#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr h ARG 3 N 0.00 0.24 0.00 0.00 2.43 -2.07 -3.44 114.38 111.54 1xnr h ARG 3 Ca 0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1xnr h ARG 3 Cb 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xnr h ARG 3 CO 0.00 1.20 0.00 0.54 -1.51 0.00 0.00 179.97 180.20 1xnr n ARG 4 N -3.86 0.00 -4.28 0.20 1.74 -1.26 -4.92 116.66 104.29 1xnr n ARG 4 Ca -0.27 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.49 1xnr n ARG 4 Cb 0.92 -0.87 -0.09 0.00 -1.02 0.00 0.00 32.46 31.41 1xnr n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xnr s ARG 5 N -0.74 2.84 -1.06 5.56 0.52 -1.26 -5.01 118.95 119.80 1xnr s ARG 5 Ca 0.00 -0.57 -0.25 0.00 -0.52 0.00 0.00 55.73 54.39 1xnr s ARG 5 Cb 0.00 -2.71 -0.15 0.00 0.52 0.00 0.00 34.95 32.61 1xnr s ARG 5 CO 0.00 0.64 2.08 1.03 0.02 0.00 0.00 175.30 179.07 1xnr s ARG 6 N -1.47 1.80 -0.07 3.54 0.52 -1.26 -4.84 118.95 117.17 1xnr s ARG 6 Ca 0.19 -0.53 -0.20 0.00 -0.52 0.00 0.00 55.73 54.67 1xnr s ARG 6 Cb -0.12 -5.05 -0.10 0.00 0.52 0.00 0.00 34.95 30.21 1xnr s ARG 6 CO 0.09 -4.66 0.59 0.00 0.02 0.00 0.00 175.30 171.34 1xnr n ALA 7 N 17.28 -1.65 -1.78 2.13 0.00 -1.26 -4.87 120.51 130.36 1xnr n ALA 7 Ca 0.43 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.78 1xnr n ALA 7 Cb 0.46 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1xnr n ALA 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1xnr s GLU 8 N 0.40 4.19 -0.22 0.00 4.04 -1.26 -4.95 118.70 120.90 1xnr s GLU 8 Ca 0.46 1.54 -0.29 0.00 0.04 0.00 0.00 54.97 56.72 1xnr s GLU 8 Cb -0.64 -2.59 -0.03 0.00 0.02 0.00 0.00 34.13 30.88 1xnr s GLU 8 CO 0.31 -0.12 1.79 0.08 -1.84 0.00 0.00 175.26 175.47 1xnr s VAL 9 N -1.62 3.47 0.31 1.83 1.01 -1.26 -4.93 120.40 119.21 1xnr s VAL 9 Ca 0.57 0.52 -0.28 0.00 0.00 0.00 0.00 61.98 62.78 1xnr s VAL 9 Cb -0.23 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 1xnr s VAL 9 CO 0.29 -0.26 1.11 -1.14 0.00 0.00 0.00 175.10 175.10 1xnr n ARG 10 N 8.01 1.62 -3.48 2.72 0.63 -1.26 -4.98 116.66 119.93 1xnr n ARG 10 Ca 0.22 0.57 -0.27 0.00 -0.92 0.00 0.00 57.85 57.45 1xnr n ARG 10 Cb 0.45 -2.02 -0.03 0.00 0.45 0.00 0.00 32.46 31.32 1xnr n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1xnr s GLN 11 N -1.65 3.55 0.02 -0.14 2.00 -1.26 -5.11 119.66 117.07 1xnr s GLN 11 Ca 0.58 -0.21 0.05 0.00 -2.00 0.00 0.00 55.36 53.78 1xnr s GLN 11 Cb -0.66 -2.72 -0.02 0.00 0.80 0.00 0.00 33.01 30.42 1xnr s GLN 11 CO 0.61 0.26 -0.17 -0.51 -0.50 0.00 0.00 175.29 174.98 1xnr s LEU 12 N -3.68 2.11 -0.02 3.68 2.01 -1.26 -5.12 118.68 116.40 1xnr s LEU 12 Ca 0.41 -0.40 -0.30 0.00 0.01 0.00 0.00 54.13 53.84 1xnr s LEU 12 Cb -0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 46.19 45.27 1xnr s LEU 12 CO 0.31 0.13 1.21 -1.10 1.01 0.00 0.00 176.35 177.91 1xnr s GLN 13 N -0.83 4.37 1.07 1.70 -1.52 -1.26 -4.90 119.66 118.29 1xnr s GLN 13 Ca 0.05 1.71 -0.22 0.00 -1.95 0.00 0.00 55.36 54.95 1xnr s GLN 13 Cb -0.07 -3.51 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 1xnr s GLN 13 CO 0.01 -0.40 -0.56 -0.35 -0.25 0.00 0.00 175.29 173.74 1xnr n PRO 14 N 4.87 -1.00 -1.77 2.91 -0.04 -1.26 -4.81 135.00 133.91 1xnr n PRO 14 Ca 0.10 -0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 62.87 1xnr n PRO 14 Cb 0.46 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1xnr n PRO 14 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xnr n ASP 15 N 0.25 3.78 0.00 3.54 4.64 -1.00 -4.71 116.55 123.05 1xnr n ASP 15 Ca -0.00 1.21 0.01 0.00 -1.38 0.00 0.00 54.79 54.62 1xnr n ASP 15 Cb 0.67 -1.61 0.05 0.00 -1.04 0.00 0.00 41.12 39.19 1xnr n ASP 15 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1xnr n LEU 16 N 0.87 0.00 0.14 -2.67 7.99 -1.26 -1.76 117.00 120.30 1xnr n LEU 16 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1xnr n LEU 16 Cb 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1xnr n LEU 16 CO 0.64 0.00 0.00 0.52 -1.51 0.00 0.00 177.39 177.04 1xnr n VAL 17 N -0.53 0.00 0.90 4.08 0.31 -1.26 -4.88 118.33 116.95 1xnr n VAL 17 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.45 1xnr n VAL 17 Cb 0.01 -0.48 0.10 0.00 -0.91 0.00 0.00 33.84 32.55 1xnr n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1xnr n TYR 18 N -3.38 0.06 -3.05 3.52 4.02 -1.26 -4.96 117.16 112.11 1xnr n TYR 18 Ca 0.00 0.02 -0.20 0.00 -0.01 0.00 0.00 57.90 57.71 1xnr n TYR 18 Cb 0.00 -0.23 0.04 0.00 -0.02 0.00 0.00 39.34 39.14 1xnr n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xnr n GLY 19 N 1.47 -0.37 3.34 2.72 0.00 -0.72 -4.82 105.19 106.81 1xnr n GLY 19 Ca 0.04 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1xnr n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xnr s ASP 20 N -2.87 3.91 0.10 1.61 -1.08 -1.26 -4.05 116.67 113.02 1xnr s ASP 20 Ca 0.33 -0.37 -0.22 0.00 -0.52 0.00 0.00 52.55 51.76 1xnr s ASP 20 Cb -0.14 -1.60 -0.12 0.00 -1.46 0.00 0.00 42.92 39.59 1xnr s ASP 20 CO 0.40 0.14 1.74 -0.37 0.52 0.00 0.00 175.17 177.60 1xnr h VAL 21 N 5.49 0.97 -0.53 1.11 -1.51 -1.89 -2.58 116.25 117.32 1xnr h VAL 21 Ca -0.28 -0.01 0.10 0.00 -1.23 0.00 0.00 66.70 65.29 1xnr h VAL 21 Cb 1.21 0.95 -0.11 0.00 -2.13 0.00 0.00 31.29 31.21 1xnr h VAL 21 CO 0.56 0.00 -0.25 0.25 -1.23 0.00 0.00 177.57 176.90 1xnr h LEU 22 N 0.02 -0.87 -0.17 4.19 5.85 -1.96 -1.97 115.31 120.40 1xnr h LEU 22 Ca 0.02 