#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mux h ILE 4 N 0.00 0.00 -0.11 -1.44 2.10 -1.95 -3.17 117.51 112.94 3mux h ILE 4 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3mux h ILE 4 Cb 0.00 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 36.53 3mux h ILE 4 CO 0.00 0.00 0.04 1.56 -1.08 0.00 0.00 178.15 178.67 3mux h GLN 5 N 0.00 0.14 -0.05 2.19 1.08 -1.98 0.59 115.11 117.08 3mux h GLN 5 Ca 0.00 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3mux h GLN 5 Cb 0.19 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3mux h GLN 5 CO 0.00 0.12 0.12 0.87 -0.95 0.00 0.00 178.83 178.99 3mux h LYS 6 N 0.14 0.00 -0.00 1.46 1.57 -1.97 -2.79 116.57 114.98 3mux h LYS 6 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mux h LYS 6 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3mux h LYS 6 CO -0.00 0.00 -0.53 0.54 -0.57 0.00 0.00 179.45 178.88 3mux n ARG 7 N -3.33 0.28 -3.19 3.15 5.12 0.20 -4.80 116.66 114.09 3mux n ARG 7 Ca -0.02 -0.19 -0.40 0.00 -1.93 0.00 0.00 57.85 55.32 3mux n ARG 7 Cb 0.20 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 29.93 3mux n ARG 7 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3mux s PHE 8 N -2.85 3.33 -0.03 -1.55 0.08 -1.06 -3.70 117.98 112.22 3mux s PHE 8 Ca 0.14 0.79 -0.30 0.00 0.12 0.00 0.00 56.93 57.68 3mux s PHE 8 Cb 0.18 -2.75 -0.07 0.00 -0.57 0.00 0.00 43.02 39.81 3mux s PHE 8 CO 0.68 -0.20 1.82 -0.47 -0.10 0.00 0.00 175.22 176.95 3mux s TYR 9 N 2.02 1.63 -1.04 0.36 5.04 0.90 -1.95 117.35 124.32 3mux s TYR 9 Ca 0.25 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.79 3mux s TYR 9 Cb -0.16 -4.07 0.01 0.00 0.35 0.00 0.00 41.96 38.09 3mux s TYR 9 CO 0.09 -4.63 0.04 1.63 -1.34 0.00 0.00 175.55 171.35 3mux n LYS 10 N 7.41 -2.37 -0.95 4.97 5.02 -1.26 -1.11 118.16 129.86 3mux n LYS 10 Ca 0.19 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3mux n LYS 10 Cb 0.42 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 3mux n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mux n GLY 11 N -0.83 0.68 0.21 0.72 0.00 -0.82 -4.87 105.19 100.28 3mux n GLY 11 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3mux n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mux n ARG 12 N -2.14 0.30 -3.80 1.61 5.12 -0.27 -4.69 116.66 112.79 3mux n ARG 12 Ca 0.00 0.09 -0.17 0.00 -1.93 0.00 0.00 57.85 55.84 3mux n ARG 12 Cb 0.03 -1.17 -0.16 0.00 -1.16 0.00 0.00 32.46 30.00 3mux n ARG 12 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mux s VAL 13 N -2.24 0.02 -0.05 1.55 1.01 -1.18 -1.01 120.40 118.49 3mux s VAL 13 Ca -0.17 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3mux s VAL 13 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3mux s VAL 13 CO 0.27 0.13 -0.23 0.00 0.00 0.00 0.00 175.10 175.27 3mux s ALA 14 N 1.29 2.26 0.50 5.51 0.00 -0.91 -0.07 121.76 130.34 3mux s ALA 14 Ca -0.06 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 3mux s ALA 14 Cb -0.13 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 22.21 3mux s ALA 14 CO -0.03 0.46 1.02 -0.51 0.00 0.00 0.00 175.76 176.71 3mux s LEU 15 N -0.34 3.76 -0.19 0.00 1.43 -0.71 -3.61 118.68 119.02 3mux s LEU 15 Ca 0.02 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 3mux s LEU 15 Cb -0.12 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.60 3mux s LEU 15 CO 0.02 -0.78 -0.07 0.21 0.23 0.00 0.00 176.35 175.96 3mux s ASN 16 N -2.32 3.24 0.17 2.29 3.84 -0.64 -1.11 114.94 120.42 3mux s ASN 16 Ca 0.65 -0.86 0.03 0.00 0.21 0.00 0.00 52.86 52.89 3mux s ASN 16 Cb -0.14 -1.07 -0.05 0.00 -0.55 0.00 0.00 41.25 39.44 3mux s ASN 16 CO 0.24 -0.19 -0.04 0.68 -2.79 0.00 0.00 177.10 175.00 3mux s VAL 17 N 1.51 0.95 0.29 -5.21 -7.23 -1.17 -1.14 120.40 108.41 3mux s VAL 17 Ca -0.01 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 3mux s VAL 17 Cb -0.16 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 3mux s VAL 17 CO -0.08 -0.58 0.56 -0.76 -0.31 0.00 0.00 175.10 173.94 3mux s LEU 18 N -3.19 4.05 -0.02 1.32 1.43 -1.26 -0.29 