#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h h ARG 3 N 0.00 0.41 0.00 0.00 3.08 -2.07 -3.42 114.38 112.37 3i8h h ARG 3 Ca 0.00 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3i8h h ARG 3 Cb 0.00 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3i8h h ARG 3 CO 0.00 1.25 0.00 0.54 -1.07 0.00 0.00 179.97 180.69 3i8h n ARG 4 N -3.66 0.00 -1.73 0.04 1.74 -1.26 -5.00 116.66 106.79 3i8h n ARG 4 Ca -0.10 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 3i8h n ARG 4 Cb 0.98 -0.50 -0.01 0.00 -1.02 0.00 0.00 32.46 31.91 3i8h n ARG 4 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8h n ARG 5 N -2.44 2.52 -0.37 5.56 1.74 -1.26 -4.88 116.66 117.53 3i8h n ARG 5 Ca 0.00 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 3i8h n ARG 5 Cb 0.00 -2.63 0.14 0.00 -1.02 0.00 0.00 32.46 28.95 3i8h n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i8h n ARG 6 N 1.77 2.26 -1.33 5.56 0.63 -1.26 -4.75 116.66 119.54 3i8h n ARG 6 Ca 0.08 -1.18 0.07 0.00 -0.92 0.00 0.00 57.85 55.89 3i8h n ARG 6 Cb 0.36 -1.72 -0.04 0.00 0.45 0.00 0.00 32.46 31.51 3i8h n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8h n ALA 7 N 0.16 -2.45 -3.30 5.13 0.00 -1.26 -4.92 120.51 113.86 3i8h n ALA 7 Ca 0.13 0.54 -0.34 0.00 0.00 0.00 0.00 53.44 53.78 3i8h n ALA 7 Cb 0.69 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 3i8h n ALA 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i8h s GLU 8 N -4.80 3.39 -0.48 0.00 4.04 -1.26 -5.07 118.70 114.53 3i8h s GLU 8 Ca 0.00 -0.65 -0.28 0.00 0.04 0.00 0.00 54.97 54.08 3i8h s GLU 8 Cb 0.00 -2.82 0.01 0.00 0.02 0.00 0.00 34.13 31.34 3i8h s GLU 8 CO 0.00 0.02 1.46 0.08 -1.84 0.00 0.00 175.26 174.98 3i8h s VAL 9 N 0.87 3.81 0.31 1.83 1.01 -1.26 -4.95 120.40 122.02 3i8h s VAL 9 Ca -0.02 0.76 -0.27 0.00 0.00 0.00 0.00 61.98 62.44 3i8h s VAL 9 Cb -0.15 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 3i8h s VAL 9 CO 0.01 -0.91 1.01 -1.14 0.00 0.00 0.00 175.10 174.07 3i8h n ARG 10 N 8.38 1.37 -3.65 2.72 0.63 -1.26 -4.93 116.66 119.92 3i8h n ARG 10 Ca 0.15 0.48 -0.37 0.00 -0.92 0.00 0.00 57.85 57.19 3i8h n ARG 10 Cb 0.49 -1.88 -0.10 0.00 0.45 0.00 0.00 32.46 31.41 3i8h n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3i8h s GLN 11 N -1.62 3.97 0.68 -0.14 2.00 -1.26 -5.09 119.66 118.20 3i8h s GLN 11 Ca 0.59 -0.32 -0.11 0.00 -2.00 0.00 0.00 55.36 53.52 3i8h s GLN 11 Cb -0.68 -3.56 -0.00 0.00 0.80 0.00 0.00 33.01 29.56 3i8h s GLN 11 CO 0.60 -0.07 1.06 -0.51 -0.50 0.00 0.00 175.29 175.87 3i8h s LEU 12 N 1.41 3.08 -0.22 3.68 2.01 -1.26 -5.04 118.68 122.34 3i8h s LEU 12 Ca 0.07 1.43 -0.13 0.00 0.01 0.00 0.00 54.13 55.50 3i8h s LEU 12 Cb -0.15 -4.33 -0.04 0.00 0.01 0.00 0.00 46.19 41.67 3i8h s LEU 12 CO 0.07 -1.24 0.28 -1.10 1.01 0.00 0.00 176.35 175.37 3i8h s GLN 13 N -5.16 4.14 0.98 1.70 -0.21 -1.26 -4.92 119.66 114.92 3i8h s GLN 13 Ca 0.57 -0.02 -0.22 0.00 0.02 0.00 0.00 55.36 55.71 3i8h s GLN 13 Cb -0.12 -3.53 -0.17 0.00 1.00 0.00 0.00 33.01 30.19 3i8h s GLN 13 CO 0.54 0.03 -1.16 -2.30 -2.12 0.00 0.00 175.29 170.28 3i8h n PRO 14 N 4.30 0.00 -2.64 2.91 -0.02 -1.26 -4.77 135.00 133.52 3i8h n PRO 14 Ca -0.12 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 3i8h n PRO 14 Cb 0.52 -0.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.97 3i8h n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i8h s ASP 15 N -0.98 6.58 -0.45 2.55 3.68 -0.80 -4.60 116.67 122.65 3i8h s ASP 15 Ca 0.37 1.85 0.04 0.00 2.13 0.00 0.00 52.55 56.94 3i8h s ASP 15 Cb -0.04 -2.55 0.61 0.00 -1.45 0.00 0.00 42.92 39.49 3i8h s ASP 15 CO 0.73 -0.61 1.85 0.18 0.13 0.00 0.00 175.17 177.45 3i8h n LEU 16 N -0.78 6.45 0.00 -1.34 4.77 -1.26 -1.38 117.00 123.45 3i8h n LEU 16 Ca 0.08 -3.76 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 3i8h n LEU 16 Cb 0.53 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3i8h n LEU 16 CO 0.39 1.17 0.00 0.52 -1.33 0.00 0.00 177.39 178.14 3i8h n VAL 17 N -1.10 0.00 0.00 4.08 0.31 -1.26 -4.91 118.33 115.45 3i8h n VAL 17 Ca 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 3i8h n VAL 17 Cb 1.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.35 3i8h n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3i8h n TYR 18 N -0.10 0.00 -2.78 3.52 4.02 -1.26 -5.09 117.16 115.47 3i8h n TYR 18 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 3i8h n TYR 18 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.33 3i8h n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i8h n GLY 19 N 0.42 -1.64 3.62 2.72 0.00 -0.48 -4.86 105.19 104.97 3i8h n GLY 19 Ca 0.00 1.12 -0.08 0.00 0.00 0.00 0.00 46.02 47.07 3i8h n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i8h s ASP 20 N -2.43 -0.30 0.01 1.61 -1.08 -1.26 -4.52 116.67 108.69 3i8h s ASP 20 Ca 0.21 0.45 -0.09 0.00 -0.52 0.00 0.00 52.55 52.61 3i8h s ASP 20 Cb -0.06 0.41 -0.05 0.00 -1.46 0.00 0.00 42.92 41.77 3i8h s ASP 20 CO 0.74 -0.19 0.94 -0.37 0.52 0.00 0.00 175.17 176.80 3i8h h VAL 21 N 2.88 0.00 -0.72 1.11 -1.51 -1.90 -2.13 116.25 113.98 3i8h h VAL 21 Ca -0.21 -0.05 0.30 0.00 -1.23 0.00 0.00 66.70 65.50 3i8h h VAL 21 Cb 1.17 0.00 -0.13 0.00 -2.13 0.00 0.00 31.29 30.20 3i8h h VAL 21 CO 0.22 0.00 0.37 -0.11 -1.23 0.00 0.00 177.57 176.82 3i8h n LEU 22 N -2.97 0.24 0.32 4.19 7.94 -1.26 -0.41 117.00 125.05 3i8h n LEU 22 Ca -0.04 1.