#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d h ARG 3 N 0.00 0.00 0.00 0.00 3.08 -2.07 -3.45 114.38 111.94 3i9d h ARG 3 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i9d h ARG 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i9d h ARG 3 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3i9d n ARG 4 N -3.98 0.00 0.00 0.04 1.74 -1.26 -4.91 116.66 108.29 3i9d n ARG 4 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3i9d n ARG 4 Cb 0.11 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 3i9d n ARG 4 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i9d n ARG 5 N -0.15 2.12 -1.92 5.56 1.74 -1.26 -4.99 116.66 117.76 3i9d n ARG 5 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 3i9d n ARG 5 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3i9d n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i9d n ARG 6 N 0.00 0.63 -0.69 5.56 0.63 -1.26 -5.05 116.66 116.48 3i9d n ARG 6 Ca 0.00 -2.21 0.00 0.00 -0.92 0.00 0.00 57.85 54.72 3i9d n ARG 6 Cb 0.00 -0.35 0.00 0.00 0.45 0.00 0.00 32.46 32.56 3i9d n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9d n ALA 7 N -0.09 -1.02 -1.57 5.13 0.00 -1.26 -4.70 120.51 117.00 3i9d n ALA 7 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.91 3i9d n ALA 7 Cb 0.95 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 3i9d n ALA 7 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i9d n GLU 8 N 1.26 0.98 -1.69 0.00 4.71 -1.26 -4.80 120.64 119.84 3i9d n GLU 8 Ca 0.00 0.35 -0.43 0.00 -0.01 0.00 0.00 57.16 57.07 3i9d n GLU 8 Cb 0.01 -1.91 -0.03 0.00 -1.01 0.00 0.00 31.44 28.50 3i9d n GLU 8 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3i9d s VAL 9 N 0.15 3.11 0.46 2.62 1.01 -1.26 -4.89 120.40 121.59 3i9d s VAL 9 Ca 0.81 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.68 3i9d s VAL 9 Cb -0.96 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 3i9d s VAL 9 CO 0.50 -0.10 0.87 -1.14 0.00 0.00 0.00 175.10 175.24 3i9d n ARG 10 N 8.69 1.06 -2.46 2.72 0.63 -1.26 -4.99 116.66 121.05 3i9d n ARG 10 Ca 0.28 0.39 -0.24 0.00 -0.92 0.00 0.00 57.85 57.36 3i9d n ARG 10 Cb 0.45 -1.92 0.09 0.00 0.45 0.00 0.00 32.46 31.54 3i9d n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3i9d s GLN 11 N -2.03 1.84 -0.06 -0.14 2.00 -1.26 -5.13 119.66 114.88 3i9d s GLN 11 Ca 0.65 -0.82 -0.02 0.00 -2.00 0.00 0.00 55.36 53.17 3i9d s GLN 11 Cb -0.54 -2.28 0.04 0.00 0.80 0.00 0.00 33.01 31.02 3i9d s GLN 11 CO 0.55 -1.36 0.11 -0.51 -0.50 0.00 0.00 175.29 173.59 3i9d s LEU 12 N -5.16 0.47 -0.15 3.68 2.01 -1.26 -5.11 118.68 113.15 3i9d s LEU 12 Ca 0.64 0.22 -0.29 0.00 0.01 0.00 0.00 54.13 54.72 3i9d s LEU 12 Cb -0.07 0.17 -0.06 0.00 0.01 0.00 0.00 46.19 46.24 3i9d s LEU 12 CO 0.44 -0.19 2.15 -1.10 1.01 0.00 0.00 176.35 178.66 3i9d s GLN 13 N 1.64 3.40 0.49 1.70 -0.21 -1.26 -4.82 119.66 120.60 3i9d s GLN 13 Ca -0.03 2.18 -0.18 0.00 0.02 0.00 0.00 55.36 57.35 3i9d s GLN 13 Cb -0.12 -4.32 -0.15 0.00 1.00 0.00 0.00 33.01 29.43 3i9d s GLN 13 CO -0.05 -1.80 -0.12 -2.30 -2.12 0.00 0.00 175.29 168.90 3i9d n PRO 14 N 8.43 0.00 -1.72 2.91 -0.02 -1.26 -4.83 135.00 138.50 3i9d n PRO 14 Ca 0.27 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 3i9d n PRO 14 Cb 0.44 -0.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.91 3i9d n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i9d s ASP 15 N -0.98 6.37 -0.02 2.55 3.68 -1.08 -4.77 116.67 122.41 3i9d s ASP 15 Ca 0.56 2.89 0.09 0.00 2.13 0.00 0.00 52.55 58.22 3i9d s ASP 15 Cb -0.49 -2.60 0.31 0.00 -1.45 0.00 0.00 42.92 38.69 3i9d s ASP 15 CO 0.65 -0.97 1.20 0.18 0.13 0.00 0.00 175.17 176.35 3i9d n LEU 16 N 3.80 2.07 0.00 -1.34 4.77 -1.26 -1.10 117.00 123.94 3i9d n LEU 16 Ca 0.15 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3i9d n LEU 16 Cb 0.35 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3i9d n LEU 16 CO 0.64 0.43 -0.22 0.52 -1.33 0.00 0.00 177.39 177.43 3i9d n VAL 17 N 0.42 0.00 -0.01 4.08 0.31 -1.26 -4.84 118.33 117.03 3i9d n VAL 17 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3i9d n VAL 17 Cb 0.37 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3i9d n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3i9d n TYR 18 N -1.34 0.00 -2.93 3.52 4.02 -1.26 -5.04 117.16 114.13 3i9d n TYR 18 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 3i9d n TYR 18 Cb 0.22 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.60 3i9d n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9d n GLY 19 N 0.81 -0.25 3.00 2.72 0.00 -0.26 -4.97 105.19 106.24 3i9d n GLY 19 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3i9d n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i9d s ASP 20 N -3.76 -0.15 0.05 1.61 -1.08 -1.25 -4.64 116.67 107.46 3i9d s ASP 20 Ca 0.10 0.44 -0.16 0.00 -0.52 0.00 0.00 52.55 52.41 3i9d s ASP 20 Cb -0.01 0.34 -0.06 0.00 -1.46 0.00 0.00 42.92 41.72 3i9d s ASP 20 CO 0.52 -0.17 1.25 -0.37 0.52 0.00 0.00 175.17 176.93 3i9d h VAL 21 N 5.98 0.00 -0.67 1.11 -1.51 -1.89 -2.57 116.25 116.69 3i9d h VAL 21 Ca -0.40 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.19 3i9d h VAL 21 Cb 1.15 0.00 -0.11 0.00 -2.13 0.00 0.00 31.29 30.19 3i9d h VAL 21 CO 0.37 0.00 -0.23 -0.11 -1.23 0.00 0.00 177.57 176.37 3i9d n LEU 22 N -3.85 -0.38 -0.02 4.19 7.94 -1.26 -0.36 117.00 123.26 3i9d n LEU 22 Ca -0.03 1.17 -0.08 0.00 -1.11 