118.68 120.72 3mux s LEU 18 Ca 0.21 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 3mux s LEU 18 Cb 0.05 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3mux s LEU 18 CO 0.03 -0.21 -0.12 0.00 0.23 0.00 0.00 176.35 176.29 3mux s ALA 19 N -2.10 2.80 0.14 4.21 0.00 -0.97 -4.59 121.76 121.25 3mux s ALA 19 Ca 0.44 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.47 3mux s ALA 19 Cb -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.02 3mux s ALA 19 CO 0.30 0.58 1.41 -0.97 0.00 0.00 0.00 175.76 177.08 3mux h ASN 20 N 4.92 0.00 -5.61 0.00 -1.24 -1.90 -3.47 115.58 108.28 3mux h ASN 20 Ca -0.48 0.00 0.26 0.00 0.71 0.00 0.00 56.30 56.79 3mux h ASN 20 Cb 1.16 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 40.14 3mux h ASN 20 CO 0.51 0.82 0.72 0.54 -1.29 0.00 0.00 177.43 178.73 3mux s ASN 21 N -6.71 -0.04 0.25 1.15 2.20 -1.26 -5.01 114.94 105.51 3mux s ASN 21 Ca 0.01 -0.36 -0.05 0.00 -0.94 0.00 0.00 52.86 51.51 3mux s ASN 21 Cb 0.11 0.31 0.27 0.00 -2.00 0.00 0.00 41.25 39.94 3mux s ASN 21 CO 0.79 -0.60 1.88 0.40 -2.94 0.00 0.00 177.10 176.62 3mux h ILE 22 N 2.00 1.25 -0.68 0.54 2.04 -1.99 -0.42 117.51 120.25 3mux h ILE 22 Ca -0.27 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.00 3mux h ILE 22 Cb 1.21 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3mux h ILE 22 CO 0.31 0.28 0.44 -0.08 0.00 0.00 0.00 178.15 179.09 3mux h GLU 23 N 1.21 0.85 -0.54 2.37 4.57 -2.00 0.01 114.58 121.06 3mux h GLU 23 Ca 0.31 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 3mux h GLU 23 Cb 0.01 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3mux h GLU 23 CO -0.05 0.56 -0.02 -0.97 -1.18 0.00 0.00 179.01 177.35 3mux h ASN 24 N 0.87 0.95 -0.64 1.04 -1.24 -1.78 -1.93 115.58 112.86 3mux h ASN 24 Ca 0.26 -0.31 0.09 0.00 0.71 0.00 0.00 56.30 57.04 3mux h ASN 24 Cb -0.05 -0.26 -0.07 0.00 0.73 0.00 0.00 38.32 38.68 3mux h ASN 24 CO -0.08 1.04 0.29 0.00 -1.29 0.00 0.00 177.43 177.38 3mux h ALA 25 N 0.95 0.85 -0.60 1.57 0.00 -0.43 0.93 119.26 122.53 3mux h ALA 25 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3mux h ALA 25 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3mux h ALA 25 CO 0.03 -0.11 0.33 0.87 0.00 0.00 0.00 179.25 180.37 3mux h LYS 26 N 0.50 0.84 -0.45 0.00 1.57 -0.69 -0.33 116.57 118.02 3mux h LYS 26 Ca 0.31 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3mux h LYS 26 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3mux h LYS 26 CO -0.27 0.64 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.63 3mux h ASP 27 N 0.82 0.88 -0.34 0.86 3.32 -0.84 -1.84 116.42 119.28 3mux h ASP 27 Ca 0.21 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3mux h ASP 27 Cb 0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3mux h ASP 27 CO -0.03 1.04 0.14 0.40 -1.72 0.00 0.00 179.24 179.07 3mux h ILE 28 N 0.77 1.18 -0.80 0.35 2.04 -0.59 -0.20 117.51 120.26 3mux h ILE 28 Ca 0.11 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3mux h ILE 28 Cb 0.71 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3mux h ILE 28 CO 0.05 0.20 0.33 0.15 0.00 0.00 0.00 178.15 178.88 3mux h PHE 29 N 0.40 1.20 -0.25 1.37 3.57 -0.82 0.50 116.94 122.91 3mux h PHE 29 Ca 0.11 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3mux h PHE 29 Cb 0.18 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3mux h PHE 29 CO -0.01 0.90 0.03 0.93 -2.23 0.00 0.00 178.31 177.93 3mux h GLU 30 N 1.16 0.41 -0.54 1.11 3.07 -1.24 -0.79 114.58 117.77 3mux h GLU 30 Ca 0.27 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 3mux h GLU 30 Cb 0.19 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 3mux h GLU 30 CO -0.02 0.55 0.23 0.00 -1.40 0.00 0.00 179.01 178.37 3mux h ALA 31 N 0.84 1.39 -0.08 3.43 0.00 -0.42 -1.71 119.26 122.71 3mux h ALA 31 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mux h ALA 31 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3mux h ALA 31 CO 0.01 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3mux n ALA 32 N -2.46 