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1xnr h LEU 22 Cb 0.02 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1xnr h LEU 22 CO -0.03 -0.27 -0.50 0.58 -0.34 0.00 0.00 178.44 177.88 1xnr h VAL 23 N -0.13 0.00 -0.85 1.05 2.07 -1.93 -1.42 116.25 115.04 1xnr h VAL 23 Ca 0.24 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.89 1xnr h VAL 23 Cb 0.50 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.13 1xnr h VAL 23 CO -0.60 0.00 -0.38 0.74 0.02 0.00 0.00 177.57 177.35 1xnr h THR 24 N -0.51 0.06 -0.52 2.57 2.02 -1.17 0.29 112.91 115.65 1xnr h THR 24 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1xnr h THR 24 Cb 0.61 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 1xnr h THR 24 CO -0.43 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.08 1xnr h ALA 25 N 1.20 -0.44 -0.76 6.16 0.00 -0.71 0.26 119.26 124.96 1xnr h ALA 25 Ca 0.30 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.44 1xnr h ALA 25 Cb 0.58 1.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.40 1xnr h ALA 25 CO -0.88 -0.68 0.09 0.35 0.00 0.00 0.00 179.25 178.13 1xnr h PHE 26 N -0.08 0.11 -0.32 0.00 3.57 0.21 0.84 116.94 121.27 1xnr h PHE 26 Ca 0.09 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1xnr h PHE 26 Cb 0.30 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1xnr h PHE 26 CO -0.90 -0.19 0.19 0.82 -2.23 0.00 0.00 178.31 176.00 1xnr h ILE 27 N 0.17 1.09 -0.19 1.41 2.04 0.16 -1.36 117.51 120.83 1xnr h ILE 27 Ca 0.43 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 66.02 1xnr h ILE 27 Cb 0.78 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1xnr h ILE 27 CO -0.61 0.10 -0.08 0.78 0.00 0.00 0.00 178.15 178.33 1xnr h ASN 28 N 0.43 0.41 -0.56 1.72 4.21 0.38 -0.02 115.58 122.15 1xnr h ASN 28 Ca 0.11 -0.40 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 1xnr h ASN 28 Cb -0.01 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.05 1xnr h ASN 28 CO -0.02 0.72 0.30 0.11 -1.29 0.00 0.00 177.43 177.25 1xnr h LYS 29 N 0.09 0.82 -0.48 0.81 1.79 -0.74 -1.10 116.57 117.76 1xnr h LYS 29 Ca 0.04 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1xnr h LYS 29 Cb 0.56 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1xnr h LYS 29 CO 0.03 0.62 0.09 0.82 -1.08 0.00 0.00 179.45 179.93 1xnr h ILE 30 N 0.82 1.24 -3.96 1.86 2.04 -1.11 -3.44 117.51 114.97 1xnr h ILE 30 Ca 0.21 -0.89 -0.56 0.00 1.00 0.00 0.00 64.86 64.62 1xnr h ILE 30 Cb 0.06 0.90 0.15 0.00 -0.74 0.00 0.00 36.82 37.19 1xnr h ILE 30 CO -0.03 0.32 0.53 0.80 0.00 0.00 0.00 178.15 179.76 1xnr n MET 31 N -4.45 1.49 -3.82 2.37 1.56 -0.03 -4.96 117.12 109.28 1xnr n MET 31 Ca 0.01 0.56 -0.10 0.00 -0.27 0.00 0.00 57.70 57.89 1xnr n MET 31 Cb 0.24 -2.51 -0.08 0.00 2.15 0.00 0.00 33.22 33.02 1xnr n MET 31 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 1xnr s ARG 32 N -2.94 0.76 -1.48 2.12 1.70 -1.26 -4.84 118.95 113.00 1xnr s ARG 32 Ca 0.74 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 55.33 1xnr s ARG 32 Cb -0.41 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 1xnr s ARG 32 CO 0.47 -0.23 0.00 -0.25 -1.08 0.00 0.00 175.30 174.21 1xnr n ASP 33 N 0.49 -4.42 -0.90 -2.89 8.00 -1.26 -1.63 116.55 113.94 1xnr n ASP 33 Ca -0.18 0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 1xnr n ASP 33 Cb 0.60 -3.78 -0.05 0.00 -0.02 0.00 0.00 41.12 37.87 1xnr n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xnr n GLY 34 N -0.13 1.23 2.95 0.44 0.00 -1.26 -4.93 105.19 103.49 1xnr n GLY 34 Ca -0.14 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1xnr n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xnr n LYS 35 N -2.65 3.67 0.00 1.61 5.02 -0.65 -4.81 118.16 120.36 1xnr n LYS 35 Ca -0.12 -3.67 0.02 0.00 -2.02 0.00 0.00 58.31 52.53 1xnr n LYS 35 Cb 0.39 -2.90 0.10 0.00 -0.02 0.00 0.00 35.03 32.60 1xnr n LYS 35 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xnr n LYS 36 N 3.81 0.09 -0.00 1.97 4.81 -1.26 -3.17 118.16 124.41 1xnr n LYS 36 Ca 0.38 0.10 -0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1xnr n LYS 36 Cb 0.37 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.92 1xnr n LYS 36 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1xnr h ASN 37 N 0.00 0.00 -1.61 3.14 -0.00 -1.99 -3.17 115.58 111.95 1xnr h ASN 37 Ca 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 56.30 56.77 1xnr h ASN 37 Cb 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.27 1xnr h ASN 37 CO 0.00 0.04 1.35 0.25 -0.00 0.00 0.00 177.43 179.07 1xnr h LEU 38 N -0.06 0.00 0.20 0.34 5.85 -1.98 0.76 115.31 120.42 1xnr h LEU 38 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xnr h LEU 38 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1xnr h LEU 38 CO 0.00 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 178.01 1xnr h ALA 39 N 0.81 -0.48 -0.84 1.25 0.00 -1.70 -2.68 119.26 115.62 1xnr h ALA 39 Ca 0.76 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.72 1xnr h ALA 39 Cb 3.46 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 21.23 1xnr h ALA 39 CO -0.01 -0.46 -0.40 0.00 0.00 0.00 0.00 179.25 178.38 1xnr n ALA 40 N -2.35 -0.30 -0.37 0.00 0.00 0.25 -0.67 120.51 117.07 1xnr n ALA 40 Ca -0.03 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1xnr n ALA 40 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1xnr n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xnr