0.00 0.00 56.01 55.95 3i9d n LEU 22 Cb 0.18 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.78 3i9d n LEU 22 CO 0.06 -1.07 0.50 0.58 -1.11 0.00 0.00 177.39 176.35 3i9d h VAL 23 N 0.00 0.00 -0.97 1.96 2.07 -1.90 -1.58 116.25 115.83 3i9d h VAL 23 Ca 0.26 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.94 3i9d h VAL 23 Cb 0.43 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.04 3i9d h VAL 23 CO -0.68 0.00 -0.35 0.35 0.02 0.00 0.00 177.57 176.92 3i9d n THR 24 N -4.19 -0.49 -0.19 2.57 -2.24 0.52 -0.11 114.28 110.16 3i9d n THR 24 Ca -0.03 2.26 -0.12 0.00 -2.27 0.00 0.00 64.05 63.89 3i9d n THR 24 Cb 0.21 -3.01 -0.09 0.00 -2.10 0.00 0.00 70.33 65.34 3i9d n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9d h ALA 25 N 1.47 -0.67 -0.41 6.98 0.00 -1.04 0.45 119.26 126.03 3i9d h ALA 25 Ca 0.37 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.42 3i9d h ALA 25 Cb 0.61 1.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 3i9d h ALA 25 CO -0.97 -0.94 0.30 0.35 0.00 0.00 0.00 179.25 177.99 3i9d h PHE 26 N -0.26 0.00 0.48 0.00 3.57 0.04 -2.27 116.94 118.50 3i9d h PHE 26 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3i9d h PHE 26 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3i9d h PHE 26 CO -0.79 0.00 -0.23 0.82 -2.23 0.00 0.00 178.31 175.87 3i9d h ILE 27 N 0.00 0.00 -0.89 1.41 5.03 0.11 -3.25 117.51 119.92 3i9d h ILE 27 Ca 0.20 -0.20 0.19 0.00 -0.12 0.00 0.00 64.86 64.93 3i9d h ILE 27 Cb 0.79 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.41 3i9d h ILE 27 CO -0.00 0.00 -0.17 0.59 -0.68 0.00 0.00 178.15 177.89 3i9d n ASN 28 N -4.28 -0.27 -0.34 1.72 3.02 -0.05 0.11 115.26 115.16 3i9d n ASN 28 Ca -0.08 1.53 0.15 0.00 -0.03 0.00 0.00 54.58 56.15 3i9d n ASN 28 Cb 0.25 -0.48 0.36 0.00 -0.61 0.00 0.00 39.78 39.31 3i9d n ASN 28 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3i9d h LYS 29 N 0.00 0.65 0.00 3.52 1.79 -1.50 1.10 116.57 122.13 3i9d h LYS 29 Ca 0.45 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 3i9d h LYS 29 Cb 0.75 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3i9d h LYS 29 CO -0.90 0.43 0.00 -0.89 -1.08 0.00 0.00 179.45 177.01 3i9d n ILE 30 N -4.76 0.51 -2.56 1.86 2.08 0.30 -4.70 119.36 112.10 3i9d n ILE 30 Ca 0.24 0.13 -0.43 0.00 0.56 0.00 0.00 62.75 63.25 3i9d n ILE 30 Cb 0.64 -0.78 -0.02 0.00 -0.75 0.00 0.00 39.64 38.73 3i9d n ILE 30 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 3i9d s MET 31 N -2.85 3.99 -0.10 0.38 1.75 0.38 -4.81 119.30 118.04 3i9d s MET 31 Ca 0.13 1.10 -0.02 0.00 -1.25 0.00 0.00 55.69 55.66 3i9d s MET 31 Cb 0.14 -3.80 -0.03 0.00 2.84 0.00 0.00 34.83 33.97 3i9d s MET 31 CO 0.35 -1.01 -0.03 0.50 -0.65 0.00 0.00 175.02 174.18 3i9d s ARG 32 N 3.89 3.11 -1.91 4.11 3.52 -1.26 -4.51 118.95 125.89 3i9d s ARG 32 Ca 0.50 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 3i9d s ARG 32 Cb -0.13 -2.77 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 3i9d s ARG 32 CO 0.19 0.57 0.00 -0.25 -0.81 0.00 0.00 175.30 175.00 3i9d n ASP 33 N 2.55 -5.23 0.00 -2.12 8.00 -1.26 -2.76 116.55 115.73 3i9d n ASP 33 Ca -0.18 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3i9d n ASP 33 Cb 0.53 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 3i9d n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i9d n GLY 34 N -0.75 2.80 3.57 0.44 0.00 -1.26 -4.92 105.19 105.06 3i9d n GLY 34 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 3i9d n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9d s LYS 35 N 0.00 1.72 0.26 1.61 2.20 -1.11 -4.72 119.74 119.70 3i9d s LYS 35 Ca 0.00 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.53 3i9d s LYS 35 Cb 0.00 -4.95 0.32 0.00 -1.51 0.00 0.00 37.83 31.69 3i9d s LYS 35 CO 0.00 -4.58 1.60 -0.22 -0.36 0.00 0.00 175.35 171.79 3i9d h LYS 36 N 11.73 0.12 -0.18 4.03 3.64 -1.91 -3.33 116.57 130.67 3i9d h LYS 36 Ca 0.05 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3i9d h LYS 36 Cb 0.99 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3i9d h LYS 36 CO 1.07 0.68 -0.27 -0.97 -2.27 0.00 0.00 179.45 177.69 3i9d h ASN 37 N 0.09 -0.89 -0.96 4.20 -0.73 -2.00 -1.04 115.58 114.25 3i9d h ASN 37 Ca -0.01 0.11 0.25 0.00 1.87 0.00 0.00 56.30 58.53 3i9d h ASN 37 Cb 1.07 0.36 -0.06 0.00 0.27 0.00 0.00 38.32 39.96 3i9d h ASN 37 CO 0.08 -0.20 0.66 0.25 -0.37 0.00 0.00 177.43 177.85 3i9d h LEU 38 N -0.20 0.24 0.91 0.34 5.85 -1.98 -2.70 115.31 117.77 3i9d h LEU 38 Ca 0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3i9d h LEU 38 Cb 0.29 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3i9d h LEU 38 CO -0.28 0.08 -0.48 0.00 -0.34 0.00 0.00 178.44 177.42 3i9d h ALA 39 N 1.57 -1.31 -0.03 1.25 0.00 -1.30 -1.42 119.26 118.02 3i9d h ALA 39 Ca 0.49 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3i9d h ALA 39 Cb 1.53 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.82 3i9d h ALA 39 CO -0.13 -1.24 -0.35 0.00 0.00 0.00 0.00 179.25 177.52 3i9d h ALA 40 N -1.24 -0.51 -1.26 0.00 0.00 -1.31 -0.68 119.26 114.25 3i9d h ALA 40 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i9d h ALA 40 Cb 1.00 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3i9d h ALA 40 CO 0.17 -0.87 0.00 0.54 0.00 0.00 0.00 179.25 179.10 3i9d n ARG 41 N -5.43 0.00 -0.31 0.00 1.74 -1.09 -0.93 116.66 110.65 3i9d n ARG 41 Ca -0.05 0.65 0.11 0.00 -0.77 0.00 0.00 