2.57 -3.21 0.00 0.00 0.11 -4.43 120.51 113.08 3mux n ALA 32 Ca 0.04 -0.41 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 3mux n ALA 32 Cb 0.15 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.43 3mux n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mux n GLU 33 N -0.01 -4.25 -0.58 0.00 1.02 -0.64 -1.26 120.64 114.92 3mux n GLU 33 Ca 0.17 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 3mux n GLU 33 Cb 0.28 -5.49 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 3mux n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mux n GLY 34 N -1.37 1.65 2.48 0.62 0.00 -0.33 -4.93 105.19 103.31 3mux n GLY 34 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3mux n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mux n TYR 35 N -2.00 2.24 -3.56 1.61 4.01 -0.39 -4.53 117.16 114.54 3mux n TYR 35 Ca 0.00 -2.50 -0.17 0.00 -0.16 0.00 0.00 57.90 55.07 3mux n TYR 35 Cb 0.00 -1.66 -0.06 0.00 -0.31 0.00 0.00 39.34 37.31 3mux n TYR 35 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3mux s VAL 36 N -1.60 0.01 -0.08 -0.72 0.11 -1.24 -1.74 120.40 115.13 3mux s VAL 36 Ca 0.56 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 3mux s VAL 36 Cb 0.26 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3mux s VAL 36 CO -0.14 -0.03 -0.19 0.68 -3.33 0.00 0.00 175.10 172.09 3mux s VAL 37 N -1.08 2.60 -0.23 2.04 -7.23 -0.27 -4.92 120.40 111.31 3mux s VAL 37 Ca -0.10 -0.86 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 3mux s VAL 37 Cb -0.01 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3mux s VAL 37 CO 0.09 0.56 0.09 -0.69 -0.31 0.00 0.00 175.10 174.83 3mux s VAL 38 N -0.09 4.63 0.06 1.32 1.01 0.20 -3.02 120.40 124.51 3mux s VAL 38 Ca -0.04 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3mux s VAL 38 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3mux s VAL 38 CO 0.04 0.36 1.05 -0.83 0.00 0.00 0.00 175.10 175.73 3mux s GLY 39 N 1.22 2.78 -0.10 4.51 0.00 0.61 -0.49 107.32 115.86 3mux s GLY 39 Ca 0.05 0.67 0.02 0.00 0.00 0.00 0.00 44.72 45.45 3mux s GLY 39 CO 0.04 1.74 -0.14 0.14 0.00 0.00 0.00 173.10 174.88 3mux s VAL 40 N 0.68 1.35 -0.16 1.40 1.01 -0.41 -2.30 120.40 121.97 3mux s VAL 40 Ca 0.53 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 3mux s VAL 40 Cb -0.25 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3mux s VAL 40 CO 0.30 0.41 0.44 -0.76 0.00 0.00 0.00 175.10 175.49 3mux s LEU 41 N 0.97 4.21 0.39 3.92 1.43 -1.26 -1.03 118.68 127.32 3mux s LEU 41 Ca -0.08 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 3mux s LEU 41 Cb -0.15 -2.61 0.85 0.00 0.03 0.00 0.00 46.19 44.31 3mux s LEU 41 CO -0.01 -0.04 1.99 0.77 0.23 0.00 0.00 176.35 179.29 3mux h SER 42 N 7.04 0.54 0.57 2.29 4.64 -1.19 -2.26 113.55 125.17 3mux h SER 42 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3mux h SER 42 Cb 1.17 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3mux h SER 42 CO 0.74 0.35 0.00 2.29 -0.87 0.00 0.00 176.83 179.34 3mux n LYS 43 N -4.48 0.07 0.00 4.77 2.85 -1.26 -1.95 118.16 118.16 3mux n LYS 43 Ca 0.09 0.16 0.13 0.00 -1.05 0.00 0.00 58.31 57.64 3mux n LYS 43 Cb 0.23 -1.50 0.70 0.00 -0.65 0.00 0.00 35.03 33.81 3mux n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3mux n ASP 44 N -1.45 0.00 -4.11 -5.58 8.00 -0.85 -4.77 116.55 107.79 3mux n ASP 44 Ca 0.06 -0.34 -0.22 0.00 0.71 0.00 0.00 54.79 54.99 3mux n ASP 44 Cb 0.20 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 3mux n ASP 44 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3mux s TYR 45 N -2.37 1.23 -0.35 1.24 2.02 -0.82 -5.06 117.35 113.24 3mux s TYR 45 Ca 0.30 -0.25 0.26 0.00 -0.37 0.00 0.00 57.07 57.01 3mux s TYR 45 Cb 0.18 -0.79 0.62 0.00 -0.40 0.00 0.00 41.96 41.58 3mux s TYR 45 CO 0.36 -0.01 1.71 -1.00 -1.57 0.00 0.00 175.55 175.04 3mux h PRO 46 N 5.69 0.00 -4.48 -1.71 0.13 -1.86 -3.46 132.00 126.31 3mux h PRO 46 Ca -0.35 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.60 3mux h PRO 46 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 