n ARG 41 N -5.15 0.00 -0.04 0.00 1.74 -0.44 -2.05 116.66 110.72 1xnr n ARG 41 Ca 0.05 0.63 -0.01 0.00 -0.77 0.00 0.00 57.85 57.76 1xnr n ARG 41 Cb 0.28 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.40 1xnr n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1xnr n ILE 42 N -1.96 -0.07 -0.25 0.55 5.41 0.15 0.13 119.36 123.32 1xnr n ILE 42 Ca 0.00 0.92 0.32 0.00 1.00 0.00 0.00 62.75 64.99 1xnr n ILE 42 Cb 0.00 -1.20 0.74 0.00 -0.71 0.00 0.00 39.64 38.46 1xnr n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1xnr h PHE 43 N 0.00 0.00 0.00 1.39 3.57 -1.10 -0.79 116.94 120.01 1xnr h PHE 43 Ca 0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1xnr h PHE 43 Cb 0.04 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1xnr h PHE 43 CO -0.53 0.00 -0.34 1.88 -2.23 0.00 0.00 178.31 177.09 1xnr h TYR 44 N 0.00 0.00 -1.15 0.41 0.99 0.17 -2.49 116.97 114.90 1xnr h TYR 44 Ca 0.50 0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.60 1xnr h TYR 44 Cb 2.02 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 39.61 1xnr h TYR 44 CO 0.00 0.80 0.71 -0.44 -0.00 0.00 0.00 178.16 179.23 1xnr h ASP 45 N -1.00 0.36 0.37 3.88 3.32 0.27 0.73 116.42 124.35 1xnr h ASP 45 Ca -0.08 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1xnr h ASP 45 Cb 0.81 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1xnr h ASP 45 CO -0.05 -0.16 -0.18 0.00 -1.72 0.00 0.00 179.24 177.14 1xnr h ALA 46 N 1.72 -0.49 -1.26 3.45 0.00 -1.24 -2.83 119.26 118.61 1xnr h ALA 46 Ca 0.77 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.86 1xnr h ALA 46 Cb 2.13 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 20.04 1xnr h ALA 46 CO -0.50 -0.62 0.89 0.00 0.00 0.00 0.00 179.25 179.02 1xnr h LYS 48 N 0.05 0.88 -0.22 0.00 1.57 -1.00 -3.21 116.57 114.64 1xnr h LYS 48 Ca 0.62 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1xnr h LYS 48 Cb 2.34 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.69 1xnr h LYS 48 CO -0.06 1.16 -0.31 0.82 -0.57 0.00 0.00 179.45 180.49 1xnr h ILE 49 N 0.69 1.28 0.00 1.86 2.04 0.10 -1.76 117.51 121.73 1xnr h ILE 49 Ca 0.03 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1xnr h ILE 49 Cb 1.09 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1xnr h ILE 49 CO 0.11 0.43 0.00 -0.38 0.00 0.00 0.00 178.15 178.31 1xnr n ILE 50 N -4.09 0.00 -0.07 -0.67 -0.00 -0.72 -1.67 119.36 112.14 1xnr n ILE 50 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.65 1xnr n ILE 50 Cb 0.44 -0.80 -0.03 0.00 -0.00 0.00 0.00 39.64 39.25 1xnr n ILE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1xnr n GLN 51 N -0.95 0.43 0.00 0.38 1.13 -0.71 -2.95 117.38 114.71 1xnr n GLN 51 Ca 0.07 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1xnr n GLN 51 Cb 0.03 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1xnr n GLN 51 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1xnr n GLU 52 N -4.24 0.00 0.00 -1.09 1.02 -0.89 -0.25 120.64 115.20 1xnr n GLU 52 Ca -0.15 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1xnr n GLU 52 Cb 0.47 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1xnr n GLU 52 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xnr n LYS 53 N -1.25 -0.11 -3.86 3.49 4.01 -0.67 -5.07 118.16 114.69 1xnr n LYS 53 Ca 0.00 -0.12 -0.10 0.00 -0.51 0.00 0.00 58.31 57.58 1xnr n LYS 53 Cb 0.15 -0.60 -0.09 0.00 -0.51 0.00 0.00 35.03 33.99 1xnr n LYS 53 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1xnr s THR 54 N -0.02 0.11 0.04 -0.18 2.01 0.66 -5.04 115.64 113.22 1xnr s THR 54 Ca 0.00 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1xnr s THR 54 Cb 0.00 -0.87 -0.28 0.00 0.01 0.00 0.00 72.50 71.36 1xnr s THR 54 CO 0.00 -0.51 0.98 1.23 -0.69 0.00 0.00 174.62 175.64 1xnr h GLY 55 N 3.57 0.30 -1.17 4.40 0.00 -1.79 -3.37 103.07 105.02 1xnr h GLY 55 Ca -0.32 -0.76 -0.49 0.00 0.00 0.00 0.00 47.33 45.75 1xnr h GLY 55 CO 0.48 0.67 0.26 1.20 0.00 0.00 0.00 176.54 179.15 1xnr s GLN 56 N -2.63 1.49 0.67 4.80 1.11 -1.26 -5.01 119.66 118.82 1xnr s GLN 56 Ca -0.07 0.96 -0.15 0.00 0.01 0.00 0.00 55.36 56.11 1xnr s GLN 56 Cb 0.07 -1.82 0.01 0.00 -1.01 0.00 0.00 33.01 30.25 1xnr s GLN 56 CO 0.87 -2.12 1.15 -1.21 0.01 0.00 0.00 175.29 173.98 1xnr s GLU 57 N -4.90 2.62 0.02 2.91 2.02 -1.26 -4.67 118.70 115.43 1xnr s GLU 57 Ca 0.63 1.54 -0.09 0.00 0.02 0.00 0.00 54.97 57.07 1xnr s GLU 57 Cb -0.18 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 1xnr s GLU 57 CO 0.57 -1.42 1.14 -1.00 0.02 0.00 0.00 175.26 174.56 1xnr h PRO 58 N 0.02 -0.25 -0.50 0.39 0.13 -1.88 -3.02 132.00 126.89 1xnr h PRO 58 Ca -0.47 0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1xnr h PRO 58 Cb 1.27 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 1xnr h PRO 58 CO 0.53 -0.17 -0.36 1.25 -0.23 0.00 0.00 178.00 179.02 1xnr h LEU 59 N -0.26 -1.22 -0.94 1.56 5.85 -1.94 0.13 115.31 118.50 1xnr h LEU 59 Ca -0.02 0.22 0.38 0.00 0.84 0.00 0.00 57.88 59.30 1xnr h LEU 59 Cb 0.22 0.57 -0.15 0.00 0.37 0.00 0.00 40.66 41.67 1xnr h LEU 59 CO -0.01 -0.32 0.53 1.17 -0.34 0.00 0.00 178.44 179.47 1xnr n LYS 60 N -5.42 -0.05 0.08 1.25 3.00 -1.20 -0.27 118.16 115.54 1xnr n LYS 60 Ca 0.02 1.19 -0.11 0.00 -0.00 0.00 0.00 58.31 59.42 1xnr n LYS 60 Cb 0.35 -2.18 -0.07 0.00 0.00 0.00 0.00 35.03 33.12 1xnr n LYS 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xnr