57.85 57.79 3i9d n ARG 41 Cb 0.34 -1.08 0.25 0.00 -1.02 0.00 0.00 32.46 30.96 3i9d n ARG 41 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3i9d h ILE 42 N 0.00 0.18 -0.80 0.55 2.04 -1.05 -0.33 117.51 118.10 3i9d h ILE 42 Ca 0.00 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.99 3i9d h ILE 42 Cb 0.00 0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 36.07 3i9d h ILE 42 CO 0.00 0.01 0.34 0.15 0.00 0.00 0.00 178.15 178.65 3i9d h PHE 43 N 0.08 0.57 0.16 1.37 3.57 0.55 -2.57 116.94 120.67 3i9d h PHE 43 Ca 0.53 0.04 -0.29 0.00 3.53 0.00 0.00 57.97 61.78 3i9d h PHE 43 Cb 1.05 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.67 3i9d h PHE 43 CO -0.43 0.07 -1.30 1.88 -2.23 0.00 0.00 178.31 176.30 3i9d h TYR 44 N 0.47 0.60 -0.54 0.41 -1.99 -0.58 -2.90 116.97 112.44 3i9d h TYR 44 Ca 0.45 -0.44 0.16 0.00 2.00 0.00 0.00 58.73 60.89 3i9d h TYR 44 Cb 0.70 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.38 3i9d h TYR 44 CO -0.15 1.34 0.60 -0.44 -0.00 0.00 0.00 178.16 179.51 3i9d h ASP 45 N 0.09 0.00 0.14 3.88 3.45 -0.95 1.45 116.42 124.47 3i9d h ASP 45 Ca -0.16 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.06 3i9d h ASP 45 Cb 2.02 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.80 3i9d h ASP 45 CO 0.22 0.00 -1.12 0.00 -1.57 0.00 0.00 179.24 176.77 3i9d h ALA 46 N 1.31 0.01 -0.32 3.45 0.00 -1.45 -3.12 119.26 119.15 3i9d h ALA 46 Ca 0.25 -0.87 0.05 0.00 0.00 0.00 0.00 54.91 54.35 3i9d h ALA 46 Cb 1.45 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3i9d h ALA 46 CO -0.00 0.59 0.22 0.00 0.00 0.00 0.00 179.25 180.05 3i9d h LYS 48 N 0.21 0.00 -0.00 0.00 3.64 0.10 -2.38 116.57 118.14 3i9d h LYS 48 Ca 0.14 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 3i9d h LYS 48 Cb 0.30 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3i9d h LYS 48 CO -0.02 0.26 -0.83 0.82 -2.27 0.00 0.00 179.45 177.40 3i9d h ILE 49 N 0.00 1.52 0.00 2.00 1.08 0.90 -3.01 117.51 120.01 3i9d h ILE 49 Ca -0.00 -2.64 0.00 0.00 -0.39 0.00 0.00 64.86 61.83 3i9d h ILE 49 Cb 0.52 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 3i9d h ILE 49 CO 0.03 0.76 0.00 -0.38 -0.69 0.00 0.00 178.15 177.88 3i9d n ILE 50 N -3.64 0.00 0.00 -0.67 2.08 -0.73 -3.07 119.36 113.33 3i9d n ILE 50 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3i9d n ILE 50 Cb 0.78 -0.36 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 3i9d n ILE 50 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9d n GLN 51 N -0.09 0.00 -0.13 0.38 1.13 -1.14 -3.39 117.38 114.15 3i9d n GLN 51 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3i9d n GLN 51 Cb 0.18 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.56 3i9d n GLN 51 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3i9d h GLU 52 N 0.00 0.33 0.03 -1.09 4.81 -1.75 -3.09 114.58 113.82 3i9d h GLU 52 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i9d h GLU 52 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3i9d h GLU 52 CO 0.00 0.22 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.17 3i9d h LYS 53 N 0.34 -0.15 -4.90 1.92 1.63 -1.83 -3.38 116.57 110.20 3i9d h LYS 53 Ca 0.19 0.01 -0.67 0.00 -0.85 0.00 0.00 60.65 59.33 3i9d h LYS 53 Cb 0.16 0.03 -0.29 0.00 -0.60 0.00 0.00 32.23 31.53 3i9d h LYS 53 CO -0.18 -0.10 -0.70 -0.08 -3.45 0.00 0.00 179.45 174.94 3i9d s THR 54 N -3.54 3.34 -0.96 1.00 -1.32 -1.17 -5.02 115.64 107.98 3i9d s THR 54 Ca -0.03 -0.78 -0.25 0.00 -1.21 0.00 0.00 61.69 59.41 3i9d s THR 54 Cb 0.01 -2.66 -0.14 0.00 -1.51 0.00 0.00 72.50 68.20 3i9d s THR 54 CO 0.12 0.22 2.16 -0.83 -2.21 0.00 0.00 174.62 174.07 3i9d s GLY 55 N 1.42 -0.55 0.00 6.08 0.00 -1.19 -3.62 107.32 109.47 3i9d s GLY 55 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3i9d s GLY 55 CO -0.02 3.99 0.00 -1.06 0.00 0.00 0.00 173.10 176.01 3i9d n GLN 56 N 8.57 0.00 -3.94 2.90 1.13 -1.22 -5.09 117.38 119.74 3i9d n GLN 56 Ca 0.44 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 55.20 3i9d n GLN 56 Cb 0.45 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.66 3i9d n GLN 56 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3i9d s GLU 57 N -0.83 1.87 0.48 -1.09 8.01 -1.26 -4.70 118.70 121.19 3i9d s GLU 57 Ca 0.00 -2.50 0.30 0.00 0.01 0.00 0.00 54.97 52.78 3i9d s GLU 57 Cb 0.00 -3.23 1.03 0.00 -4.31 0.00 0.00 34.13 27.62 3i9d s GLU 57 CO 0.00 -1.10 1.16 -0.35 0.01 0.00 0.00 175.26 174.98 3i9d n PRO 58 N 3.25 0.01 0.32 0.39 -0.04 -1.26 0.19 135.00 137.86 3i9d n PRO 58 Ca 0.05 0.86 0.20 0.00 -0.04 0.00 0.00 63.50 64.58 3i9d n PRO 58 Cb 0.33 -2.09 1.08 0.00 -0.04 0.00 0.00 33.50 32.78 3i9d n PRO 58 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3i9d h LEU 59 N 0.00 0.00 0.00 1.53 5.85 -1.96 -0.84 115.31 119.90 3i9d h LEU 59 Ca 0.56 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.96 3i9d h LEU 59 Cb 2.72 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.70 3i9d h LEU 59 CO -0.01 0.01 -1.73 0.29 -0.34 0.00 0.00 178.44 176.66 3i9d n LYS 60 N -3.22 0.57 -0.27 1.25 5.02 0.50 -3.24 118.16 118.77 3i9d n LYS 60 Ca -0.02 0.46 -0.07 0.00 -2.02 0.00 0.00 58.31 56.65 3i9d n LYS 60 Cb 0.12 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 3i9d n LYS 60 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i9d h VAL 61 N -1.00 0.06 0.00 -0.18 2.07 -1.51 0.21 116.25 115.90 3i9d h VAL 61 