3mux h PRO 46 CO 0.48 0.00 -0.69 0.95 -0.23 0.00 0.00 178.00 178.51 3mux s THR 47 N -3.30 0.49 0.14 1.56 -4.23 -1.26 -5.05 115.64 103.99 3mux s THR 47 Ca 0.06 -1.85 -0.18 0.00 -1.18 0.00 0.00 61.69 58.54 3mux s THR 47 Cb 0.07 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.34 3mux s THR 47 CO 0.63 -0.91 1.71 0.58 -0.54 0.00 0.00 174.62 176.09 3mux h VAL 48 N 3.10 0.80 -0.98 2.29 2.07 -1.93 -1.67 116.25 119.93 3mux h VAL 48 Ca -0.35 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3mux h VAL 48 Cb 1.16 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3mux h VAL 48 CO 0.64 0.02 0.64 -0.33 0.02 0.00 0.00 177.57 178.56 3mux h GLU 49 N 0.09 1.21 -0.29 1.57 3.07 -1.99 -0.15 114.58 118.10 3mux h GLU 49 Ca 0.14 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 3mux h GLU 49 Cb 0.18 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3mux h GLU 49 CO -0.23 0.80 -0.40 0.93 -1.40 0.00 0.00 179.01 178.72 3mux h GLU 50 N 1.25 0.69 -0.45 2.33 5.08 -1.90 -1.18 114.58 120.38 3mux h GLU 50 Ca 0.39 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3mux h GLU 50 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3mux h GLU 50 CO -0.12 0.96 0.14 0.00 -1.00 0.00 0.00 179.01 178.99 3mux h ALA 51 N 0.99 0.59 -0.24 3.43 0.00 -0.75 -1.53 119.26 121.75 3mux h ALA 51 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mux h ALA 51 Cb 0.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3mux h ALA 51 CO 0.08 0.25 0.14 0.28 0.00 0.00 0.00 179.25 180.00 3mux h VAL 52 N 0.60 1.10 -0.52 0.00 2.07 -0.83 -2.69 116.25 115.97 3mux h VAL 52 Ca 0.15 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3mux h VAL 52 Cb 0.27 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3mux h VAL 52 CO -0.00 0.10 0.31 0.74 0.02 0.00 0.00 177.57 178.74 3mux h THR 53 N 0.30 1.05 0.00 2.57 2.02 -1.11 -0.28 112.91 117.45 3mux h THR 53 Ca 0.09 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3mux h THR 53 Cb 0.04 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3mux h THR 53 CO -0.02 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.99 3mux n ALA 54 N -2.28 1.24 0.00 6.16 0.00 -0.58 -2.74 120.51 122.31 3mux n ALA 54 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3mux n ALA 54 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3mux n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mux n LYS 56 N 0.39 0.00 -0.04 0.00 5.02 -0.12 -1.73 118.16 121.68 3mux n LYS 56 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3mux n LYS 56 Cb 0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.97 3mux n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mux h ALA 57 N 0.00 0.29 -0.39 7.82 0.00 -1.77 -1.32 119.26 123.89 3mux h ALA 57 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.42 3mux h ALA 57 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3mux h ALA 57 CO 0.00 0.56 0.09 1.88 0.00 0.00 0.00 179.25 181.78 3mux h TYR 58 N 0.41 0.15 -0.43 0.00 0.05 -1.64 -2.86 116.97 112.64 3mux h TYR 58 Ca -0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3mux h TYR 58 Cb 1.26 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.97 3mux h TYR 58 CO 0.09 0.03 0.21 0.78 -1.05 0.00 0.00 178.16 178.22 3mux h GLY 59 N 0.22 0.64 1.93 3.88 0.00 -1.76 -1.77 103.07 106.21 3mux h GLY 59 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3mux h GLY 59 CO -0.23 0.27 -0.18 1.70 0.00 0.00 0.00 176.54 178.10 3mux h LYS 60 N 0.60 0.09 0.00 4.80 3.64 -1.01 0.18 116.57 124.87 3mux h LYS 60 Ca 0.15 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 3mux h LYS 60 Cb 0.