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.93 3i8h n LEU 22 Cb 0.12 -0.58 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 3i8h n LEU 22 CO 0.09 -1.34 0.46 0.58 -1.11 0.00 0.00 177.39 176.08 3i8h h VAL 23 N 0.00 0.00 -0.63 1.96 2.07 -1.98 -1.16 116.25 116.51 3i8h h VAL 23 Ca 0.61 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 68.16 3i8h h VAL 23 Cb 1.59 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 3i8h h VAL 23 CO -0.56 0.00 0.10 0.71 0.02 0.00 0.00 177.57 177.84 3i8h h THR 24 N -0.92 0.57 -0.61 2.57 1.35 -0.74 0.35 112.91 115.49 3i8h h THR 24 Ca -0.08 -0.07 0.12 0.00 -0.55 0.00 0.00 66.41 65.83 3i8h h THR 24 Cb 0.64 0.34 -0.11 0.00 -1.73 0.00 0.00 68.15 67.28 3i8h h THR 24 CO 0.14 0.04 -0.10 0.00 -0.25 0.00 0.00 175.52 175.35 3i8h h ALA 25 N 1.53 0.47 -0.38 6.62 0.00 -1.11 0.87 119.26 127.25 3i8h h ALA 25 Ca 0.34 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.40 3i8h h ALA 25 Cb 0.53 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3i8h h ALA 25 CO -0.46 -0.42 -0.06 0.35 0.00 0.00 0.00 179.25 178.66 3i8h h PHE 26 N 0.03 0.66 -0.49 0.00 3.57 0.75 -1.72 116.94 119.75 3i8h h PHE 26 Ca 0.30 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3i8h h PHE 26 Cb 0.47 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3i8h h PHE 26 CO -0.45 0.67 0.12 0.82 -2.23 0.00 0.00 178.31 177.23 3i8h h ILE 27 N 0.58 1.24 -0.15 1.41 5.03 0.37 -2.50 117.51 123.50 3i8h h ILE 27 Ca 0.11 -0.85 0.04 0.00 -0.12 0.00 0.00 64.86 64.05 3i8h h ILE 27 Cb 0.46 0.86 -0.04 0.00 -3.03 0.00 0.00 36.82 35.06 3i8h h ILE 27 CO 0.02 0.30 -0.13 0.78 -0.68 0.00 0.00 178.15 178.45 3i8h h ASN 28 N 0.67 -0.40 -0.92 1.72 2.35 0.92 0.53 115.58 120.44 3i8h h ASN 28 Ca 0.15 0.08 0.27 0.00 -0.55 0.00 0.00 56.30 56.25 3i8h h ASN 28 Cb 0.33 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 3i8h h ASN 28 CO 0.00 -0.17 0.68 0.11 -1.65 0.00 0.00 177.43 176.41 3i8h h LYS 29 N -0.14 0.00 0.00 0.81 1.79 -0.97 0.89 116.57 118.94 3i8h h LYS 29 Ca 0.10 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3i8h h LYS 29 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3i8h h LYS 29 CO -0.23 0.00 -0.73 0.82 -1.08 0.00 0.00 179.45 178.23 3i8h h ILE 30 N 0.00 0.41 -2.75 1.86 1.08 -0.54 -3.46 117.51 114.11 3i8h h ILE 30 Ca 0.44 -1.65 -0.57 0.00 -0.39 0.00 0.00 64.86 62.69 3i8h h ILE 30 Cb 1.80 2.04 -0.03 0.00 -3.07 0.00 0.00 36.82 37.57 3i8h h ILE 30 CO -0.00 0.23 1.16 -0.32 -0.69 0.00 0.00 178.15 178.53 3i8h s MET 31 N -3.09 3.70 -0.17 2.37 1.75 0.31 -4.87 119.30 119.29 3i8h s MET 31 Ca 0.02 1.61 -0.04 0.00 -1.25 0.00 0.00 55.69 56.03 3i8h s MET 31 Cb 0.08 -4.07 -0.02 0.00 2.84 0.00 0.00 34.83 33.65 3i8h s MET 31 CO 0.76 -1.42 -0.03 0.50 -0.65 0.00 0.00 175.02 174.18 3i8h s ARG 32 N 4.89 3.62 -0.26 4.11 3.52 -1.26 -4.50 118.95 129.08 3i8h s ARG 32 Ca 0.73 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 3i8h s ARG 32 Cb -0.24 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 3i8h s ARG 32 CO 0.30 0.15 0.00 -0.25 -0.81 0.00 0.00 175.30 174.69 3i8h n ASP 33 N 3.81 -2.84 0.00 -2.12 8.00 -1.26 -3.30 116.55 118.84 3i8h n ASP 33 Ca -0.17 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3i8h n ASP 33 Cb 0.52 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 3i8h n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8h n GLY 34 N -2.23 0.84 3.33 0.44 0.00 -1.26 -4.83 105.19 101.48 3i8h n GLY 34 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3i8h n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8h n LYS 35 N -2.00 1.64 -0.15 1.61 4.81 -1.21 -4.73 118.16 118.13 3i8h n LYS 35 Ca 0.00 -2.20 -0.09 0.00 -0.87 0.00 0.00 58.31 55.15 3i8h n LYS 35 Cb 0.00 -3.31 -0.00 0.00 0.02 0.00 0.00 35.03 31.74 3i8h n LYS 35 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3i8h h LYS 36 N 8.66 0.72 -0.97 1.64 3.64 -1.88 -3.26 116.57 125.12 3i8h h LYS 36 Ca 0.33 -0.18 0.18 0.00 -1.27 0.00 0.00 60.65 59.71 3i8h h LYS 36 Cb 0.80 -0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 32.35 3i8h h LYS 36 CO 1.61 0.72 -0.30 -1.71 -2.27 0.00 0.00 179.45 177.50 3i8h n ASN 37 N -4.51 -0.47 0.02 4.20 2.85 -1.26 0.10 115.26 116.19 3i8h n ASN 37 Ca 0.00 1.69 -0.05 0.00 -0.11 0.00 0.00 54.58 56.11 3i8h n ASN 37 Cb 0.22 -0.46 0.17 0.00 1.24 0.00 0.00 39.78 40.95 3i8h n ASN 37 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3i8h h LEU 38 N 0.00 0.49 0.24 1.20 5.85 -1.98 -2.14 115.31 118.98 3i8h h LEU 38 Ca 0.41 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3i8h h LEU 38 Cb 0.65 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3i8h h LEU 38 CO -0.99 0.80 -0.37 0.00 -0.34 0.00 0.00 178.44 177.54 3i8h h ALA 39 N 1.24 -0.72 -0.85 1.25 0.00 0.65 0.83 119.26 121.65 3i8h h ALA 39 Ca 0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3i8h h ALA 39 Cb 0.78 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3i8h h ALA 39 CO 0.06 -0.96 0.55 0.00 0.00 0.00 0.00 179.25 178.91 3i8h h ALA 40 N -0.18 1.68 0.77 0.00 0.00 -0.97 -1.33 119.26 119.22 3i8h h ALA 40 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i8h h ALA 40 Cb 0.66 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i8h h ALA 40 CO -0.14 0.15 -0.48 0.00 0.00 0.00 0.00 179.25 178.78 3i8h h ARG 41 N 0.83 -1.13 -0.80 0.00 3.08 -0.64 -2.71 114.38 113.01 3i8h h ARG 41 Ca 0.39 0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.69 3i8h h ARG 41 Cb 0.40 0.26 -0.15 0.00 0.08 0.00 0.00 29.97 30.56 3i8h h ARG 41 CO -0.16 -0.75 -0.15 0.82 -1.07 0.00 0.00 179.97 178.66 3i8h h ILE 42 N -1.17 0.21 -0.96 2.04 2.04 0.10 0.75 117.51 120.51 3i8h h ILE 42 Ca -0.10 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3i8h h ILE 42 Cb 0.94 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3i8h h ILE 42 CO 0.10 0.00 0.64 0.15 0.00 0.00 0.00 178.15 179.04 3i8h h PHE 43 N 0.02 1.20 0.01 1.37 3.57 -1.16 -2.91 116.94 119.03 3i8h h PHE 43 Ca 0.40 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 3i8h h PHE 43 Cb 0.65 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3i8h h PHE 43 CO -0.59 0.74 -0.20 1.88 -2.23 0.00 0.00 178.31 177.91 3i8h h TYR 44 N 1.29 0.19 -0.08 0.41 0.99 -0.76 -2.27 116.97 116.73 3i8h h TYR 44 Ca 0.36 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 61.00 3i8h h TYR 44 Cb -0.11 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 37.59 3i8h h TYR 44 CO -0.00 0.94 0.50 -0.44 -0.00 0.00 0.00 178.16 179.15 3i8h h ASP 45 N -0.61 0.00 0.01 3.88 3.45 -0.93 0.89 116.42 123.10 3i8h h ASP 45 Ca -0.03 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 3i8h h ASP 45 Cb 1.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 3i8h h ASP 45 CO 0.04 0.00 -0.32 0.00 -1.57 0.00 0.00 179.24 177.39 3i8h h ALA 46 N 1.08 0.06 -1.00 3.45 0.00 -1.38 -3.10 119.26 118.36 3i8h h ALA 46 Ca 0.04 -0.67 0.23 0.00 0.00 0.00 0.00 54.91 54.51 3i8h h ALA 46 Cb 1.03 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 3i8h h ALA 46 CO -0.00 0.18 0.64 0.00 0.00 0.00 0.00 179.25 180.07 3i8h h LYS 48 N 0.50 0.67 0.00 0.00 3.64 -0.93 -0.45 116.57 120.00 3i8h h LYS 48 Ca 0.57 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 3i8h h LYS 48 Cb 1.28 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3i8h h LYS 48 CO -0.31 0.62 -0.14 0.82 -2.27 0.00 0.00 179.45 178.18 3i8h h ILE 49 N 0.65 0.62 -0.12 2.00 1.08 0.21 -0.58 117.51 121.37 3i8h h ILE 49 Ca 0.15 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3i8h h ILE 49 Cb 0.27 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3i8h h ILE 49 CO -0.00 0.13 0.00 -0.38 -0.69 0.00 0.00 178.15 177.21 3i8h n ILE 50 N -3.69 0.44 0.00 -0.67 2.08 -0.18 -3.39 119.36 113.95 3i8h n ILE 50 Ca -0.02 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.05 3i8h n ILE 50 Cb 0.25 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 3i8h n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8h n GLN 51 N 0.07 0.00 -0.26 0.38 1.13 -0.23 -3.63 117.38 114.84 3i8h n GLN 51 Ca 0.05 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.17 3i8h n GLN 51 Cb 0.36 0.00 0.20 0.00 0.11 0.00 0.00 30.24 30.91 3i8h n GLN 51 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3i8h h GLU 52 N 0.00 0.41 0.00 -1.09 4.81 -1.77 -3.23 114.58 113.72 3i8h h GLU 52 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i8h h GLU 52 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3i8h h GLU 52 CO 0.00 0.27 0.00 1.17 -0.73 0.00 0.00 179.01 179.72 3i8h n LYS 53 N -5.02 0.00 -3.53 1.92 3.00 -1.22 -4.44 118.16 108.87 3i8h n LYS 53 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.05 3i8h n LYS 53 Cb 0.45 -0.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.88 3i8h n LYS 53 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3i8h s THR 54 N 0.00 5.03 -0.97 3.15 -1.32 -1.23 -4.97 115.64 115.33 3i8h s THR 54 Ca 0.00 -0.59 -0.26 0.00 -1.21 0.00 0.00 61.69 59.63 3i8h s THR 54 Cb 0.00 -3.73 -0.18 0.00 -1.51 0.00 0.00 72.50 67.07 3i8h s THR 54 CO 0.00 -0.19 2.21 -0.83 -2.21 0.00 0.00 174.62 173.60 3i8h s GLY 55 N 1.65 -0.92 0.05 6.08 0.00 -1.22 -4.22 107.32 108.75 3i8h s GLY 55 Ca 0.04 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 3i8h s GLY 55 CO 0.09 4.21 0.26 1.20 0.00 0.00 0.00 173.10 178.86 3i8h s GLN 56 N 8.49 0.79 -0.56 2.90 -1.52 -1.24 -5.10 119.66 123.42 3i8h s GLN 56 Ca 0.85 -0.59 -0.28 0.00 -1.95 0.00 0.00 55.36 53.38 3i8h s GLN 56 Cb -0.08 0.33 0.02 0.00 -0.22 0.00 0.00 33.01 33.06 3i8h s GLN 56 CO 0.13 -0.25 1.36 -1.21 -0.25 0.00 0.00 175.29 175.08 3i8h s GLU 57 N -2.72 3.37 0.35 2.91 8.01 -1.26 -4.72 118.70 124.64 3i8h s GLU 57 Ca -0.04 0.43 0.16 0.00 0.01 0.00 0.00 54.97 55.54 3i8h s GLU 57 Cb -0.00 -4.09 1.21 0.00 -4.31 0.00 0.00 34.13 26.93 3i8h s GLU 57 CO -0.05 -1.85 1.58 -1.00 0.01 0.00 0.00 175.26 173.95 3i8h h PRO 58 N 10.67 0.02 0.00 0.39 0.13 -1.86 -1.81 132.00 139.53 3i8h h PRO 58 Ca -0.26 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i8h h PRO 58 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3i8h h PRO 58 CO 1.17 0.01 0.00 -0.11 -0.23 0.00 0.00 178.00 178.85 3i8h n LEU 59 N -5.30 0.00 -0.29 1.56 7.94 -1.26 0.65 117.00 120.30 3i8h n LEU 59 Ca 0.34 0.64 0.28 0.00 -1.11 0.00 0.00 56.01 56.17 3i8h n LEU 59 Cb 1.16 -0.14 0.64 0.00 0.53 0.00 0.00 43.42 45.61 3i8h n LEU 59 CO -0.00 -0.14 1.27 0.11 -1.11 0.00 0.00 177.39 177.51 3i8h h LYS 60 N 0.00 0.16 0.61 1.96 1.57 -1.76 0.30 116.57 119.42 3i8h h LYS 60 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3i8h h LYS 60 Cb 0.00 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.28 3i8h h LYS 60 CO 0.00 0.11 -0.29 0.28 -0.57 0.00 0.00 179.45 178.97 3i8h h VAL 61 N 0.17 0.36 -0.33 0.50 2.07 -0.59 0.30 116.25 118.73 3i8h h VAL 61 Ca 0.54 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.99 3i8h h VAL 61 Cb 1.82 