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3i9d h VAL 61 Cb 1.41 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3i9d h VAL 61 CO -0.29 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.63 3i9d n PHE 62 N -5.40 0.00 0.18 1.57 7.35 -0.34 -1.27 117.46 119.55 3i9d n PHE 62 Ca 0.03 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.81 3i9d n PHE 62 Cb 0.35 -0.11 0.14 0.00 0.35 0.00 0.00 39.48 40.21 3i9d n PHE 62 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3i9d h LYS 63 N 0.00 0.00 0.00 -4.13 1.63 -1.42 -1.84 116.57 110.81 3i9d h LYS 63 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i9d h LYS 63 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3i9d h LYS 63 CO 0.00 0.00 -0.33 0.37 -3.45 0.00 0.00 179.45 176.04 3i9d h GLN 64 N 0.00 0.00 -0.19 1.90 5.75 0.41 -3.33 115.11 119.65 3i9d h GLN 64 Ca 0.14 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.69 3i9d h GLN 64 Cb 2.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.78 3i9d h GLN 64 CO -0.00 0.01 0.49 0.00 -2.65 0.00 0.00 178.83 176.68 3i9d h ALA 65 N -0.99 1.75 0.00 3.38 0.00 -0.34 1.06 119.26 124.11 3i9d h ALA 65 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i9d h ALA 65 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i9d h ALA 65 CO -0.00 -0.59 -0.23 0.28 0.00 0.00 0.00 179.25 178.71 3i9d h VAL 66 N 0.00 0.51 0.04 0.00 2.07 -1.60 -2.80 116.25 114.47 3i9d h VAL 66 Ca 0.09 -1.21 -0.29 0.00 0.82 0.00 0.00 66.70 66.11 3i9d h VAL 66 Cb 1.08 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3i9d h VAL 66 CO -0.00 0.22 -1.60 -0.08 0.02 0.00 0.00 177.57 176.13 3i9d h GLU 67 N 0.00 0.08 -0.16 1.57 4.57 0.11 -3.25 114.58 117.51 3i9d h GLU 67 Ca -0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3i9d h GLU 67 Cb 0.83 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3i9d h GLU 67 CO 0.03 0.79 0.00 0.09 -1.18 0.00 0.00 179.01 178.74 3i9d n ASN 68 N -3.23 1.02 -0.04 1.04 3.02 -1.03 -2.95 115.26 113.08 3i9d n ASN 68 Ca -0.16 -1.84 0.01 0.00 -0.03 0.00 0.00 54.58 52.57 3i9d n ASN 68 Cb 1.03 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 40.12 3i9d n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i9d n VAL 69 N -0.01 0.83 -3.19 2.41 0.31 -1.06 -4.83 118.33 112.79 3i9d n VAL 69 Ca 0.10 -0.89 -0.43 0.00 -0.01 0.00 0.00 64.34 63.11 3i9d n VAL 69 Cb 0.19 0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 33.55 3i9d n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i9d s LYS 70 N -0.98 3.18 0.08 5.55 1.02 -1.15 -4.16 119.74 123.28 3i9d s LYS 70 Ca 0.05 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.11 3i9d s LYS 70 Cb 0.04 -3.99 -0.08 0.00 -0.52 0.00 0.00 37.83 33.28 3i9d s LYS 70 CO 0.00 -1.01 1.49 -1.25 -0.92 0.00 0.00 175.35 173.67 3i9d s PRO 71 N 2.55 4.26 0.10 -1.68 0.04 -1.26 -4.92 135.00 134.08 3i9d s PRO 71 Ca 0.17 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 3i9d s PRO 71 Cb -0.16 -3.41 -0.16 0.00 0.04 0.00 0.00 34.50 30.80 3i9d s PRO 71 CO 0.16 -0.58 1.27 0.00 0.04 0.00 0.00 177.00 177.89 3i9d h ARG 72 N 7.48 0.70 -3.05 4.56 3.08 -1.91 -3.41 114.38 121.82 3i9d h ARG 72 Ca -0.41 -0.65 -0.13 0.00 0.07 0.00 0.00 59.98 58.86 3i9d h ARG 72 Cb 1.20 0.16 -0.22 0.00 0.08 0.00 0.00 29.97 31.18 3i9d h ARG 72 CO 0.90 1.25 -0.33 -1.64 -1.07 0.00 0.00 179.97 179.08 3i9d s MET 73 N -3.54 0.52 0.10 0.04 -1.94 -1.26 -2.39 119.30 110.83 3i9d s MET 73 Ca -0.09 0.07 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 3i9d s MET 73 Cb 0.08 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 37.12 3i9d s MET 73 CO 0.90 -0.11 -0.11 -1.83 -0.01 0.00 0.00 175.02 173.86 3i9d s GLU 74 N -0.67 0.88 0.22 2.03 -1.05 -1.01 -4.21 118.70 114.89 3i9d s GLU 74 Ca -0.08 -1.16 -0.12 0.00 -0.15 0.00 0.00 54.97 53.46 3i9d s GLU 74 Cb -0.04 -0.61 -0.07 0.00 -0.44 0.00 0.00 34.13 32.97 3i9d s GLU 74 CO 0.02 0.10 0.58 0.14 0.95 0.00 0.00 175.26 177.06 3i9d s VAL 75 N -2.35 4.86 -0.23 1.83 -7.23 -1.26 -1.02 120.40 115.00 3i9d s VAL 75 Ca 0.06 0.67 -0.09 0.00 -1.81 0.00 0.00 61.98 60.81 3i9d s VAL 75 Cb -0.03 -3.66 0.10 0.00 0.56 0.00 0.00 36.38 33.35 3i9d s VAL 75 CO 0.01 0.01 0.51 -0.60 -0.31 0.00 0.00 175.10 174.71 3i9d s ARG 76 N -2.58 0.43 -0.39 4.82 3.52 -0.09 -4.95 118.95 119.72 3i9d s ARG 76 Ca 0.46 1.15 -0.29 0.00 -0.13 0.00 0.00 55.73 56.92 3i9d s ARG 76 Cb -0.12 0.45 -0.08 0.00 -1.56 0.00 0.00 34.95 33.64 3i9d s ARG 76 CO 0.20 -0.22 2.31 -1.13 -0.81 0.00 0.00 175.30 175.65 3i9d n SER 77 N 5.23 2.51 -1.68 -2.12 3.41 -1.26 -2.40 113.62 117.31 3i9d n SER 77 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3i9d n SER 77 Cb 0.50 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3i9d n SER 77 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i9d n ARG 78 N 8.71 1.29 -3.64 4.33 3.00 -1.25 -4.92 116.66 124.17 3i9d n ARG 78 Ca 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.19 3i9d n ARG 78 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.80 3i9d n ARG 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i9d s ARG 79 N -0.53 0.31 0.03 -0.14 3.52 -1.26 -3.67 118.95 117.21 3i9d s ARG 79 Ca 0.00 0.47 -0.27 0.00 -0.13 0.00 0.00 55.73 55.80 3i9d s ARG 79 Cb 0.00 0.10 0.09 0.00 -1.56 0.00 0.00 34.95 33.58 3i9d s ARG 79 CO 0.00 -0.05 0.77 0.08 -0.81 0.00 0.00 175.30 175.28 3i9d s VAL 80 N 0.83 0.00 -1.73 7.11 1.01 -1.21 -4.96 120.40 121.46 3i9d