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3mux h LYS 60 CO -0.02 0.27 -0.92 0.93 -2.27 0.00 0.00 179.45 177.43 3mux h GLU 61 N 0.08 0.00 -0.75 1.90 5.08 -1.31 -3.38 114.58 116.21 3mux h GLU 61 Ca 0.02 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.91 3mux h GLU 61 Cb 0.36 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.19 3mux h GLU 61 CO 0.02 0.69 -0.90 0.44 -1.00 0.00 0.00 179.01 178.26 3mux n ILE 62 N -3.23 2.14 -3.21 3.13 -5.35 -1.04 -4.96 119.36 106.84 3mux n ILE 62 Ca -0.02 -3.91 -0.23 0.00 -0.27 0.00 0.00 62.75 58.32 3mux n ILE 62 Cb 0.86 -0.47 0.02 0.00 -1.74 0.00 0.00 39.64 38.32 3mux n ILE 62 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3mux n ASP 63 N -0.64 -5.28 -2.41 7.28 2.03 -1.01 -1.04 116.55 115.47 3mux n ASP 63 Ca 0.33 -0.36 -0.13 0.00 0.52 0.00 0.00 54.79 55.15 3mux n ASP 63 Cb 0.89 -4.28 -0.01 0.00 -0.72 0.00 0.00 41.12 37.01 3mux n ASP 63 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3mux n ASP 64 N -2.49 -4.03 -1.94 1.67 8.00 0.61 -4.86 116.55 113.50 3mux n ASP 64 Ca -0.07 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 3mux n ASP 64 Cb 0.59 -3.43 -0.11 0.00 -0.02 0.00 0.00 41.12 38.15 3mux n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mux n ALA 65 N -2.14 5.83 -2.64 2.24 0.00 -0.21 -2.63 120.51 120.96 3mux n ALA 65 Ca -0.15 -1.57 -0.38 0.00 0.00 0.00 0.00 53.44 51.34 3mux n ALA 65 Cb 0.61 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 3mux n ALA 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mux s VAL 66 N 0.30 5.16 -0.33 0.00 1.01 -1.26 -0.63 120.40 124.65 3mux s VAL 66 Ca 0.50 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 3mux s VAL 66 Cb 0.26 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3mux s VAL 66 CO -0.02 0.45 0.19 -0.55 0.00 0.00 0.00 175.10 175.16 3mux s SER 67 N -0.11 5.77 -0.15 3.32 0.15 0.36 -0.98 113.70 122.06 3mux s SER 67 Ca 0.22 -0.52 -0.29 0.00 0.70 0.00 0.00 55.95 56.06 3mux s SER 67 Cb -0.15 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 3mux s SER 67 CO 0.10 -0.23 1.14 -0.63 1.20 0.00 0.00 173.24 174.82 3mux s ILE 68 N 1.65 4.48 0.07 6.45 1.01 0.35 -1.29 121.20 133.92 3mux s ILE 68 Ca 0.05 1.78 0.04 0.00 0.00 0.00 0.00 60.65 62.52 3mux s ILE 68 Cb -0.17 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3mux s ILE 68 CO 0.08 -0.09 -0.00 -0.83 0.00 0.00 0.00 174.94 174.10 3mux s GLY 69 N 1.49 1.91 -0.03 6.18 0.00 -0.20 -1.31 107.32 115.36 3mux s GLY 69 Ca 0.51 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 43.93 3mux s GLY 69 CO 0.15 -1.02 1.05 1.41 0.00 0.00 0.00 173.10 174.68 3mux h LEU 70 N 3.67 0.36 0.00 0.66 3.38 -1.88 0.05 115.31 121.56 3mux h LEU 70 Ca -0.48 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 56.72 3mux h LEU 70 Cb 1.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3mux h LEU 70 CO 0.59 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.82 3mux n GLY 71 N 1.08 0.71 4.12 0.83 0.00 -1.26 -4.03 105.19 106.63 3mux n GLY 71 Ca -0.10 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 3mux n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mux n ALA 72 N 0.00 -1.43 -1.39 4.61 0.00 -1.26 -1.10 120.51 119.93 3mux n ALA 72 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 3mux n ALA 72 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 19.45 16.19 3mux n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mux n GLY 73 N -1.58 1.41 3.54 0.00 0.00 -1.26 -4.92 105.19 102.38 3mux n GLY 73 Ca -0.02 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 3mux n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mux n ASP 74 N -0.26 2.82 0.06 1.61 -0.08 -0.26 -4.81 116.55 115.63 3mux n ASP 74 Ca -0.13 0.27 0.11 0.00 -1.51 0.00 0.00 54.79 53.52 3mux n ASP 74 Cb 0.45 -1.45 0.45 0.00 2.34 0.00 0.00 41.12 42.91 3mux n ASP 74 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3mux n ASN 75 N 11.09 0.38 0.23 1.67 0.23 -1.26 -1.49 115.26 126.10 3mux n ASN 75 Ca 0.34 0.57 0.16 0.00 -0.53 0.00 0.00 54.58 55.12 3mux n ASN 75 Cb 0.37 -0.66 0.66 0.00 -2.08 0.00 0.00 39.78 38.07 3mux n ASN 75 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3mux h ARG 76 N 0.00 0.00 -0.01 -3.83 3.08 -1.96 -2.63 114.38 109.02 3mux h ARG 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mux h ARG 76 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3mux h ARG 76 CO 0.00 0.00 -0.09 1.04 -1.07 0.00 0.00 179.97 