h VAL 61 N 0.00 0.77 -0.23 3.15 2.07 -0.61 -3.19 116.25 118.20 1xnr h VAL 61 Ca 0.75 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1xnr h VAL 61 Cb 2.08 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 1xnr h VAL 61 CO -0.63 0.19 -0.30 0.15 0.02 0.00 0.00 177.57 177.01 1xnr h PHE 62 N -0.86 -0.91 -1.28 1.57 3.57 -0.36 0.35 116.94 119.02 1xnr h PHE 62 Ca -0.03 0.05 0.37 0.00 3.53 0.00 0.00 57.97 61.89 1xnr h PHE 62 Cb 0.51 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1xnr h PHE 62 CO 0.07 -0.25 1.24 0.87 -2.23 0.00 0.00 178.31 178.00 1xnr h LYS 63 N -0.20 0.00 0.00 1.11 1.79 -1.33 0.38 116.57 118.33 1xnr h LYS 63 Ca 0.04 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 1xnr h LYS 63 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1xnr h LYS 63 CO -0.33 0.00 -0.36 0.37 -1.08 0.00 0.00 179.45 178.06 1xnr h GLN 64 N 0.00 0.00 -0.64 3.15 5.75 -0.36 -2.86 115.11 120.15 1xnr h GLN 64 Ca 0.61 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 59.23 1xnr h GLN 64 Cb 3.07 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 31.50 1xnr h GLN 64 CO -0.01 0.74 -0.30 0.00 -2.65 0.00 0.00 178.83 176.62 1xnr h ALA 65 N -0.38 0.10 0.60 3.38 0.00 0.12 -1.31 119.26 121.77 1xnr h ALA 65 Ca -0.09 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xnr h ALA 65 Cb 0.86 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1xnr h ALA 65 CO -0.05 -0.61 -0.39 0.28 0.00 0.00 0.00 179.25 178.48 1xnr h VAL 66 N -0.11 0.00 -0.92 0.00 2.07 -1.45 -2.26 116.25 113.58 1xnr h VAL 66 Ca 0.27 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.05 1xnr h VAL 66 Cb 0.55 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1xnr h VAL 66 CO -0.71 0.00 1.15 -0.08 0.02 0.00 0.00 177.57 177.96 1xnr h GLU 67 N -0.93 0.00 0.00 1.57 4.57 -1.04 -2.17 114.58 116.58 1xnr h GLU 67 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1xnr h GLU 67 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1xnr h GLU 67 CO 0.07 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.99 1xnr n ASN 68 N -3.22 0.00 0.28 1.04 3.02 -0.61 -4.31 115.26 111.46 1xnr n ASN 68 Ca 0.21 0.28 0.03 0.00 -0.03 0.00 0.00 54.58 55.06 1xnr n ASN 68 Cb 1.43 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 40.28 1xnr n ASN 68 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xnr h VAL 69 N 0.00 0.00 -1.78 2.41 2.07 -1.04 -3.41 116.25 114.51 1xnr h VAL 69 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 1xnr h VAL 69 Cb 0.00 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1xnr h VAL 69 CO 0.00 0.00 1.53 0.29 0.02 0.00 0.00 177.57 179.41 1xnr n LYS 70 N -2.57 1.61 -2.28 1.57 5.02 -1.04 -4.67 118.16 115.80 1xnr n LYS 70 Ca 0.02 0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.25 1xnr n LYS 70 Cb 1.04 -3.21 -0.03 0.00 -0.02 0.00 0.00 35.03 32.81 1xnr n LYS 70 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xnr s PRO 71 N 6.92 4.36 0.16 1.97 0.04 -1.26 -4.94 135.00 142.24 1xnr s PRO 71 Ca 1.01 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.96 1xnr s PRO 71 Cb -0.35 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1xnr s PRO 71 CO 0.34 -0.39 1.38 0.00 0.04 0.00 0.00 177.00 178.37 1xnr h ARG 72 N 6.99 0.41 -3.31 4.56 2.47 -1.93 -3.44 114.38 120.13 1xnr h ARG 72 Ca -0.41 -0.37 -0.20 0.00 -1.26 0.00 0.00 59.98 57.73 1xnr h ARG 72 Cb 1.20 0.09 -0.28 0.00 -1.65 0.00 0.00 29.97 29.33 1xnr h ARG 72 CO 0.85 1.03 -0.55 -1.64 0.56 0.00 0.00 179.97 180.22 1xnr s MET 73 N -3.48 0.16 0.38 0.04 -1.94 -1.26 -2.62 119.30 110.59 1xnr s MET 73 Ca -0.06 0.27 0.06 0.00 -1.71 0.00 0.00 55.69 54.26 1xnr s MET 73 Cb 0.10 0.01 -0.07 0.00 2.01 0.00 0.00 34.83 36.87 1xnr s MET 73 CO 0.85 -0.07 0.03 -1.83 -0.01 0.00 0.00 175.02 173.99 1xnr s GLU 74 N 0.43 1.86 -0.32 2.03 -1.05 -1.16 -3.65 118.70 116.84 1xnr s GLU 74 Ca -0.03 -2.05 0.03 0.00 -0.15 0.00 0.00 54.97 52.78 1xnr s GLU 74 Cb -0.04 -1.37 0.09 0.00 -0.44 0.00 0.00 34.13 32.37 1xnr s GLU 74 CO -0.02 -0.10 0.02 0.54 0.95 0.00 0.00 175.26 176.65 1xnr s VAL 75 N -2.91 2.15 0.25 1.83 0.11 -1.26 -2.09 120.40 118.47 1xnr s VAL 75 Ca 0.35 -2.12 -0.26 0.00 -2.93 0.00 0.00 61.98 57.03 1xnr s VAL 75 Cb 0.09 -2.52 -0.09 0.00 -1.53 0.00 0.00 36.38 32.34 1xnr s VAL 75 CO 0.17 -0.48 0.86 -0.13 -3.33 0.00 0.00 175.10 172.19 1xnr s ARG 76 N 1.00 4.58 0.91 1.54 0.52 -0.41 -4.63 118.95 122.47 1xnr s ARG 76 Ca 0.07 1.24 -0.12 0.00 -0.52 0.00 0.00 55.73 56.40 1xnr s ARG 76 Cb -0.19 -3.04 0.14 0.00 0.52 0.00 0.00 34.95 32.38 1xnr s ARG 76 CO -0.08 0.43 1.11 0.45 0.02 0.00 0.00 175.30 177.22 1xnr s SER 77 N -1.41 3.43 -0.33 0.23 0.15 -1.26 -0.12 113.70 114.38 1xnr s SER 77 Ca 0.43 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 58.21 1xnr s SER 77 Cb -0.21 -1.80 0.19 0.00 -1.71 0.00 0.00 66.02 62.48 1xnr s SER 77 CO 0.26 -2.63 0.89 -0.60 1.20 0.00 0.00 173.24 172.36 1xnr s ARG 78 N -5.12 0.37 -0.20 5.44 3.52 -0.78 -4.75 118.95 117.43 1xnr s ARG 78 Ca 0.64 0.02 -0.36 0.00 -0.13 0.00 0.00 55.73 55.90 1xnr s ARG 78 Cb -0.16 0.08 -0.12 0.00 -1.56 0.00 0.00 34.95 33.18 1xnr s ARG 78 CO 0.55 -0.59 1.92 -2.13 -0.81 0.00 0.00 175.30 174.25 1xnr n ARG 79 N 4.44 1.69 -4.23 5.12 0.00 -1.26 -3.05 116.66 119.36 1xnr n ARG 79 Ca 0.08 0.59 -0.21 0.00 -0.00 0.00 0.00 57.85 58.31 1xnr n ARG 79 Cb 0.59 -2.49 -0.16 0.00 0.00 0.00 0.00 32.46 30.39 