s VAL 80 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3i9d s VAL 80 Cb -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3i9d s VAL 80 CO -0.12 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.59 3i9d n GLY 81 N 0.00 1.55 2.14 4.51 0.00 -1.26 -2.05 105.19 110.09 3i9d n GLY 81 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 3i9d n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 82 N -0.28 0.68 3.19 -0.02 0.00 -1.26 -5.04 105.19 102.46 3i9d n GLY 82 Ca -0.16 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 3i9d n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d s ALA 83 N -2.20 1.23 -0.23 4.61 0.00 -0.87 -5.14 121.76 119.16 3i9d s ALA 83 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 3i9d s ALA 83 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 3i9d s ALA 83 CO 0.00 0.06 -0.02 1.21 0.00 0.00 0.00 175.76 177.01 3i9d s ASN 84 N -2.24 4.44 0.00 0.00 2.47 -1.26 -3.31 114.94 115.04 3i9d s ASN 84 Ca 0.04 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.87 3i9d s ASN 84 Cb -0.06 -1.76 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 3i9d s ASN 84 CO 0.02 -0.05 0.00 -1.22 -3.72 0.00 0.00 177.10 172.13 3i9d n TYR 85 N 4.80 0.00 -3.12 0.43 0.53 -1.24 -5.00 117.16 113.56 3i9d n TYR 85 Ca -0.17 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 56.53 3i9d n TYR 85 Cb 0.50 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.76 3i9d n TYR 85 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3i9d n GLN 86 N 0.00 0.39 -2.47 -0.72 6.02 -1.26 -3.91 117.38 115.43 3i9d n GLN 86 Ca 0.00 -2.71 -0.42 0.00 -0.01 0.00 0.00 57.00 53.86 3i9d n GLN 86 Cb 0.00 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 3i9d n GLN 86 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i9d s VAL 87 N 0.24 4.29 0.14 5.09 1.01 -1.01 -4.58 120.40 125.58 3i9d s VAL 87 Ca 0.32 1.61 -0.23 0.00 0.00 0.00 0.00 61.98 63.68 3i9d s VAL 87 Cb 0.05 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 3i9d s VAL 87 CO -0.14 -0.03 0.70 -2.16 0.00 0.00 0.00 175.10 173.46 3i9d s PRO 88 N 2.44 4.41 -0.14 2.72 0.04 -1.26 -0.91 135.00 142.30 3i9d s PRO 88 Ca 0.55 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 3i9d s PRO 88 Cb -0.24 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.20 3i9d s PRO 88 CO 0.20 0.59 0.96 0.00 0.04 0.00 0.00 177.00 178.78 3i9d s MET 89 N -1.19 0.66 0.18 4.56 0.23 -0.19 -4.86 119.30 118.68 3i9d s MET 89 Ca 0.34 0.14 -0.22 0.00 -1.03 0.00 0.00 55.69 54.91 3i9d s MET 89 Cb -0.21 0.31 -0.14 0.00 -1.53 0.00 0.00 34.83 33.26 3i9d s MET 89 CO 0.23 -0.21 0.39 0.39 -2.03 0.00 0.00 175.02 173.80 3i9d n GLU 90 N 0.71 0.00 -3.44 3.16 1.02 -1.26 -2.39 120.64 118.43 3i9d n GLU 90 Ca -0.11 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.66 3i9d n GLU 90 Cb 0.58 -0.81 -0.06 0.00 -0.02 0.00 0.00 31.44 31.12 3i9d n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i9d s VAL 91 N -0.86 5.20 0.13 2.62 1.01 -1.01 -4.76 120.40 122.73 3i9d s VAL 91 Ca 0.52 0.77 -0.35 0.00 0.00 0.00 0.00 61.98 62.92 3i9d s VAL 91 Cb -0.74 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 31.77 3i9d s VAL 91 CO 0.46 0.41 1.42 -0.24 0.00 0.00 0.00 175.10 177.15 3i9d n SER 92 N 3.19 2.24 -0.18 3.32 2.88 -1.26 -4.69 113.62 119.12 3i9d n SER 92 Ca -0.10 1.11 -0.03 0.00 -1.33 0.00 0.00 58.87 58.51 3i9d n SER 92 Cb 0.52 -1.30 0.04 0.00 -0.75 0.00 0.00 64.21 62.72 3i9d n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i9d h PRO 93 N 4.98 -0.08 0.16 -1.46 0.13 -1.98 0.60 132.00 134.36 3i9d h PRO 93 Ca -0.46 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3i9d h PRO 93 Cb 1.30 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 3i9d h PRO 93 CO 0.81 -0.05 -0.45 -0.09 -0.23 0.00 0.00 178.00 178.00 3i9d h ARG 94 N -0.08 -0.65 -0.58 0.86 9.65 -2.02 -2.86 114.38 118.69 3i9d h ARG 94 Ca 0.26 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.26 3i9d h ARG 94 Cb 0.48 0.15 -0.10 0.00 -1.39 0.00 0.00 29.97 29.11 3i9d h ARG 94 CO -0.61 -0.44 -0.51 -0.09 2.80 0.00 0.00 179.97 181.12 3i9d h ARG 95 N -0.68 -0.25 -0.24 0.20 2.43 -1.44 -2.74 114.38 111.67 3i9d h ARG 95 Ca -0.01 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3i9d h ARG 95 Cb 0.66 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3i9d h ARG 95 CO -0.21 -0.17 -0.14 1.04 -1.51 0.00 0.00 179.97 178.98 3i9d n GLN 96 N -5.37 -0.10 -0.21 0.20 6.02 0.19 -0.71 117.38 117.40 3i9d n GLN 96 Ca -0.00 0.87 -0.06 0.00 -0.01 0.00 0.00 57.00 57.80 3i9d n GLN 96 Cb 0.33 -1.29 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 3i9d n GLN 96 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3i9d h GLN 97 N 0.00 -0.01 -0.42 -1.09 4.15 -1.44 0.37 115.11 116.67 3i9d h GLN 97 Ca 0.04 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.54 3i9d h GLN 97 Cb 0.10 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 3i9d h GLN 97 CO -0.22 -0.00 -0.34 0.66 -1.93 0.00 0.00 178.83 176.99 3i9d h SER 98 N -0.01 -1.14 -0.71 -0.69 4.64 -1.05 0.87 113.55 115.46 3i9d h SER 98 Ca 0.08 0.20 0.14 0.00 -0.47 0.00 0.00 61.79 61.74 3i9d h SER 98 Cb 0.21 0.53 -0.10 0.00 -0.31 0.00 0.00 62.40 62.74 3i9d h SER 98 CO -0.47 -0.33 0.23 -0.07 -0.87 0.00 0.00 176.83 175.32 3i9d h LEU 99 N -0.25 0.15 0.60 5.97 3.38 0.61 0.54 115.31 126.30 3i9d h LEU 99 Ca 0.17 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3i9d