179.85 3mux n GLN 77 N -2.75 1.42 -0.20 0.04 1.13 -0.56 -4.30 117.38 112.17 3mux n GLN 77 Ca 0.01 -0.86 -0.06 0.00 -1.94 0.00 0.00 57.00 54.14 3mux n GLN 77 Cb 0.24 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.14 3mux n GLN 77 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mux h ALA 78 N 4.14 0.72 -0.50 -1.58 0.00 -1.60 -0.09 119.26 120.35 3mux h ALA 78 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3mux h ALA 78 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3mux h ALA 78 CO 0.00 0.16 0.03 0.00 0.00 0.00 0.00 179.25 179.44 3mux h ALA 79 N 1.20 1.11 -0.12 0.00 0.00 -1.80 -0.78 119.26 118.86 3mux h ALA 79 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mux h ALA 79 Cb -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3mux h ALA 79 CO -0.04 0.57 0.04 0.28 0.00 0.00 0.00 179.25 180.10 3mux h VAL 80 N 0.77 1.17 -0.75 0.00 2.07 -1.62 -2.03 116.25 115.87 3mux h VAL 80 Ca 0.15 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3mux h VAL 80 Cb 0.43 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3mux h VAL 80 CO 0.02 0.16 0.29 0.58 0.02 0.00 0.00 177.57 178.63 3mux h VAL 81 N 0.01 1.25 -0.94 2.57 2.07 -0.77 -0.11 116.25 120.32 3mux h VAL 81 Ca 0.04 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3mux h VAL 81 Cb 0.21 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3mux h VAL 81 CO -0.00 0.33 0.59 0.00 0.02 0.00 0.00 177.57 178.50 3mux h ALA 82 N 1.22 1.20 -0.39 1.67 0.00 -0.99 -2.14 119.26 119.84 3mux h ALA 82 Ca 0.25 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3mux h ALA 82 Cb 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mux h ALA 82 CO -0.02 0.64 -0.17 0.93 0.00 0.00 0.00 179.25 180.63 3mux h GLU 83 N 1.30 0.80 -0.99 0.00 4.39 -0.65 -3.07 114.58 116.36 3mux h GLU 83 Ca 0.34 -0.34 0.14 0.00 0.34 0.00 0.00 59.36 59.84 3mux h GLU 83 Cb -0.08 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.45 3mux h GLU 83 CO -0.07 0.97 0.62 0.82 -1.16 0.00 0.00 179.01 180.19 3mux h ILE 84 N 0.60 0.85 0.00 3.13 2.04 -0.70 -1.51 117.51 121.93 3mux h ILE 84 Ca 0.09 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3mux h ILE 84 Cb 0.72 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3mux h ILE 84 CO 0.05 0.16 -0.00 0.00 0.00 0.00 0.00 178.15 178.36 3mux h ALA 85 N 1.58 1.04 0.00 1.87 0.00 -1.29 0.59 119.26 123.05 3mux h ALA 85 Ca 0.51 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 3mux h ALA 85 Cb 0.64 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3mux h ALA 85 CO -0.28 0.00 -0.19 0.87 0.00 0.00 0.00 179.25 179.65 3mux h LYS 86 N 0.00 0.00 0.00 0.00 1.57 -1.34 -3.34 116.57 113.46 3mux h LYS 86 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3mux h LYS 86 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3mux h LYS 86 CO 0.00 0.19 -1.16 0.72 -0.57 0.00 0.00 179.45 178.63 3mux n HIS 87 N -3.91 0.00 -3.70 -1.35 8.25 0.05 -4.94 115.22 109.63 3mux n HIS 87 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3mux n HIS 87 Cb 0.28 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.18 3mux n HIS 87 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3mux s TYR 88 N -2.14 -0.59 -0.13 4.41 5.04 -0.33 -5.05 117.35 118.56 3mux s TYR 88 Ca -0.01 1.25 0.18 0.00 -2.44 0.00 0.00 57.07 56.05 3mux s TYR 88 Cb 0.01 0.24 -0.21 0.00 0.35 0.00 0.00 41.96 42.36 3mux s TYR 88 CO 0.12 -0.34 0.54 0.43 -1.34 0.00 0.00 175.55 174.95 3mux n SER 89 N 4.35 0.44 0.00 4.32 7.64 -1.26 -3.93 113.62 125.18 3mux n SER 89 Ca -0.22 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3mux n SER 89 Cb 0.55 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 3mux n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mux n GLY 90 N 1.47 0.94 0.00 0.23 0.00 -1.26 -4.15 105.19 102.43 3mux n GLY 90 Ca -0.15 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.27 3mux n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mux n SER 91 N -3.32 2.51 -3.72 1.61 7.64 -0.15 -4.87 113.62 113.31 3mux n SER 91 Ca 0.00 -0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 3mux n SER 91 Cb 0.00 1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 64.54 3mux n SER 91 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3mux s HIS 92 N -2.66 -0.48 -0.07 1.43 5.65 -0.94 -3.20 115.29 115.01 3mux s HIS 92 Ca -0.03 1.16 0.01 0.00 0.25 0.00 0.00 55.06 56.44 3mux s HIS 92 Cb 0.07 0.17 0.02 0.00 -1.18 0.00 0.00 32.58 31.66 3mux s HIS 92 CO 0.43 -0.24 -0.09 0.42 -0.65 0.00 0.00 174.74 174.61 3mux s ILE 93 N 0.35 0.94 -0.09 0.89 1.01 0.75 -0.50 121.20 124.55 3mux s ILE 93 Ca -0.01 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 3mux s ILE 93 Cb -0.04 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3mux s ILE 93 CO -0.01 0.33 0.68 0.20 0.00 0.00 0.00 174.94 176.13 3mux s ASN 94 N 1.09 6.92 0.02 3.58 0.01 -0.43 -1.15 114.94 124.98 3mux s ASN 94 Ca -0.07 1.11 -0.10 0.00 -0.71 0.00 0.00 52.86 53.09 3mux s ASN 94 Cb -0.14 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.13 3mux s ASN 94 CO -0.01 -0.14 0.20 -1.58 -1.51 0.00 0.00 177.10 174.06 3mux s GLN 95 N 1.00 0.64 0.51 -0.60 2.00 -1.20 -4.50 119.66 117.50 3mux s GLN 95 Ca 0.35 -0.50 -0.17 0.00 -2.00 0.00 0.00 55.36 53.04 3mux s GLN 95 Cb -0.17 0.27 -0.08 0.00 0.80 0.00 0.00 33.01 33.83 3mux s GLN 95 CO 0.16 -0.18 0.99 0.14 -0.50 0.00 0.00 175.29 175.90 3mux s VAL 96 N -2.07 4.41 0.19 1.34 -7.23 -1.26 -0.77 120.40 115.01 3mux s VAL 96 Ca -0.09 1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 61.10 3mux s VAL 96 Cb -0.03 -3.66 0.13 0.00 0.56 0.00 0.00 36.38 33.38 3mux s VAL 96 CO -0.01 -0.59 1.58 0.15 -0.31 0.00 0.00 175.10 175.92 3mux h PHE 97 N 1.07 -0.95 0.00 2.82 3.57 -1.83 -1.26 116.94 120.36 3mux h PHE 97 Ca -0.47 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3mux h PHE 97 Cb 1.19 0.50 0.00 0.00 2.79 0.00 0.00 35.95 40.43 3mux h PHE 97 CO 0.63 -0.38 0.00 -0.35 -2.23 0.00 0.00 178.31 175.97 3mux n PRO 98 N -5.44 0.57 -0.06 6.41 -0.04 -1.26 -2.54 135.00 132.65 3mux n PRO 98 Ca 0.04 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 3mux n PRO 98 Cb 0.36 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.43 3mux n PRO 98 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3mux n SER 99 N -1.13 2.64 -0.13 3.54 7.64 -0.49 -4.58 113.62 121.12 3mux n SER 99 Ca 0.15 -1.77 -0.08 0.00 1.01 0.00 0.00 58.87 58.18 3mux n SER 99 Cb 0.13 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3mux n SER 99 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3mux h VAL 100 N 3.27 1.12 -0.48 0.44 2.07 -1.38 -2.16 116.25 119.13 3mux h VAL 100 Ca 0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3mux h VAL 100 Cb 0.74 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3mux h VAL 100 CO 0.00 0.12 0.19 1.23 0.02 0.00 0.00 177.57 179.13 3mux h GLY 101 N 0.53 0.77 1.02 2.17 0.00 -1.82 -0.38 103.07 105.36 3mux h GLY 101 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3mux h GLY 101 CO -0.03 0.39 0.54 0.00 0.00 0.00 0.00 176.54 177.45 3mux h ALA 102 N 1.04 1.17 -0.13 3.60 0.00 -1.83 -0.97 119.26 122.15 3mux h ALA 102 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3mux h ALA 102 Cb 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mux h ALA 102 CO -0.01 0.64 -0.09 1.15 0.00 0.00 0.00 179.25 180.94 3mux h THR 103 N 1.27 1.33 -0.51 0.00 2.02 -0.93 -0.29 112.91 115.80 3mux h THR 103 Ca 0.33 -1.17 0.03 0.00 0.77 0.00 0.00 66.41 66.36 3mux h THR 103 Cb -0.03 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3mux h THR 103 CO -0.06 0.34 0.29 -0.09 0.37 0.00 0.00 175.52 176.37 3mux h ARG 104 N -0.08 0.56 -0.60 6.66 9.65 -0.99 -2.11 114.38 127.48 3mux h ARG 104 Ca 0.03 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3mux h ARG 104 Cb 0.58 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 3mux h ARG 104 CO 0.02 0.37 0.39 0.00 2.80 0.00 0.00 179.97 183.55 3mux h ALA 105 N 1.24 0.76 0.00 2.80 0.00 -1.02 -2.66 119.26 120.39 3mux h ALA 105 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mux h ALA 