1xnr n ARG 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1xnr s VAL 80 N 4.78 0.63 -0.33 5.15 -7.23 -0.48 -4.86 120.40 118.06 1xnr s VAL 80 Ca 0.98 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 1xnr s VAL 80 Cb -0.81 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1xnr s VAL 80 CO 0.54 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 176.19 1xnr n GLY 81 N 4.00 0.30 0.00 2.32 0.00 -1.26 -1.43 105.19 109.11 1xnr n GLY 81 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1xnr n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 82 N 0.07 1.00 3.39 -0.02 0.00 -1.26 -5.12 105.19 103.25 1xnr n GLY 82 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1xnr n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr s ALA 83 N -2.00 -2.94 -0.20 4.61 0.00 -0.52 -5.13 121.76 115.58 1xnr s ALA 83 Ca 0.00 1.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1xnr s ALA 83 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1xnr s ALA 83 CO 0.00 -0.74 1.35 -0.80 0.00 0.00 0.00 175.76 175.58 1xnr s ASN 84 N 1.77 6.77 -0.18 0.00 0.01 -1.26 -1.38 114.94 120.67 1xnr s ASN 84 Ca -0.03 1.59 -0.00 0.00 -0.71 0.00 0.00 52.86 53.71 1xnr s ASN 84 Cb -0.02 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1xnr s ASN 84 CO -0.14 -0.93 -0.16 -0.31 -1.51 0.00 0.00 177.10 174.05 1xnr s TYR 85 N 4.00 2.81 -0.30 2.20 4.12 -1.17 -4.90 117.35 124.11 1xnr s TYR 85 Ca 0.59 -1.42 -0.29 0.00 0.02 0.00 0.00 57.07 55.97 1xnr s TYR 85 Cb -0.22 -1.95 -0.02 0.00 -1.52 0.00 0.00 41.96 38.26 1xnr s TYR 85 CO 0.20 -0.71 1.67 -0.65 0.02 0.00 0.00 175.55 176.08 1xnr s GLN 86 N 1.26 3.55 -0.19 -0.62 -1.52 -1.26 -1.87 119.66 119.01 1xnr s GLN 86 Ca 0.04 1.44 -0.08 0.00 -1.95 0.00 0.00 55.36 54.81 1xnr s GLN 86 Cb -0.14 -4.11 -0.04 0.00 -0.22 0.00 0.00 33.01 28.50 1xnr s GLN 86 CO -0.09 -1.60 0.07 0.08 -0.25 0.00 0.00 175.29 173.50 1xnr s VAL 87 N 6.02 4.76 0.06 1.09 1.01 0.82 -4.90 120.40 129.27 1xnr s VAL 87 Ca 0.74 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1xnr s VAL 87 Cb -0.22 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1xnr s VAL 87 CO 0.32 0.44 0.96 -2.16 0.00 0.00 0.00 175.10 174.67 1xnr s PRO 88 N 0.52 4.64 0.10 2.72 0.04 -1.26 -1.29 135.00 140.47 1xnr s PRO 88 Ca 0.03 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 1xnr s PRO 88 Cb -0.13 -3.41 0.05 0.00 0.04 0.00 0.00 34.50 31.06 1xnr s PRO 88 CO 0.01 0.11 0.52 0.00 0.04 0.00 0.00 177.00 177.67 1xnr s MET 89 N 0.41 1.13 0.73 4.56 0.23 -0.89 -4.82 119.30 120.65 1xnr s MET 89 Ca 0.49 -0.43 -0.16 0.00 -1.03 0.00 0.00 55.69 54.56 1xnr s MET 89 Cb -0.22 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 1xnr s MET 89 CO 0.29 -0.45 0.59 0.39 -2.03 0.00 0.00 175.02 173.81 1xnr n GLU 90 N -0.02 0.31 -4.01 3.16 1.02 -1.26 -2.97 120.64 116.87 1xnr n GLU 90 Ca -0.17 0.15 -0.34 0.00 -0.02 0.00 0.00 57.16 56.78 1xnr n GLU 90 Cb 0.63 -1.89 -0.15 0.00 -0.02 0.00 0.00 31.44 30.01 1xnr n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xnr s VAL 91 N -1.92 2.61 0.22 2.62 1.01 -1.08 -4.76 120.40 119.11 1xnr s VAL 91 Ca 0.66 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 1xnr s VAL 91 Cb -0.34 -2.30 -0.15 0.00 0.00 0.00 0.00 36.38 33.59 1xnr s VAL 91 CO 0.57 0.25 1.10 -1.54 0.00 0.00 0.00 175.10 175.48 1xnr n SER 92 N 4.63 1.32 0.25 3.32 3.41 -1.26 -4.57 113.62 120.72 1xnr n SER 92 Ca -0.17 1.16 0.10 0.00 -0.26 0.00 0.00 58.87 59.69 1xnr n SER 92 Cb 0.47 -1.25 0.52 0.00 -0.26 0.00 0.00 64.21 63.70 1xnr n SER 92 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xnr h PRO 93 N 2.84 0.00 0.00 4.33 0.13 -1.98 0.42 132.00 137.74 1xnr h PRO 93 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1xnr h PRO 93 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1xnr h PRO 93 CO 0.66 0.00 -0.07 -0.09 -0.23 0.00 0.00 178.00 178.28 1xnr h ARG 94 N 0.00 0.00 -0.25 0.86 9.65 -2.00 -3.14 114.38 119.50 1xnr h ARG 94 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1xnr h ARG 94 Cb 0.75 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1xnr h ARG 94 CO 0.00 0.53 -0.07 -0.09 2.80 0.00 0.00 179.97 183.14 1xnr h ARG 95 N -1.00 0.39 0.07 0.20 2.43 -1.36 -2.25 114.38 112.86 1xnr h ARG 95 Ca -0.01 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1xnr h ARG 95 Cb 0.56 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1xnr h ARG 95 CO -0.01 0.48 -0.35 0.37 -1.51 0.00 0.00 179.97 178.95 1xnr h GLN 96 N 0.37 -0.53 -0.88 0.20 4.15 -0.37 0.18 115.11 118.23 1xnr h GLN 96 Ca 0.08 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.56 1xnr h GLN 96 Cb 0.37 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 1xnr h GLN 96 CO 0.02 -0.35 0.57 0.37 -1.93 0.00 0.00 178.83 177.50 1xnr h GLN 97 N -0.55 1.08 0.00 1.69 4.15 -1.41 -1.81 115.11 118.27 1xnr h GLN 97 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1xnr h GLN 97 Cb 0.60 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1xnr h GLN 97 CO -0.24 0.72 -0.00 0.77 -1.93 0.00 0.00 178.83 178.15 1xnr h SER 98 N 1.11 -0.00 -0.83 -0.69 0.02 -0.82 -2.12 113.55 110.23 1xnr h SER 98 Ca 0.35 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 1xnr h SER 98 Cb -0.02 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1xnr h SER 98 CO -0.11 0.15 0.54 -0.07 -1.14 0.00 0.00 176.83 176.20 1xnr h LEU 99 N -0.16 0.78 0.71 5.07 3.38 -0.45 