h LEU 99 Cb 0.55 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.43 3i9d h LEU 99 CO -0.56 0.05 -0.29 0.00 0.09 0.00 0.00 178.44 177.73 3i9d h ALA 100 N 1.55 -0.80 -0.69 1.53 0.00 0.23 -1.91 119.26 119.16 3i9d h ALA 100 Ca 0.39 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.23 3i9d h ALA 100 Cb 0.61 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 3i9d h ALA 100 CO -0.43 -0.83 -0.26 -0.07 0.00 0.00 0.00 179.25 177.66 3i9d h LEU 101 N -1.04 -0.93 0.08 0.00 3.38 0.14 -0.58 115.31 116.37 3i9d h LEU 101 Ca -0.08 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i9d h LEU 101 Cb 0.67 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3i9d h LEU 101 CO 0.13 -0.27 -0.15 -0.09 0.09 0.00 0.00 178.44 178.15 3i9d h ARG 102 N -0.07 -0.24 -0.62 1.13 2.43 0.11 -2.83 114.38 114.28 3i9d h ARG 102 Ca 0.30 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.61 3i9d h ARG 102 Cb 0.55 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.03 3i9d h ARG 102 CO -0.74 -0.16 -0.21 -1.49 -1.51 0.00 0.00 179.97 175.87 3i9d h TRP 103 N -0.25 -0.49 0.00 2.20 6.55 -0.99 -2.26 115.95 120.70 3i9d h TRP 103 Ca -0.01 0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.89 3i9d h TRP 103 Cb 0.23 0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.85 3i9d h TRP 103 CO -0.24 -0.31 0.00 1.28 -1.05 0.00 0.00 178.44 178.12 3i9d n LEU 104 N -5.44 0.00 -0.33 -4.49 7.99 -0.25 0.26 117.00 114.73 3i9d n LEU 104 Ca 0.07 0.71 0.10 0.00 -0.01 0.00 0.00 56.01 56.88 3i9d n LEU 104 Cb 0.34 -0.32 0.30 0.00 -0.11 0.00 0.00 43.42 43.63 3i9d n LEU 104 CO 0.03 -0.32 1.22 0.58 -1.51 0.00 0.00 177.39 177.40 3i9d h VAL 105 N 0.00 0.86 -0.38 4.08 2.07 -1.27 0.52 116.25 122.13 3i9d h VAL 105 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3i9d h VAL 105 Cb 0.00 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 3i9d h VAL 105 CO 0.00 0.16 0.23 1.56 0.02 0.00 0.00 177.57 179.54 3i9d h GLN 106 N 0.86 0.52 -0.40 1.57 4.20 -0.18 0.22 115.11 121.90 3i9d h GLN 106 Ca 0.49 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.15 3i9d h GLN 106 Cb 0.64 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3i9d h GLN 106 CO -0.26 0.39 0.23 0.00 -0.67 0.00 0.00 178.83 178.51 3i9d h ALA 107 N 1.10 0.52 -0.07 3.87 0.00 0.96 -2.78 119.26 122.86 3i9d h ALA 107 Ca 0.14 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3i9d h ALA 107 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3i9d h ALA 107 CO -0.03 0.03 -0.45 0.00 0.00 0.00 0.00 179.25 178.81 3i9d h ALA 108 N 1.09 -0.69 0.00 0.00 0.00 -0.26 0.41 119.26 119.81 3i9d h ALA 108 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i9d h ALA 108 Cb 0.04 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3i9d h ALA 108 CO -0.02 -0.98 0.00 0.09 0.00 0.00 0.00 179.25 178.34 3i9d n ASN 109 N -5.45 0.00 -0.06 0.00 3.02 0.00 -0.59 115.26 112.19 3i9d n ASN 109 Ca -0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.46 3i9d n ASN 109 Cb 0.37 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 3i9d n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i9d n GLN 110 N -0.77 1.40 -1.58 3.52 6.02 0.14 -5.00 117.38 121.11 3i9d n GLN 110 Ca 0.00 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.58 3i9d n GLN 110 Cb 0.00 -1.37 0.06 0.00 1.02 0.00 0.00 30.24 29.95 3i9d n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i9d n ARG 111 N -2.44 0.81 0.00 -1.09 1.74 0.25 -4.89 116.66 111.03 3i9d n ARG 111 Ca -0.20 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 57.34 3i9d n ARG 111 Cb 0.86 -2.19 0.69 0.00 -1.02 0.00 0.00 32.46 30.80 3i9d n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i9d n PRO 112 N -1.24 0.46 -1.30 5.56 -0.04 -1.26 -4.92 135.00 132.27 3i9d n PRO 112 Ca 0.14 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.27 3i9d n PRO 112 Cb 0.48 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.50 3i9d n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i9d n GLU 113 N -1.24 0.34 0.04 0.54 -0.58 -1.26 -4.95 120.64 113.54 3i9d n GLU 113 Ca 0.14 0.15 -0.22 0.00 -0.42 0.00 0.00 57.16 56.81 3i9d n GLU 113 Cb 0.19 -1.81 -0.14 0.00 -0.57 0.00 0.00 31.44 29.11 3i9d n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9d h ARG 114 N -0.26 0.31 0.00 3.49 2.47 -1.99 -3.48 114.38 114.92 3i9d h ARG 114 Ca -0.46 -0.53 -0.45 0.00 -1.26 0.00 0.00 59.98 57.28 3i9d h ARG 114 Cb 1.36 0.20 0.13 0.00 -1.65 0.00 0.00 29.97 30.00 3i9d h ARG 114 CO 0.43 1.26 0.26 0.54 0.56 0.00 0.00 179.97 183.01 3i9d n ARG 115 N -3.77 -0.66 0.00 0.04 1.74 -1.26 -5.09 116.66 107.66 3i9d n ARG 115 Ca -0.25 -2.45 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 3i9d n ARG 115 Cb 0.98 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 3i9d n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9d n ALA 116 N -3.34 0.00 -0.26 7.54 0.00 -1.26 -4.21 120.51 118.98 3i9d n ALA 116 Ca -0.19 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.48 3i9d n ALA 116 Cb 0.59 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.45 3i9d n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d n ALA 117 N -3.00 0.78 -0.33 0.00 0.00 -1.26 0.12 120.51 116.81 3i9d n ALA 117 Ca 0.00 0.61 0.17 0.00 0.00 0.00 0.00 53.44 54.22 3i9d n ALA 117 Cb 0.00 -0.67 0.38 0.00 0.00 0.00 0.00 19.45 19.16 3i9d n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i9d