26 -1.91 114.28 101.45 3iv6 n THR 248 Ca -0.30 -1.96 -0.09 0.00 -2.04 0.00 0.00 64.05 59.66 3iv6 n THR 248 Cb 0.68 0.08 -0.08 0.00 -1.82 0.00 0.00 70.33 69.19 3iv6 n THR 248 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3iv6 s LEU 250 N 0.00 -0.58 -0.12 -4.42 2.96 0.20 -0.82 118.68 115.89 3iv6 s LEU 250 Ca 0.18 1.26 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 3iv6 s LEU 250 Cb -0.01 1.98 0.01 0.00 0.50 0.00 0.00 46.19 48.66 3iv6 s LEU 250 CO 0.11 -0.22 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.39 3iv6 s TYR 251 N 1.44 2.59 -0.20 5.38 2.02 -0.42 -0.38 117.35 127.78 3iv6 s TYR 251 Ca -0.09 -1.21 -0.04 0.00 -0.37 0.00 0.00 57.07 55.36 3iv6 s TYR 251 Cb -0.06 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3iv6 s TYR 251 CO -0.16 -0.53 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.11 3iv6 s GLN 252 N 0.63 3.43 0.19 -0.62 0.74 -0.35 -0.71 119.66 122.97 3iv6 s GLN 252 Ca -0.12 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.59 3iv6 s GLN 252 Cb -0.16 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 3iv6 s GLN 252 CO 0.02 -0.09 0.31 -0.59 -0.55 0.00 0.00 175.29 174.39 3iv6 s PHE 253 N 1.19 0.51 0.20 1.67 -0.12 -0.34 -0.97 117.98 120.12 3iv6 s PHE 253 Ca 0.02 -0.85 -0.23 0.00 -0.05 0.00 0.00 56.93 55.82 3iv6 s PHE 253 Cb -0.14 -0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.22 3iv6 s PHE 253 CO -0.01 -0.77 0.85 -1.54 -0.05 0.00 0.00 175.22 173.70 3iv6 s SER 254 N -3.01 -0.23 -0.05 1.98 1.04 -0.99 -1.06 113.70 111.39 3iv6 s SER 254 Ca 0.22 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 3iv6 s SER 254 Cb 0.03 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.76 3iv6 s SER 254 CO 0.04 -1.08 0.01 0.00 0.98 0.00 0.00 173.24 173.19 3iv6 s ARG 255 N -3.56 0.35 0.00 4.02 1.70 -1.26 0.13 118.95 120.33 3iv6 s ARG 255 Ca 0.11 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 3iv6 s ARG 255 Cb -0.03 -0.69 0.00 0.00 -0.57 0.00 0.00 34.95 33.66 3iv6 s ARG 255 CO 0.03 -0.24 0.05 0.54 -1.08 0.00 0.00 175.30 174.61