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 3i8h h VAL 61 CO -0.12 0.02 -0.35 0.15 0.02 0.00 0.00 177.57 177.29 3i8h h PHE 62 N -0.92 -0.97 -0.47 1.57 3.57 0.37 0.17 116.94 120.26 3i8h h PHE 62 Ca -0.08 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3i8h h PHE 62 Cb 0.66 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 3i8h h PHE 62 CO -0.02 -0.40 0.22 -0.22 -2.23 0.00 0.00 178.31 175.66 3i8h h LYS 63 N -0.31 0.42 -0.04 1.11 1.63 -0.75 -1.10 116.57 117.52 3i8h h LYS 63 Ca 0.15 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.83 3i8h h LYS 63 Cb 0.55 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 3i8h h LYS 63 CO -0.50 0.27 -0.40 0.37 -3.45 0.00 0.00 179.45 175.75 3i8h h GLN 64 N 0.43 0.08 0.57 1.90 5.75 0.31 -1.99 115.11 122.16 3i8h h GLN 64 Ca 0.21 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 3i8h h GLN 64 Cb 0.15 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.71 3i8h h GLN 64 CO -0.17 0.47 -0.27 0.00 -2.65 0.00 0.00 178.83 176.21 3i8h h ALA 65 N 1.53 -0.76 -0.89 3.38 0.00 -0.19 -2.72 119.26 119.60 3i8h h ALA 65 Ca 0.01 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 54.97 3i8h h ALA 65 Cb 0.74 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 3i8h h ALA 65 CO 0.05 -0.72 0.33 0.28 0.00 0.00 0.00 179.25 179.19 3i8h h VAL 66 N -1.18 0.38 0.58 0.00 2.07 -1.16 -1.38 116.25 115.55 3i8h h VAL 66 Ca -0.08 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3i8h h VAL 66 Cb 0.61 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3i8h h VAL 66 CO 0.13 0.05 -0.28 -0.08 0.02 0.00 0.00 177.57 177.41 3i8h h GLU 67 N 0.29 -0.75 0.00 1.57 4.57 -1.37 -1.63 114.58 117.26 3i8h h GLU 67 Ca 0.57 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 3i8h h GLU 67 Cb 1.14 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3i8h h GLU 67 CO -0.60 -0.48 0.08 0.09 -1.18 0.00 0.00 179.01 176.92 3i8h n ASN 68 N -5.40 0.00 -0.14 1.04 4.13 -0.56 -0.23 115.26 114.10 3i8h n ASN 68 Ca -0.12 0.26 0.01 0.00 1.68 0.00 0.00 54.58 56.41 3i8h n ASN 68 Cb 0.33 -0.26 0.03 0.00 -1.54 0.00 0.00 39.78 38.33 3i8h n ASN 68 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3i8h n VAL 69 N -1.22 0.60 -2.57 2.41 0.31 -0.67 -4.88 118.33 112.31 3i8h n VAL 69 Ca 0.00 -0.80 -0.41 0.00 -0.01 0.00 0.00 64.34 63.12 3i8h n VAL 69 Cb 0.08 0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 33.70 3i8h n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i8h s LYS 70 N -0.69 3.25 -0.14 5.55 1.02 0.69 -4.49 119.74 124.93 3i8h s LYS 70 Ca 0.05 -0.17 -0.35 0.00 0.02 0.00 0.00 55.97 55.51 3i8h s LYS 70 Cb 0.03 -4.15 -0.12 0.00 -0.52 0.00 0.00 37.83 33.06 3i8h s LYS 70 CO 0.04 -2.05 1.88 -0.35 -0.92 0.00 0.00 175.35 173.95 3i8h n PRO 71 N 9.14 1.97 0.16 -1.68 -0.04 -1.26 -4.86 135.00 138.43 3i8h n PRO 71 Ca 0.04 0.71 0.02 0.00 -0.04 0.00 0.00 63.50 64.24 3i8h n PRO 71 Cb 0.49 -2.57 0.25 0.00 -0.04 0.00 0.00 33.50 31.63 3i8h n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i8h h ARG 72 N 9.18 0.00 -2.86 0.54 3.08 -1.93 -3.41 114.38 118.98 3i8h h ARG 72 Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.58 3i8h h ARG 72 Cb 1.28 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.20 3i8h h ARG 72 CO 0.96 0.49 0.27 -1.64 -1.07 0.00 0.00 179.97 178.97 3i8h s MET 73 N -3.58 1.19 0.11 0.04 -1.94 -1.26 -3.24 119.30 110.61 3i8h s MET 73 Ca -0.00 -0.44 -0.10 0.00 -1.71 0.00 0.00 55.69 53.44 3i8h s MET 73 Cb 0.12 0.55 0.00 0.00 2.01 0.00 0.00 34.83 37.51 3i8h s MET 73 CO 0.72 -0.52 0.25 -1.83 -0.01 0.00 0.00 175.02 173.63 3i8h s GLU 74 N -3.63 0.95 -0.44 2.03 -1.05 -1.07 -4.24 118.70 111.26 3i8h s GLU 74 Ca 0.02 -0.95 -0.29 0.00 -0.15 0.00 0.00 54.97 53.59 3i8h s GLU 74 Cb -0.01 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 3i8h s GLU 74 CO -0.12 -0.33 1.23 0.14 0.95 0.00 0.00 175.26 177.14 3i8h s VAL 75 N -3.87 4.11 -0.23 1.83 -7.23 -1.26 -2.44 120.40 111.31 3i8h s VAL 75 Ca 0.07 1.15 0.02 0.00 -1.81 0.00 0.00 61.98 61.40 3i8h s VAL 75 Cb 0.04 -4.45 0.05 0.00 0.56 0.00 0.00 36.38 32.59 3i8h s VAL 75 CO -0.09 -0.88 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.12 3i8h s ARG 76 N 4.57 2.04 0.09 4.82 3.52 0.16 -4.98 118.95 129.19 3i8h s ARG 76 Ca 0.53 -1.07 -0.36 0.00 -0.13 0.00 0.00 55.73 54.70 3i8h s ARG 76 Cb -0.10 -2.65 -0.18 0.00 -1.56 0.00 0.00 34.95 30.47 3i8h s ARG 76 CO 0.31 -0.52 1.09 -1.13 -0.81 0.00 0.00 175.30 174.24 3i8h n SER 77 N 4.58 0.57 -4.63 -2.12 3.41 -1.26 -3.57 113.62 110.61 3i8h n SER 77 Ca -0.14 1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 59.31 3i8h n SER 77 Cb 0.44 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.24 3i8h n SER 77 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i8h s ARG 78 N -0.11 2.08 -0.21 4.33 6.06 0.54 -4.89 118.95 126.74 3i8h s ARG 78 Ca 0.81 -2.28 -0.04 0.00 -2.50 0.00 0.00 55.73 51.72 3i8h s ARG 78 Cb -1.05 -1.40 0.11 0.00 0.06 0.00 0.00 34.95 32.67 3i8h s ARG 78 CO 0.53 -0.29 0.38 0.50 -2.50 0.00 0.00 175.30 173.92 3i8h s ARG 79 N -3.82 0.31 -0.09 5.12 3.52 -1.26 -2.28 118.95 120.46 3i8h s ARG 79 Ca 0.17 0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 56.41 3i8h s ARG 79 Cb 0.04 -0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 3i8h s ARG 79 CO 0.09 -0.47 0.22 0.08 -0.81 0.00 0.00 175.30 174.41 3i8h s VAL 80 N 2.55 -0.00 -0.78 7.11 1.01 -0.61 -4.88 120.40 124.80 3i8h s VAL 