h VAL 118 N 0.00 0.48 -0.05 0.00 -1.51 -1.89 0.84 116.25 114.13 3i9d h VAL 118 Ca 0.56 -0.17 -0.19 0.00 -1.23 0.00 0.00 66.70 65.67 3i9d h VAL 118 Cb 1.65 -0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3i9d h VAL 118 CO -0.40 0.09 -0.79 0.03 -1.23 0.00 0.00 177.57 175.27 3i9d h ARG 119 N 0.49 0.37 0.00 5.19 3.08 0.71 -2.83 114.38 121.39 3i9d h ARG 119 Ca 0.64 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3i9d h ARG 119 Cb 1.25 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 3i9d h ARG 119 CO -0.51 0.99 -0.08 0.82 -1.07 0.00 0.00 179.97 180.12 3i9d h ILE 120 N 0.24 0.22 0.00 2.04 1.08 0.44 -2.54 117.51 118.98 3i9d h ILE 120 Ca -0.04 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3i9d h ILE 120 Cb 1.39 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.69 3i9d h ILE 120 CO 0.13 0.08 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 3i9d n ALA 121 N -2.15 -0.03 -0.32 1.87 0.00 0.16 -2.10 120.51 117.94 3i9d n ALA 121 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 3i9d n ALA 121 Cb 0.32 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.23 3i9d n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i9d h HIS 122 N 0.00 0.78 -0.14 0.00 3.86 -1.61 3.10 115.15 121.13 3i9d h HIS 122 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3i9d h HIS 122 Cb 0.00 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3i9d h HIS 122 CO 0.01 0.10 0.01 1.49 0.86 0.00 0.00 177.93 180.41 3i9d h GLU 123 N 0.49 0.24 0.00 2.45 4.57 -1.61 0.89 114.58 121.61 3i9d h GLU 123 Ca 0.59 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 3i9d h GLU 123 Cb 1.31 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3i9d h GLU 123 CO -0.33 0.44 -0.15 1.25 -1.18 0.00 0.00 179.01 179.05 3i9d h LEU 124 N 0.01 0.00 0.05 1.64 6.46 0.12 -0.97 115.31 122.62 3i9d h LEU 124 Ca 0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3i9d h LEU 124 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3i9d h LEU 124 CO 0.00 0.15 -0.02 0.24 -0.62 0.00 0.00 178.44 178.19 3i9d h MET 125 N 0.00 -0.06 0.00 1.25 2.86 0.58 -2.90 114.93 116.66 3i9d h MET 125 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i9d h MET 125 Cb 0.61 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3i9d h MET 125 CO 0.02 0.21 0.00 -0.44 1.06 0.00 0.00 176.91 177.75 3i9d h ASP 126 N -1.00 0.00 0.71 1.22 3.45 0.77 -2.19 116.42 119.38 3i9d h ASP 126 Ca -0.01 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.37 3i9d h ASP 126 Cb 0.30 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 3i9d h ASP 126 CO 0.01 0.00 -1.35 0.00 -1.57 0.00 0.00 179.24 176.33 3i9d n ALA 127 N -1.80 2.26 -0.19 3.45 0.00 -0.37 -0.21 120.51 123.65 3i9d n ALA 127 Ca 0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.93 3i9d n ALA 127 Cb 0.24 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.74 3i9d n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d h ALA 128 N 1.71 0.72 0.46 0.00 0.00 -1.18 -3.17 119.26 117.80 3i9d h ALA 128 Ca -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3i9d h ALA 128 Cb 1.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i9d h ALA 128 CO 0.02 0.42 -0.22 0.93 0.00 0.00 0.00 179.25 180.40 3i9d h GLU 129 N 0.77 -0.59 0.00 0.00 5.08 -1.64 -3.39 114.58 114.81 3i9d h GLU 129 Ca 0.17 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3i9d h GLU 129 Cb 0.34 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3i9d h GLU 129 CO 0.00 -0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.05 3i9d n GLY 130 N 0.17 -0.16 0.48 -3.84 0.00 -0.97 -5.03 105.19 95.83 3i9d n GLY 130 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3i9d n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i9d n LYS 131 N 0.00 2.89 -2.10 1.61 2.85 0.71 -4.97 118.16 119.14 3i9d n LYS 131 Ca 0.00 -1.95 -0.35 0.00 -1.05 0.00 0.00 58.31 54.96 3i9d n LYS 131 Cb 0.00 -1.22 0.02 0.00 -0.65 0.00 0.00 35.03 33.18 3i9d n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3i9d s GLY 132 N -1.06 2.60 0.48 2.58 0.00 0.16 -4.88 107.32 107.20 3i9d s GLY 132 Ca 0.18 0.84 0.24 0.00 0.00 0.00 0.00 44.72 45.99 3i9d s GLY 132 CO 0.11 1.21 1.99 -1.33 0.00 0.00 0.00 173.10 175.08 3i9d h GLY 133 N 0.92 0.00 2.00 0.20 0.00 -1.92 -0.51 103.07 103.76 3i9d h GLY 133 Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3i9d h GLY 133 CO 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 177.07 3i9d h ALA 134 N 1.82 1.00 0.00 3.60 0.00 -1.91 -2.37 119.26 121.41 3i9d h ALA 134 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3i9d h ALA 134 Cb 0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3i9d h ALA 134 CO 0.02 0.03 -0.87 0.28 0.00 0.00 0.00 179.25 178.71 3i9d h VAL 135 N 0.00 1.57 -0.61 0.00 2.07 -1.41 -3.20 116.25 114.67 3i9d h VAL 135 Ca -0.00 -3.04 0.09 0.00 0.82 0.00 0.00 66.70 64.56 3i9d h VAL 135 Cb 0.59 2.