0.49 115.31 125.13 1xnr h LEU 99 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xnr h LEU 99 Cb 0.16 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xnr h LEU 99 CO 0.00 0.49 -0.34 0.00 0.09 0.00 0.00 178.44 178.68 1xnr h ALA 100 N 1.56 -1.15 -0.47 1.53 0.00 -1.02 0.23 119.26 119.93 1xnr h ALA 100 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xnr h ALA 100 Cb 0.28 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xnr h ALA 100 CO -0.13 -1.08 0.31 -0.07 0.00 0.00 0.00 179.25 178.28 1xnr h LEU 101 N -1.03 0.55 0.04 0.00 3.38 -1.24 0.33 115.31 117.33 1xnr h LEU 101 Ca -0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xnr h LEU 101 Cb 0.73 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xnr h LEU 101 CO 0.16 0.39 -0.02 -0.09 0.09 0.00 0.00 178.44 178.97 1xnr h ARG 102 N 0.64 -0.06 -0.24 1.13 2.43 -0.83 -2.73 114.38 114.72 1xnr h ARG 102 Ca 0.17 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1xnr h ARG 102 Cb -0.08 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1xnr h ARG 102 CO -0.04 0.20 0.10 -1.49 -1.51 0.00 0.00 179.97 177.23 1xnr h TRP 103 N -0.31 0.18 -0.15 2.20 6.55 -0.05 0.18 115.95 124.54 1xnr h TRP 103 Ca -0.01 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.87 1xnr h TRP 103 Cb 0.29 -0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 28.50 1xnr h TRP 103 CO 0.01 0.09 -0.33 -0.07 -1.05 0.00 0.00 178.44 177.10 1xnr h LEU 104 N 0.22 -1.06 -1.12 -4.49 3.38 -0.33 0.29 115.31 112.19 1xnr h LEU 104 Ca 0.10 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1xnr h LEU 104 Cb 0.06 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1xnr h LEU 104 CO -0.09 -0.27 0.60 0.58 0.09 0.00 0.00 178.44 179.35 1xnr h VAL 105 N -0.30 0.99 0.80 1.22 2.07 -1.37 0.14 116.25 119.80 1xnr h VAL 105 Ca 0.03 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1xnr h VAL 105 Cb 0.38 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1xnr h VAL 105 CO -0.30 0.18 -0.38 1.56 0.02 0.00 0.00 177.57 178.65 1xnr h GLN 106 N 0.98 -1.03 0.04 1.57 4.20 0.13 -1.20 115.11 119.80 1xnr h GLN 106 Ca 0.43 0.07 0.02 0.00 0.06 0.00 0.00 58.65 59.24 1xnr h GLN 106 Cb 0.36 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 1xnr h GLN 106 CO -0.19 -0.68 -0.48 0.00 -0.67 0.00 0.00 178.83 176.81 1xnr h ALA 107 N -1.01 -0.85 -0.38 3.87 0.00 -0.16 -2.67 119.26 118.07 1xnr h ALA 107 Ca -0.11 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xnr h ALA 107 Cb 0.83 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1xnr h ALA 107 CO 0.18 -1.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.08 1xnr h ALA 108 N -0.29 -0.39 0.00 0.00 0.00 -0.70 1.06 119.26 118.94 1xnr h ALA 108 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xnr h ALA 108 Cb 0.71 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1xnr h ALA 108 CO -0.32 -0.57 0.00 0.09 0.00 0.00 0.00 179.25 178.45 1xnr n ASN 109 N -4.11 0.00 -0.23 0.00 5.03 -0.46 0.32 115.26 115.82 1xnr n ASN 109 Ca -0.00 -0.09 0.06 0.00 0.87 0.00 0.00 54.58 55.42 1xnr n ASN 109 Cb 0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.90 1xnr n ASN 109 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xnr n GLN 110 N -0.57 2.16 -1.03 3.52 1.13 0.36 -5.00 117.38 117.95 1xnr n GLN 110 Ca 0.00 -0.55 -0.30 0.00 -1.94 0.00 0.00 57.00 54.21 1xnr n GLN 110 Cb 0.00 -1.13 0.23 0.00 0.11 0.00 0.00 30.24 29.45 1xnr n GLN 110 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xnr s ARG 111 N -1.65 -1.05 -0.12 -1.09 0.52 0.15 -5.02 118.95 110.69 1xnr s ARG 111 Ca 0.09 0.08 0.17 0.00 -0.52 0.00 0.00 55.73 55.55 1xnr s ARG 111 Cb 0.10 -1.60 -0.24 0.00 0.52 0.00 0.00 34.95 33.72 1xnr s ARG 111 CO 0.34 -3.63 0.31 -0.35 0.02 0.00 0.00 175.30 171.99 1xnr n PRO 112 N -4.73 0.67 -1.59 3.54 -0.04 -1.26 -4.97 135.00 126.61 1xnr n PRO 112 Ca 0.11 0.05 -0.51 0.00 -0.04 0.00 0.00 63.50 63.12 1xnr n PRO 112 Cb 0.59 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1xnr n PRO 112 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xnr n GLU 113 N -2.77 1.22 -0.31 0.54 0.00 -1.26 -4.87 120.64 113.20 1xnr n GLU 113 Ca -0.24 0.44 -0.02 0.00 0.00 0.00 0.00 57.16 57.34 1xnr n GLU 113 Cb 1.04 -2.05 0.14 0.00 0.00 0.00 0.00 31.44 30.57 1xnr n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xnr h ARG 114 N 4.27 1.19 -6.58 3.44 3.08 -2.03 -3.42 114.38 114.33 1xnr h ARG 114 Ca -0.46 -0.10 -0.56 0.00 0.07 0.00 0.00 59.98 58.92 1xnr h ARG 114 Cb 1.33 -0.25 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 1xnr h ARG 114 CO 0.76 0.83 0.94 1.03 -1.07 0.00 0.00 179.97 182.46 1xnr s ARG 115 N -5.90 3.78 0.11 0.04 0.52 -1.26 -4.94 118.95 111.29 1xnr s ARG 115 Ca -0.12 0.78 -0.23 0.00 -0.52 0.00 0.00 55.73 55.63 1xnr s ARG 115 Cb 0.17 -3.89 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 1xnr s ARG 115 CO 0.81 -1.30 1.40 0.00 0.02 0.00 0.00 175.30 176.23 1xnr h ALA 116 N 9.24 -0.52 -0.66 2.13 0.00 -2.01 0.10 119.26 127.55 1xnr h ALA 116 Ca -0.23 0.05 0.19 0.00 0.00 0.00 0.00 54.91 54.91 1xnr h ALA 116 Cb 1.07 1.16 -0.03 0.00 0.00 0.00 0.00 17.79 20.00 1xnr h ALA 116 CO 1.10 -0.77 0.78 0.00 0.00 0.00 0.00 179.25 180.35 1xnr h ALA 117 N -0.11 2.45 0.18 0.00 0.00 -1.92 -0.77 119.26 119.09 1xnr h ALA 117 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xnr h ALA 117 Cb 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xnr