80 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3i8h s VAL 80 Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3i8h s VAL 80 CO -0.14 0.01 0.46 0.61 0.00 0.00 0.00 175.10 176.03 3i8h n GLY 81 N 3.10 0.10 2.84 4.51 0.00 -1.26 -2.23 105.19 112.24 3i8h n GLY 81 Ca -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 3i8h n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 82 N -1.22 0.23 3.38 -0.02 0.00 -1.26 -4.92 105.19 101.38 3i8h n GLY 82 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3i8h n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h s ALA 83 N -1.11 2.40 -0.33 4.61 0.00 -0.95 -5.11 121.76 121.26 3i8h s ALA 83 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 3i8h s ALA 83 Cb 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3i8h s ALA 83 CO 0.00 0.52 0.22 1.21 0.00 0.00 0.00 175.76 177.71 3i8h s ASN 84 N -0.57 5.94 0.16 0.00 2.47 -1.26 -1.58 114.94 120.10 3i8h s ASN 84 Ca 0.08 -0.45 0.04 0.00 0.42 0.00 0.00 52.86 52.95 3i8h s ASN 84 Cb -0.11 -2.11 -0.04 0.00 -1.45 0.00 0.00 41.25 37.55 3i8h s ASN 84 CO 0.00 -0.23 0.20 -0.31 -3.72 0.00 0.00 177.10 173.05 3i8h s TYR 85 N 1.70 3.29 -0.47 0.43 4.12 -0.97 -4.90 117.35 120.55 3i8h s TYR 85 Ca 0.06 0.04 -0.03 0.00 0.02 0.00 0.00 57.07 57.15 3i8h s TYR 85 Cb -0.17 -1.57 0.14 0.00 -1.52 0.00 0.00 41.96 38.83 3i8h s TYR 85 CO 0.10 0.52 2.51 1.04 0.02 0.00 0.00 175.55 179.73 3i8h n GLN 86 N -0.47 2.33 -1.60 -0.62 6.02 -1.26 -0.34 117.38 121.43 3i8h n GLN 86 Ca -0.08 -2.34 -0.49 0.00 -0.01 0.00 0.00 57.00 54.08 3i8h n GLN 86 Cb 0.55 -2.06 -0.04 0.00 1.02 0.00 0.00 30.24 29.71 3i8h n GLN 86 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i8h n VAL 87 N 0.54 0.57 -3.86 5.09 0.31 -1.23 -4.26 118.33 115.48 3i8h n VAL 87 Ca 0.46 -0.14 -0.21 0.00 -0.01 0.00 0.00 64.34 64.44 3i8h n VAL 87 Cb 0.53 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 3i8h n VAL 87 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i8h s PRO 88 N -0.02 2.93 0.00 5.55 0.04 -1.26 -0.66 135.00 141.57 3i8h s PRO 88 Ca 0.76 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.69 3i8h s PRO 88 Cb -0.84 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3i8h s PRO 88 CO 0.49 0.22 0.00 0.00 0.04 0.00 0.00 177.00 177.75 3i8h n MET 89 N -1.36 0.00 -1.38 4.56 0.00 -1.02 -4.74 117.12 113.18 3i8h n MET 89 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 57.70 57.21 3i8h n MET 89 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.79 3i8h n MET 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3i8h n GLU 90 N -0.35 0.11 -3.32 3.17 4.71 -1.26 -2.58 120.64 121.12 3i8h n GLU 90 Ca 0.00 0.04 -0.38 0.00 -0.01 0.00 0.00 57.16 56.81 3i8h n GLU 90 Cb 0.00 -1.08 -0.07 0.00 -1.01 0.00 0.00 31.44 29.28 3i8h n GLU 90 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3i8h s VAL 91 N -1.28 5.17 0.23 2.62 1.01 -1.20 -4.81 120.40 122.14 3i8h s VAL 91 Ca 0.62 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 3i8h s VAL 91 Cb -0.79 -3.79 -0.15 0.00 0.00 0.00 0.00 36.38 31.64 3i8h s VAL 91 CO 0.59 0.25 0.89 -0.24 0.00 0.00 0.00 175.10 176.59 3i8h n SER 92 N 4.30 0.47 -0.30 3.32 2.88 -1.26 -4.53 113.62 118.49 3i8h n SER 92 Ca -0.07 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 3i8h n SER 92 Cb 0.51 -1.16 0.29 0.00 -0.75 0.00 0.00 64.21 63.11 3i8h n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i8h h PRO 93 N 1.99 0.43 0.46 -1.46 0.13 -1.98 0.56 132.00 132.13 3i8h h PRO 93 Ca -0.37 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3i8h h PRO 93 Cb 1.38 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3i8h h PRO 93 CO 0.61 0.28 -0.23 -0.09 -0.23 0.00 0.00 178.00 178.35 3i8h h ARG 94 N 0.44 -0.60 -0.97 0.86 2.43 -2.00 -1.15 114.38 113.39 3i8h h ARG 94 Ca 0.54 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.87 3i8h h ARG 94 Cb 1.00 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 3i8h h ARG 94 CO -0.50 -0.40 0.62 -0.09 -1.51 0.00 0.00 179.97 178.09 3i8h h ARG 95 N -0.63 0.94 0.53 0.20 2.43 -1.31 0.11 114.38 116.65 3i8h h ARG 95 Ca -0.06 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3i8h h ARG 95 Cb 0.48 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3i8h h ARG 95 CO 0.10 0.62 -0.48 1.96 -1.51 0.00 0.00 179.97 180.66 3i8h h GLN 96 N 0.97 -0.97 0.05 0.20 4.20 0.59 0.38 115.11 120.55 3i8h h GLN 96 Ca 0.47 0.07 0.03 0.00 0.06 0.00 0.00 58.65 59.27 3i8h h GLN 96 Cb 0.44 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 3i8h h GLN 96 CO -0.23 -0.64 -0.34 0.37 -0.67 0.00 0.00 178.83 177.32 3i8h h GLN 97 N -1.00 -0.51 -0.82 1.46 4.15 -0.28 1.08 115.11 119.19 3i8h h GLN 97 Ca -0.06 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.52 3i8h h GLN 97 Cb 0.86 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.58 3i8h h GLN 97 CO -0.04 -0.34 0.41 0.66 -1.93 0.00 0.00 178.83 177.59 3i8h h SER 98 N -0.53 0.50 -0.16 -0.69 4.64 -0.66 0.29 113.55 116.94 3i8h h SER 98 Ca 0.05 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 3i8h h SER 98 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3i8h h SER 98 CO -0.24 0.23 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.36 3i8h h LEU 99 N 0.62 0.82 0.28 5.97 3.38 0.51 -2.48 115.31 124.41 3i8h h LEU 99 Ca 0.43 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i8h h LEU 99 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3i8h