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 3i9d h VAL 135 CO 0.00 0.85 0.26 0.11 0.02 0.00 0.00 177.57 178.81 3i9d h LYS 136 N 0.00 0.45 -0.06 1.57 1.79 -1.33 0.34 116.57 119.33 3i9d h LYS 136 Ca -0.01 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3i9d h LYS 136 Cb 1.59 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 32.11 3i9d h LYS 136 CO 0.11 0.30 -0.15 0.87 -1.08 0.00 0.00 179.45 179.50 3i9d h LYS 137 N 0.46 -0.21 0.36 3.15 1.79 -1.62 0.37 116.57 120.87 3i9d h LYS 137 Ca 0.30 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 3i9d h LYS 137 Cb 0.34 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3i9d h LYS 137 CO -0.28 -0.14 -0.19 -0.22 -1.08 0.00 0.00 179.45 177.54 3i9d h LYS 138 N -0.22 -0.50 -0.83 3.15 3.64 -1.37 0.47 116.57 120.92 3i9d h LYS 138 Ca 0.07 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.64 3i9d h LYS 138 Cb 0.32 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.16 3i9d h LYS 138 CO -0.19 -0.33 0.38 0.93 -2.27 0.00 0.00 179.45 177.97 3i9d h GLU 139 N -0.52 0.51 -0.11 1.90 5.08 -0.09 -1.50 114.58 119.85 3i9d h GLU 139 Ca -0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3i9d h GLU 139 Cb 0.41 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i9d h GLU 139 CO 0.06 0.34 -0.04 0.22 -1.00 0.00 0.00 179.01 178.59 3i9d h ASP 140 N 0.52 0.22 0.00 1.42 3.58 0.22 -1.98 116.42 120.41 3i9d h ASP 140 Ca 0.46 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3i9d h ASP 140 Cb 0.72 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.70 3i9d h ASP 140 CO -0.41 0.57 0.00 0.52 -2.88 0.00 0.00 179.24 177.04 3i9d n VAL 141 N -4.73 0.00 0.00 2.25 0.31 0.16 -1.07 118.33 115.25 3i9d n VAL 141 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3i9d n VAL 141 Cb 0.26 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 3i9d n VAL 141 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9d n GLU 142 N 0.22 0.00 -0.34 5.55 1.02 -1.00 -4.16 120.64 121.93 3i9d n GLU 142 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3i9d n GLU 142 Cb 0.04 -0.68 0.26 0.00 -0.02 0.00 0.00 31.44 31.04 3i9d n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i9d h ARG 143 N 0.00 0.93 0.23 3.49 3.08 -0.35 -0.21 114.38 121.55 3i9d h ARG 143 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3i9d h ARG 143 Cb 0.61 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3i9d h ARG 143 CO 0.00 0.62 -0.12 0.52 -1.07 0.00 0.00 179.97 179.92 3i9d h MET 144 N 0.96 -0.30 0.00 0.04 2.86 -1.71 0.24 114.93 117.01 3i9d h MET 144 Ca 0.48 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 3i9d h MET 144 Cb 0.49 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3i9d h MET 144 CO -0.24 -0.20 0.35 0.00 1.06 0.00 0.00 176.91 177.88 3i9d h ALA 145 N -1.81 1.32 0.03 6.32 0.00 -1.72 0.61 119.26 124.01 3i9d h ALA 145 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3i9d h ALA 145 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i9d h ALA 145 CO 0.05 -0.32 -0.95 0.93 0.00 0.00 0.00 179.25 178.96 3i9d h GLU 146 N 0.00 0.07 -0.32 0.00 4.39 -0.65 -3.28 114.58 114.79 3i9d h GLU 146 Ca 0.00 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.61 3i9d h GLU 146 Cb 0.71 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3i9d h GLU 146 CO 0.00 1.05 0.14 0.00 -1.16 0.00 0.00 179.01 179.05 3i9d h ALA 147 N -0.23 0.38 -0.15 3.43 0.00 0.17 -1.38 119.26 121.49 3i9d h ALA 147 Ca -0.24 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3i9d h ALA 147 Cb 1.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3i9d h ALA 147 CO -0.08 -0.24 0.03 0.09 0.00 0.00 0.00 179.25 179.05 3i9d n ASN 148 N -4.97 2.28 0.00 0.00 5.03 -0.64 -4.33 115.26 112.63 3i9d n ASN 148 Ca -0.00 -2.24 0.00 0.00 0.87 0.00 0.00 54.58 53.21 3i9d n ASN 148 Cb 0.09 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 3i9d n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3i9d n ARG 149 N 0.14 0.00 0.07 3.52 0.63 -0.52 -2.95 116.66 117.55 3i9d n ARG 149 Ca 0.08 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.97 3i9d n ARG 149 Cb 0.52 -1.30 -0.02 0.00 0.45 0.00 0.00 32.46 32.11 3i9d n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9d h ALA 150 N 1.36 -0.30 0.00 5.13 0.00 -1.84 -3.32 119.26 120.29 3i9d h ALA 150 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i9d h ALA 150 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i9d h ALA 150 CO 0.00 -0.28 0.00 0.66 0.00 0.00 0.00 179.25 179.63 3i9d n TYR 151 N -4.61 0.00 0.13 0.00 4.02 -1.15 -3.98 117.16 111.57 3i9d n TYR 151 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.94 3i9d n TYR 151 Cb 0.11 -0.05 0.42 0.00 -0.02 0.00 0.00 39.34 39.80 3i9d n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i9d n ALA 152 N -0.14 0.90 1.62 -0.72 0.00 -1.25 -0.12 120.51 120.80 3i9d n ALA 152 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3i9d n ALA 152 Cb 0.12 -1.10 0.77 0.00 0.00 0.00 0.00 19.45 19.25 3i9d n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i9d n HIS 153 N -2.05 0.00 -0.83 0.00 1.44 -1.26 -2.46 115.22 110.07 3i9d n HIS 153 Ca -0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.78 3i9d n HIS 153 Cb 0.12 0.00 0.23 0.00 0.12 0.00 0.00 29.99 30.46 3i9d n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3i9d n TYR 154 N -1.00 0.82 -0.51 -1.40 0.53 0.83 -5.03 117.16 111.41 3i9d n TYR 154 Ca 0.19 -0.80 -0.29 0.00 -1.02 0.00 0.00 57.90 55.98 3i9d n TYR 154 Cb 0.09 -0.25 0.24 0.00 -1.03 0.00 0.00 39.34 38.39 3i9d n TYR 154 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i9d n ARG 155 N -0.32 -2.09 0.00 -0.72 0.00 -1.03 -4.99 116.66 107.50 3i9d n ARG 155 Ca 0.19 -0.57 0.00 0.00 -0.00 0.00 0.00 57.85 57.47 3i9d n ARG 155 Cb 0.79 -2.20 0.00 0.00 -0.00 0.00 0.00 32.46 31.05 3i9d n ARG 155 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96