h ALA 117 CO -0.58 -1.12 -0.09 0.28 0.00 0.00 0.00 179.25 177.75 1xnr h VAL 118 N 0.00 0.49 -0.85 0.00 2.07 -1.16 -3.12 116.25 113.68 1xnr h VAL 118 Ca 0.31 -1.05 0.22 0.00 0.82 0.00 0.00 66.70 67.00 1xnr h VAL 118 Cb 1.87 0.85 -0.14 0.00 -1.52 0.00 0.00 31.29 32.35 1xnr h VAL 118 CO -0.00 0.14 0.13 0.03 0.02 0.00 0.00 177.57 177.89 1xnr h ARG 119 N -0.99 0.15 -0.67 1.57 3.08 -0.89 0.74 114.38 117.37 1xnr h ARG 119 Ca -0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xnr h ARG 119 Cb 0.42 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1xnr h ARG 119 CO 0.04 0.10 0.41 0.82 -1.07 0.00 0.00 179.97 180.27 1xnr h ILE 120 N 0.15 1.19 0.74 2.04 5.03 -1.63 0.52 117.51 125.56 1xnr h ILE 120 Ca 0.51 -0.40 -0.03 0.00 -0.12 0.00 0.00 64.86 64.82 1xnr h ILE 120 Cb 0.99 0.25 -0.00 0.00 -3.03 0.00 0.00 36.82 35.03 1xnr h ILE 120 CO -0.69 0.19 -0.47 0.00 -0.68 0.00 0.00 178.15 176.50 1xnr h ALA 121 N 1.22 -1.25 0.32 1.87 0.00 0.35 0.42 119.26 122.18 1xnr h ALA 121 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xnr h ALA 121 Cb -0.05 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xnr h ALA 121 CO -0.05 -1.21 -0.21 0.45 0.00 0.00 0.00 179.25 178.23 1xnr h HIS 122 N -1.14 -0.55 -0.99 0.00 3.86 -0.31 0.11 115.15 116.13 1xnr h HIS 122 Ca -0.10 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.25 1xnr h HIS 122 Cb 0.92 0.20 -0.09 0.00 1.06 0.00 0.00 27.41 29.50 1xnr h HIS 122 CO -0.10 -0.33 0.62 1.49 0.86 0.00 0.00 177.93 180.47 1xnr h GLU 123 N -0.52 0.86 -0.30 2.45 4.57 0.06 0.22 114.58 121.92 1xnr h GLU 123 Ca -0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1xnr h GLU 123 Cb 0.44 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1xnr h GLU 123 CO 0.02 0.57 0.13 1.25 -1.18 0.00 0.00 179.01 179.80 1xnr h LEU 124 N 0.88 0.41 0.98 1.64 6.46 0.44 -0.44 115.31 125.67 1xnr h LEU 124 Ca 0.51 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1xnr h LEU 124 Cb 0.64 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1xnr h LEU 124 CO -0.28 0.45 -0.47 0.24 -0.62 0.00 0.00 178.44 177.75 1xnr h MET 125 N 0.34 -1.27 -1.03 1.25 2.86 0.11 -2.10 114.93 115.09 1xnr h MET 125 Ca 0.10 0.09 0.30 0.00 -2.06 0.00 0.00 59.70 58.13 1xnr h MET 125 Cb 0.16 0.29 -0.13 0.00 0.06 0.00 0.00 31.60 31.98 1xnr h MET 125 CO -0.01 -0.85 0.61 -0.44 1.06 0.00 0.00 176.91 177.29 1xnr h ASP 126 N -1.33 0.54 -0.64 1.22 5.19 -0.67 1.29 116.42 122.02 1xnr h ASP 126 Ca -0.13 0.16 0.11 0.00 -0.62 0.00 0.00 57.03 56.54 1xnr h ASP 126 Cb 1.01 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 40.53 1xnr h ASP 126 CO 0.22 -0.04 0.22 0.00 -3.12 0.00 0.00 179.24 176.52 1xnr h ALA 127 N 1.77 0.82 0.24 3.45 0.00 -0.43 -1.05 119.26 124.07 1xnr h ALA 127 Ca 0.70 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.70 1xnr h ALA 127 Cb 1.59 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1xnr h ALA 127 CO -0.52 -0.22 -0.14 0.00 0.00 0.00 0.00 179.25 178.36 1xnr h ALA 128 N 1.46 -0.36 -0.53 0.00 0.00 0.22 -2.95 119.26 117.10 1xnr h ALA 128 Ca 0.33 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1xnr h ALA 128 Cb 0.45 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1xnr h ALA 128 CO -0.35 -0.71 0.35 0.93 0.00 0.00 0.00 179.25 179.47 1xnr h GLU 129 N -0.37 0.51 0.00 0.00 5.08 -0.84 -3.47 114.58 115.49 1xnr h GLU 129 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xnr h GLU 129 Cb 0.31 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xnr h GLU 129 CO 0.03 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 1xnr n GLY 130 N -1.49 1.52 3.66 -3.84 0.00 -0.47 -5.12 105.19 99.45 1xnr n GLY 130 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1xnr n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xnr n LYS 131 N -0.39 0.65 0.00 1.61 2.85 -1.04 -4.96 118.16 116.88 1xnr n LYS 131 Ca 0.00 -3.75 0.00 0.00 -1.05 0.00 0.00 58.31 53.51 1xnr n LYS 131 Cb 0.00 1.43 0.00 0.00 -0.65 0.00 0.00 35.03 35.81 1xnr n LYS 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xnr n GLY 132 N -1.15 2.14 0.19 2.58 0.00 -1.26 -3.70 105.19 103.99 1xnr n GLY 132 Ca -0.15 -1.60 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1xnr n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 133 N 1.99 -0.74 0.00 -0.02 0.00 -1.26 -1.30 105.19 103.85 1xnr n GLY 133 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1xnr n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ALA 134 N -3.33 -0.09 -0.48 4.61 0.00 -1.26 -2.20 120.51 117.76 1xnr n ALA 134 Ca 0.14 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.98 1xnr n ALA 134 Cb 0.45 0.06 0.68 0.00 0.00 0.00 0.00 19.45 20.63 1xnr n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xnr n VAL 135 N -0.94 -0.25 0.00 0.00 0.31 -0.42 -1.16 118.33 115.87 1xnr n VAL 135 Ca 0.00 1.79 0.00 0.00 -0.01 0.00 0.00 64.34 66.12 1xnr n VAL 135 Cb 0.00 -2.94 0.00 0.00 -0.91 0.00 0.00 33.84 29.99 1xnr n VAL 135 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1xnr n LYS 136 N -4.69 0.00 -0.22 5.55 4.81 -0.64 -0.49 118.16 122.48 1xnr n LYS 136 Ca 0.40 0.46 0.08 0.00 -0.87 0.00 0.00 58.31 58.38 1xnr n LYS 136 Cb 1.57 -1.35 0.16 0.00 0.02 0.00 0.00 35.03 35.44 1xnr n LYS 136 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xnr n LYS 137 N -1.73 -0.05 0.24 1.64 5.02 -0.31 0.14 118.16 123.12 1xnr n LYS 137 Ca 0.00 