h LEU 99 CO -0.34 1.18 -0.35 0.00 0.09 0.00 0.00 178.44 179.02 3i8h h ALA 100 N 0.84 -0.71 -0.31 1.53 0.00 0.30 -2.42 119.26 118.48 3i8h h ALA 100 Ca 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3i8h h ALA 100 Cb 1.09 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3i8h h ALA 100 CO 0.11 -0.95 -0.10 -0.07 0.00 0.00 0.00 179.25 178.25 3i8h h LEU 101 N -0.69 0.50 0.67 0.00 3.38 -1.07 -2.40 115.31 115.71 3i8h h LEU 101 Ca -0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3i8h h LEU 101 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3i8h h LEU 101 CO -0.11 0.64 -0.37 -0.09 0.09 0.00 0.00 178.44 178.61 3i8h h ARG 102 N 0.49 -0.92 -0.56 1.13 2.43 -1.18 -0.69 114.38 115.07 3i8h h ARG 102 Ca 0.09 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3i8h h ARG 102 Cb 0.47 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3i8h h ARG 102 CO 0.03 -0.62 0.37 -1.49 -1.51 0.00 0.00 179.97 176.75 3i8h h TRP 103 N -0.96 0.58 0.20 2.20 6.55 -1.50 0.14 115.95 123.16 3i8h h TRP 103 Ca -0.09 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.76 3i8h h TRP 103 Cb 0.75 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.83 3i8h h TRP 103 CO -0.00 0.33 -0.39 1.25 -1.05 0.00 0.00 178.44 178.58 3i8h h LEU 104 N 0.59 -1.13 -0.38 -4.49 5.85 -1.13 0.44 115.31 115.06 3i8h h LEU 104 Ca 0.23 0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.08 3i8h h LEU 104 Cb 0.18 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3i8h h LEU 104 CO -0.06 -0.45 0.22 0.58 -0.34 0.00 0.00 178.44 178.39 3i8h h VAL 105 N -0.64 1.03 0.31 1.05 2.07 -0.58 -0.90 116.25 118.59 3i8h h VAL 105 Ca -0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3i8h h VAL 105 Cb 0.60 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3i8h h VAL 105 CO -0.15 0.08 -0.34 1.56 0.02 0.00 0.00 177.57 178.74 3i8h h GLN 106 N 0.44 -0.63 -0.72 1.57 4.20 -0.33 0.04 115.11 119.68 3i8h h GLN 106 Ca 0.15 0.04 0.14 0.00 0.06 0.00 0.00 58.65 59.04 3i8h h GLN 106 Cb 0.02 0.14 -0.10 0.00 0.30 0.00 0.00 27.48 27.84 3i8h h GLN 106 CO -0.08 -0.42 0.24 0.00 -0.67 0.00 0.00 178.83 177.90 3i8h h ALA 107 N -1.17 0.96 -0.82 3.87 0.00 -0.11 -0.56 119.26 121.43 3i8h h ALA 107 Ca -0.04 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3i8h h ALA 107 Cb 0.57 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 3i8h h ALA 107 CO -0.05 -0.25 0.43 0.00 0.00 0.00 0.00 179.25 179.37 3i8h h ALA 108 N 1.54 1.20 0.00 0.00 0.00 -0.70 -0.30 119.26 121.02 3i8h h ALA 108 Ca 0.39 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3i8h h ALA 108 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i8h h ALA 108 CO -0.42 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 178.87 3i8h n ASN 109 N -4.85 0.00 0.05 0.00 3.02 -0.04 -2.96 115.26 110.48 3i8h n ASN 109 Ca 0.15 0.22 0.11 0.00 -0.03 0.00 0.00 54.58 55.04 3i8h n ASN 109 Cb 0.38 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3i8h n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8h n GLN 110 N -1.40 0.43 -1.20 3.52 6.02 -0.14 -4.93 117.38 119.68 3i8h n GLN 110 Ca 0.09 0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.75 3i8h n GLN 110 Cb 0.25 -1.66 0.10 0.00 1.02 0.00 0.00 30.24 29.94 3i8h n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i8h n ARG 111 N -2.23 0.29 -0.25 -1.09 1.74 -1.12 -4.86 116.66 109.14 3i8h n ARG 111 Ca 0.01 0.16 -0.05 0.00 -0.77 0.00 0.00 57.85 57.20 3i8h n ARG 111 Cb 0.49 -2.20 0.04 0.00 -1.02 0.00 0.00 32.46 29.77 3i8h n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i8h n PRO 112 N -2.14 1.27 -2.98 5.56 -0.04 -1.26 -4.88 135.00 130.53 3i8h n PRO 112 Ca 0.12 -0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 62.57 3i8h n PRO 112 Cb 0.50 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 3i8h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i8h s GLU 113 N -0.69 4.50 0.12 0.54 0.41 -1.26 -4.95 118.70 117.36 3i8h s GLU 113 Ca 0.12 1.07 0.26 0.00 -0.41 0.00 0.00 54.97 56.00 3i8h s GLU 113 Cb 0.10 -3.36 0.97 0.00 -1.78 0.00 0.00 34.13 30.05 3i8h s GLU 113 CO 0.02 0.29 1.79 0.54 -0.49 0.00 0.00 175.26 177.41 3i8h n ARG 114 N 2.79 0.13 -3.99 1.61 1.74 -1.26 -4.68 116.66 113.00 3i8h n ARG 114 Ca -0.02 0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 3i8h n ARG 114 Cb 0.50 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 3i8h n ARG 114 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i8h s ARG 115 N -3.08 2.02 0.46 5.56 0.52 -1.26 -5.02 118.95 118.15 3i8h s ARG 115 Ca 0.11 -0.87 0.34 0.00 -0.52 0.00 0.00 55.73 54.80 3i8h s ARG 115 Cb 0.14 -2.44 1.51 0.00 0.52 0.00 0.00 34.95 34.68 3i8h s ARG 115 CO 0.51 -0.44 1.60 0.00 0.02 0.00 0.00 175.30 176.99 3i8h h ALA 116 N 7.97 2.97 -0.20 2.13 0.00 -1.99 0.11 119.26 130.25 3i8h h ALA 116 Ca -0.27 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3i8h h ALA 116 Cb 1.09 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3i8h h ALA 116 CO 0.47 -1.62 -0.48 0.00 0.00 0.00 0.00 179.25 177.62 3i8h h ALA 117 N 1.51 0.32 -0.06 0.00 0.00 -1.95 -2.82 119.26 116.25 3i8h h ALA 117 Ca 0.87 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3i8h h ALA 117 Cb 2.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.62 3i8h h ALA 117 CO -0.38 0.48 -0.29 -0.39 0.00 0.00 0.00 179.25 178.67 3i8h h VAL 118 N 0.36 1.24 0.62 0.00 -1.51 -1.12 -2.19 116.25 113.65 3i8h h VAL 118 Ca -0.00 -1.12 -0.03 0.00 -1.23 0.00 0.00 66.70 64.32 3i8h h VAL 118 Cb 1.09 1.52 0.01 0.00 -2.13 0.00 0.00 31.29 31.78 3i8h h VAL 118 CO 0.10 0.33 -0.30 0.03 -1.23 0.00 0.00 177.57 176.51 3i8h h ARG 119 N 0.10 -0.80 -0.82 5.19 3.08 -1.40 0.22 114.38 119.95 3i8h h ARG 119 Ca 0.01 0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.32 3i8h h ARG 119 Cb 0.58 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 3i8h h ARG 119 CO 0.04 -0.54 0.56 0.82 -1.07 0.00 0.00 179.97 179.78 3i8h h ILE 120 N -0.98 0.69 0.29 2.04 1.08 -1.51 0.71 117.51 119.83 3i8h h ILE 120 Ca -0.09 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3i8h h ILE 120 Cb 0.64 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3i8h h ILE 120 CO 0.14 0.05 -0.14 0.00 -0.69 0.00 0.00 178.15 177.51 3i8h h ALA 121 N 1.62 -0.76 -0.74 1.87 0.00 -1.19 -2.02 119.26 118.03 3i8h h ALA 121 Ca 0.41 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.36 3i8h h ALA 121 Cb 1.19 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 3i8h h ALA 121 CO -0.11 -0.73 0.33 0.45 0.00 0.00 0.00 179.25 179.20 3i8h h HIS 122 N -0.55 0.58 -0.03 0.00 3.86 0.14 0.17 115.15 119.33 3i8h h HIS 122 Ca -0.04 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3i8h h HIS 122 Cb 0.30 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 3i8h h HIS 122 CO 0.08 0.14 -0.24 1.49 0.86 0.00 0.00 177.93 180.26 3i8h h GLU 123 N 0.52 -0.34 -0.24 2.45 4.57 0.35 0.33 114.58 122.22 3i8h h GLU 123 Ca 0.39 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.63 3i8h h GLU 123 Cb 0.53 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3i8h h GLU 123 CO -0.35 -0.23 0.16 -0.07 -1.18 0.00 0.00 179.01 177.35 3i8h h LEU 124 N -0.36 0.16 0.55 1.64 3.38 -0.46 0.12 115.31 120.35 3i8h h LEU 124 Ca 0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3i8h h LEU 124 Cb 0.45 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3i8h h LEU 124 CO -0.24 0.11 -0.26 0.24 0.09 0.00 0.00 178.44 178.38 3i8h h MET 125 N 0.19 -0.71 0.00 1.13 2.86 0.24 -0.88 114.93 117.76 3i8h h MET 125 Ca 0.10 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3i8h h MET 125 Cb 0.17 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3i8h h MET 125 CO -0.02 -0.41 -0.14 -0.44 1.06 0.00 0.00 176.91 176.97 3i8h h ASP 126 N -0.97 0.00 -0.05 1.22 3.45 -0.34 -2.63 116.42 117.11 3i8h h ASP 126 Ca -0.08 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.18 3i8h h ASP 126 Cb 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 3i8h h ASP 126 CO 0.12 0.14 -0.71 0.00 -1.57 0.00 0.00 179.24 177.22 3i8h h ALA 127 N 1.86 0.44 -0.14 3.45 0.00 -0.65 0.69 119.26 124.91 3i8h h ALA 127 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3i8h h ALA 127 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i8h h ALA 127 CO 0.02 0.70 0.01 0.00 0.00 0.00 0.00 179.25 179.98 3i8h h ALA 128 N 0.71 0.19 -0.75 0.00 0.00 -0.87 -2.71 119.26 115.83 3i8h h ALA 128 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3i8h h ALA 128 Cb 1.32 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3i8h h ALA 128 CO 0.14 -0.12 0.45 0.93 0.00 0.00 0.00 179.25 180.65 3i8h h GLU 129 N -0.01 0.81 0.00 0.00 5.08 -1.48 -3.44 114.58 115.55 3i8h h GLU 129 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i8h h GLU 129 Cb 0.35 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i8h h GLU 129 CO 0.01 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.96 3i8h n GLY 130 N -1.31 1.89 0.00 -3.84 0.00 -0.40 -5.01 105.19 96.52 3i8h n GLY 130 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i8h n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i8h n LYS 131 N -0.46 1.41 -1.80 1.61 2.85 0.21 -5.00 118.16 116.99 3i8h n LYS 131 Ca 0.00 -0.98 -0.37 0.00 -1.05 0.00 0.00 58.31 55.91 3i8h n LYS 131 Cb 0.00 -0.83 0.05 0.00 -0.65 0.00 0.00 35.03 33.61 3i8h n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3i8h s GLY 132 N -0.52 2.85 0.38 2.58 0.00 0.45 -4.84 107.32 108.22 3i8h s GLY 132 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 44.72 45.98 3i8h s GLY 132 CO 0.00 1.67 2.03 -1.33 0.00 0.00 0.00 173.10 175.47 3i8h h GLY 133 N 0.87 0.74 2.00 0.20 0.00 -1.91 0.23 103.07 105.21 3i8h h GLY 133 Ca -0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 3i8h h GLY 133 CO 0.55 0.28 -0.13 0.00 0.00 0.00 0.00 176.54 177.23 3i8h h ALA 134 N 1.66 1.10 -0.06 3.60 0.00 -1.90 -0.97 119.26 122.68 3i8h h ALA 134 Ca 0.19 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3i8h h ALA 134 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i8h h ALA 134 CO -0.04 0.17 -0.36 0.28 0.00 0.00 0.00 179.25 179.30 3i8h h VAL 135 N 0.00 1.28 -0.82 0.00 2.07 -0.88 -2.61 116.25 115.30 3i8h h VAL 135 Ca -0.00 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 3i8h h VAL 135 Cb 0.53 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3i8h h VAL 135 CO 0.02 0.39 0.35 0.11 0.02 0.00 0.00 177.57 178.45 3i8h h LYS 136 N 0.10 1.21 -0.52 1.57 1.79 -0.90 -0.45 116.57 119.37 3i8h h LYS 136 Ca 0.01 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 3i8h h LYS 136 Cb 0.69 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 3i8h h LYS 136 CO 0.05 0.96 0.24 0.87 -1.08 0.00 0.00 179.45 180.50 3i8h h LYS 137 N 1.18 0.76 0.12 3.15 1.79 -1.43 1.01 116.57 123.15 3i8h h LYS 137 Ca 0.28 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 