0.95 -0.16 0.00 -2.02 0.00 0.00 58.31 57.08 1xnr n LYS 137 Cb 0.00 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 1xnr n LYS 137 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1xnr h LYS 138 N 0.00 -0.56 -0.67 1.97 3.11 -1.19 -1.45 116.57 117.78 1xnr h LYS 138 Ca 0.36 0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.20 1xnr h LYS 138 Cb 0.70 0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.03 1xnr h LYS 138 CO -0.60 -0.34 0.29 0.93 -2.81 0.00 0.00 179.45 176.92 1xnr h GLU 139 N -0.64 0.98 -0.02 1.90 5.08 0.39 -0.68 114.58 121.59 1xnr h GLU 139 Ca -0.06 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1xnr h GLU 139 Cb 0.48 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xnr h GLU 139 CO 0.10 0.78 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.32 1xnr h ASP 140 N 0.96 0.02 0.16 1.42 5.19 -0.22 -1.11 116.42 122.85 1xnr h ASP 140 Ca 0.23 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1xnr h ASP 140 Cb 0.16 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1xnr h ASP 140 CO -0.02 0.15 -0.08 0.58 -3.12 0.00 0.00 179.24 176.75 1xnr h VAL 141 N 0.02 0.09 -1.01 -1.35 2.07 -0.22 -1.47 116.25 114.39 1xnr h VAL 141 Ca 0.00 -0.89 0.25 0.00 0.82 0.00 0.00 66.70 66.89 1xnr h VAL 141 Cb 0.24 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 1xnr h VAL 141 CO 0.02 0.03 0.66 -0.33 0.02 0.00 0.00 177.57 177.97 1xnr h GLU 142 N -1.05 0.33 -0.38 1.57 5.08 -1.13 0.67 114.58 119.68 1xnr h GLU 142 Ca -0.02 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1xnr h GLU 142 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xnr h GLU 142 CO 0.04 0.22 0.06 -0.09 -1.00 0.00 0.00 179.01 178.23 1xnr h ARG 143 N 0.34 0.63 0.30 2.33 1.12 -1.22 -3.00 114.38 114.88 1xnr h ARG 143 Ca 0.55 -0.17 -0.00 0.00 -1.11 0.00 0.00 59.98 59.24 1xnr h ARG 143 Cb 1.49 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 31.34 1xnr h ARG 143 CO -0.22 0.69 -0.52 1.98 -3.11 0.00 0.00 179.97 178.79 1xnr h MET 144 N 0.47 -0.84 -7.21 0.20 4.05 0.14 -3.36 114.93 108.38 1xnr h MET 144 Ca 0.11 0.06 -0.44 0.00 -0.28 0.00 0.00 59.70 59.15 1xnr h MET 144 Cb 0.37 0.19 0.20 0.00 -0.80 0.00 0.00 31.60 31.56 1xnr h MET 144 CO 0.01 -0.56 0.07 0.00 0.23 0.00 0.00 176.91 176.66 1xnr s ALA 145 N -5.79 -0.01 -1.07 0.39 0.00 -0.27 -3.31 121.76 111.71 1xnr s ALA 145 Ca -0.17 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1xnr s ALA 145 Cb 0.05 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1xnr s ALA 145 CO 0.60 -3.53 0.78 -1.91 0.00 0.00 0.00 175.76 171.70 1xnr n GLU 146 N -4.69 -1.29 0.00 0.00 0.00 -1.26 -4.57 120.64 108.84 1xnr n GLU 146 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 57.16 57.80 1xnr n GLU 146 Cb 0.55 -4.17 0.00 0.00 0.00 0.00 0.00 31.44 27.82 1xnr n GLU 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xnr n ALA 147 N -3.77 0.00 -1.37 4.31 0.00 -1.21 -4.78 120.51 113.70 1xnr n ALA 147 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1xnr n ALA 147 Cb 0.59 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.07 1xnr n ALA 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xnr n ASN 148 N 0.00 0.75 0.00 0.00 5.03 -1.25 -4.81 115.26 114.98 1xnr n ASN 148 Ca 0.00 -2.04 0.00 0.00 0.87 0.00 0.00 54.58 53.41 1xnr n ASN 148 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1xnr n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1xnr n ARG 149 N -0.38 0.00 -0.10 3.52 0.63 -1.26 -0.65 116.66 118.41 1xnr n ARG 149 Ca 0.04 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1xnr n ARG 149 Cb 0.60 -1.66 0.04 0.00 0.45 0.00 0.00 32.46 31.88 1xnr n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xnr n ALA 150 N -1.28 2.68 -1.55 5.13 0.00 -1.26 -2.40 120.51 121.82 1xnr n ALA 150 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xnr n ALA 150 Cb 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1xnr n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xnr n TYR 151 N 0.11 0.00 0.43 0.00 4.02 0.17 -4.80 117.16 117.09 1xnr n TYR 151 Ca 0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.98 1xnr n TYR 151 Cb 0.40 0.02 0.25 0.00 -0.02 0.00 0.00 39.34 39.98 1xnr n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xnr n ALA 152 N 0.00 1.56 0.10 -0.72 0.00 -1.01 -1.16 120.51 119.29 1xnr n ALA 152 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1xnr n ALA 152 Cb 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1xnr n ALA 152 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xnr h HIS 153 N 0.00 0.00 0.00 0.00 2.07 -1.87 -3.26 115.15 112.09 1xnr h HIS 153 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1xnr h HIS 153 Cb 0.15 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.13 1xnr h HIS 153 CO 0.00 0.26 -0.02 0.66 -3.07 0.00 0.00 177.93 175.76 1xnr n TYR 154 N -2.89 0.00 0.00 6.12 0.53 -0.31 -4.85 117.16 115.77 1xnr n TYR 154 Ca -0.02 -1.02 0.00 0.00 -1.02 0.00 0.00 57.90 55.84 1xnr n TYR 154 Cb 0.67 -0.55 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 1xnr n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1xnr n ARG 155 N 1.55 0.00 0.00 -0.72 5.12 -1.23 -5.00 116.66 116.37 1xnr n ARG 155 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1xnr n ARG 155 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1xnr n ARG 155 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57