3i8h h LYS 137 Cb 0.19 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3i8h h LYS 137 CO -0.03 0.63 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.59 3i8h h LYS 138 N 0.70 -0.33 0.40 3.15 3.64 -1.26 0.35 116.57 123.21 3i8h h LYS 138 Ca 0.18 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3i8h h LYS 138 Cb 0.13 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3i8h h LYS 138 CO -0.02 -0.22 -0.45 0.93 -2.27 0.00 0.00 179.45 177.42 3i8h h GLU 139 N -0.34 -0.84 -0.69 1.90 5.08 -0.62 -1.59 114.58 117.48 3i8h h GLU 139 Ca 0.02 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 3i8h h GLU 139 Cb 0.35 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 3i8h h GLU 139 CO -0.08 -0.56 0.10 0.22 -1.00 0.00 0.00 179.01 177.69 3i8h h ASP 140 N -0.87 -0.12 -1.00 1.42 3.58 0.13 0.51 116.42 120.07 3i8h h ASP 140 Ca -0.04 0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.59 3i8h h ASP 140 Cb 0.78 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 42.01 3i8h h ASP 140 CO -0.09 -0.08 0.66 0.58 -2.88 0.00 0.00 179.24 177.43 3i8h h VAL 141 N 0.20 1.22 -0.26 2.25 2.07 0.07 -2.98 116.25 118.81 3i8h h VAL 141 Ca 0.38 -0.45 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 3i8h h VAL 141 Cb 0.63 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3i8h h VAL 141 CO -0.52 0.24 -0.38 -0.33 0.02 0.00 0.00 177.57 176.60 3i8h h GLU 142 N 1.32 0.72 -0.95 1.57 5.08 0.05 -2.80 114.58 119.58 3i8h h GLU 142 Ca 0.38 -0.43 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3i8h h GLU 142 Cb -0.09 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 3i8h h GLU 142 CO -0.10 1.05 0.59 0.00 -1.00 0.00 0.00 179.01 179.55 3i8h h ARG 143 N 0.46 0.98 0.50 2.33 3.08 -1.13 0.18 114.38 120.77 3i8h h ARG 143 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3i8h h ARG 143 Cb 0.97 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3i8h h ARG 143 CO 0.09 0.65 -0.47 0.52 -1.07 0.00 0.00 179.97 179.68 3i8h h MET 144 N 1.01 -0.93 -0.38 0.04 2.86 -1.43 0.64 114.93 116.74 3i8h h MET 144 Ca 0.44 0.06 0.07 0.00 -2.06 0.00 0.00 59.70 58.21 3i8h h MET 144 Cb 0.33 0.21 -0.09 0.00 0.06 0.00 0.00 31.60 32.11 3i8h h MET 144 CO -0.22 -0.62 -0.42 0.00 1.06 0.00 0.00 176.91 176.71 3i8h h ALA 145 N -1.00 -0.43 -0.30 6.32 0.00 -1.02 0.05 119.26 122.88 3i8h h ALA 145 Ca -0.06 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3i8h h ALA 145 Cb 0.83 0.87 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 3i8h h ALA 145 CO -0.04 -0.86 -0.14 1.49 0.00 0.00 0.00 179.25 179.70 3i8h h GLU 146 N -0.34 -0.09 -0.15 0.00 4.22 -0.39 -2.86 114.58 114.98 3i8h h GLU 146 Ca 0.13 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.61 3i8h h GLU 146 Cb 0.59 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 3i8h h GLU 146 CO -0.55 -0.06 -0.48 0.00 -2.18 0.00 0.00 179.01 175.74 3i8h h ALA 147 N 1.15 -0.83 0.00 2.92 0.00 0.19 -1.83 119.26 120.86 3i8h h ALA 147 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i8h h ALA 147 Cb 0.33 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i8h h ALA 147 CO -0.36 -1.01 -0.01 0.09 0.00 0.00 0.00 179.25 177.97 3i8h n ASN 148 N -5.06 4.40 0.06 0.00 3.02 -0.16 -4.20 115.26 113.32 3i8h n ASN 148 Ca -0.05 -2.16 0.12 0.00 -0.03 0.00 0.00 54.58 52.45 3i8h n ASN 148 Cb 0.33 -0.94 0.46 0.00 -0.61 0.00 0.00 39.78 39.02 3i8h n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i8h n ARG 149 N 1.61 0.13 0.23 3.52 0.63 -0.69 -3.10 116.66 118.99 3i8h n ARG 149 Ca 0.01 0.21 0.08 0.00 -0.92 0.00 0.00 57.85 57.24 3i8h n ARG 149 Cb 0.42 -1.68 0.56 0.00 0.45 0.00 0.00 32.46 32.20 3i8h n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8h h ALA 150 N 2.58 1.34 -0.63 5.13 0.00 -1.85 -2.14 119.26 123.69 3i8h h ALA 150 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 3i8h h ALA 150 Cb 0.49 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 3i8h h ALA 150 CO 0.00 0.27 0.21 0.66 0.00 0.00 0.00 179.25 180.39 3i8h n TYR 151 N -3.84 2.09 0.30 0.00 4.02 -1.18 -4.48 117.16 114.07 3i8h n TYR 151 Ca -0.02 -1.25 0.19 0.00 -0.01 0.00 0.00 57.90 56.82 3i8h n TYR 151 Cb 0.31 -0.62 0.87 0.00 -0.02 0.00 0.00 39.34 39.88 3i8h n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8h h ALA 152 N 2.23 1.00 0.00 -0.72 0.00 -1.54 -1.95 119.26 118.28 3i8h h ALA 152 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i8h h ALA 152 Cb 2.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3i8h h ALA 152 CO 0.64 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.50 3i8h n HIS 153 N -3.00 0.00 0.06 0.00 1.44 -1.26 -2.68 115.22 109.77 3i8h n HIS 153 Ca -0.01 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.72 3i8h n HIS 153 Cb 0.21 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.35 3i8h n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3i8h n TYR 154 N -0.58 0.08 -1.41 -1.40 0.53 -0.73 -5.05 117.16 108.60 3i8h n TYR 154 Ca 0.03 -0.25 -0.49 0.00 -1.02 0.00 0.00 57.90 56.18 3i8h n TYR 154 Cb 0.02 -0.02 -0.03 0.00 -1.03 0.00 0.00 39.34 38.27 3i8h n TYR 154 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i8h n ARG 155 N 0.06 0.04 0.00 -0.72 0.00 -1.09 -4.96 116.66 109.99 3i8h n ARG 155 Ca 0.03 0.02 0.01 0.00 -0.00 0.00 0.00 57.85 57.91 3i8h n ARG 155 Cb 0.21 -1.06 0.01 0.00 -0.00 0.00 0.00 32.46 31.61 3i8h n ARG 155 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96