105 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3mux h ALA 105 CO -0.11 0.16 -0.09 -0.91 0.00 0.00 0.00 179.25 178.30 3mux h ASN 106 N 0.78 0.00 -0.03 0.00 -0.26 -0.64 -0.92 115.58 114.51 3mux h ASN 106 Ca 0.22 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.97 3mux h ASN 106 Cb -0.06 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 3mux h ASN 106 CO -0.06 0.09 0.06 -0.07 -1.06 0.00 0.00 177.43 176.38 3mux h LEU 107 N 0.00 0.00 -0.36 1.61 3.38 -1.01 -3.29 115.31 115.63 3mux h LEU 107 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3mux h LEU 107 Cb 0.23 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.07 3mux h LEU 107 CO 0.01 0.00 -0.67 0.61 0.09 0.00 0.00 178.44 178.48 3mux n GLY 108 N -1.23 -0.54 2.10 0.83 0.00 -0.35 -1.27 105.19 104.73 3mux n GLY 108 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3mux n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mux n GLY 109 N -1.83 1.88 3.77 -0.02 0.00 -1.26 -5.04 105.19 102.70 3mux n GLY 109 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3mux n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mux s LYS 110 N -0.30 4.05 -0.08 1.61 1.02 -0.40 -4.95 119.74 120.68 3mux s LYS 110 Ca 0.00 2.23 -0.30 0.00 0.02 0.00 0.00 55.97 57.93 3mux s LYS 110 Cb 0.00 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3mux s LYS 110 CO 0.00 -0.45 1.26 0.34 -0.92 0.00 0.00 175.35 175.58 3mux s ASP 111 N -0.60 6.98 0.25 2.83 2.15 -1.26 -4.91 116.67 122.11 3mux s ASP 111 Ca 0.55 1.83 -0.21 0.00 0.43 0.00 0.00 52.55 55.14 3mux s ASP 111 Cb -0.40 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 39.70 3mux s ASP 111 CO 0.52 -0.67 0.68 -0.55 -0.17 0.00 0.00 175.17 174.98 3mux s SER 112 N 1.75 -0.33 -0.18 -0.34 0.15 -1.26 -4.92 113.70 108.57 3mux s SER 112 Ca 0.57 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.71 3mux s SER 112 Cb -0.25 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 3mux s SER 112 CO 0.20 -1.25 -0.03 0.86 1.20 0.00 0.00 173.24 174.22 3mux s TRP 113 N -3.88 3.00 -0.13 3.44 -0.11 -1.19 -5.03 118.94 115.04 3mux s TRP 113 Ca 0.09 -0.49 0.02 0.00 1.22 0.00 0.00 56.10 56.94 3mux s TRP 113 Cb -0.05 -2.02 0.00 0.00 -1.50 0.00 0.00 33.47 29.90 3mux s TRP 113 CO 0.02 -0.22 -0.21 0.42 -4.62 0.00 0.00 176.95 172.34 3mux s ILE 114 N 0.81 2.20 0.52 5.86 1.01 -1.26 -0.18 121.20 130.15 3mux s ILE 114 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3mux s ILE 114 Cb -0.14 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.47 3mux s ILE 114 CO 0.02 0.55 0.75 0.54 0.00 0.00 0.00 174.94 176.79 3mux s ASN 115 N 0.68 5.48 -0.17 3.58 2.20 -0.30 -0.33 114.94 126.09 3mux s ASN 115 Ca -0.10 0.14 -0.01 0.00 -0.94 0.00 0.00 52.86 51.96 3mux s ASN 115 Cb -0.16 -1.16 0.04 0.00 -2.00 0.00 0.00 41.25 37.97 3mux s ASN 115 CO 0.01 -0.99 -0.05 -0.55 -2.94 0.00 0.00 177.10 172.59 3mux s SER 116 N -4.34 2.84 -0.13 3.54 0.15 -0.71 -3.26 113.70 111.78 3mux s SER 116 Ca 0.54 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 3mux s SER 116 Cb -0.10 -0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 3mux s SER 116 CO 0.39 -0.19 1.48 -0.22 1.20 0.00 0.00 173.24 175.90 3mux s LEU 117 N 1.63 4.19 0.09 3.45 0.20 0.05 -0.90 118.68 127.39 3mux s LEU 117 Ca 0.01 1.89 0.04 0.00 0.69 0.00 0.00 54.13 56.75 3mux s LEU 117 Cb -0.15 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 3mux s LEU 117 CO -0.08 -0.91 -0.10 0.68 -0.29 0.00 0.00 176.35 175.65 3mux s VAL 118 N 4.01 0.91 0.13 1.68 -7.23 -0.51 -3.38 120.40 116.01 3mux s VAL 118 Ca 0.65 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3mux s VAL 118 Cb -0.27 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3mux s VAL 118 CO 0.23 -0.55 -0.19 -0.44 -0.31 0.00 0.00 175.10 173.84 3mux s SER 119 N -2.40 2.51 0.78 4.85 0.01 -0.47 -2.16 113.70 116.81 3mux s SER 119 Ca 0.05 -0.78 -0.14 0.00 1.31 0.00 0.00 55.95 56.39 3mux s SER 119 Cb -0.03 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.13 3mux s SER 119 CO -0.00 -0.01 1.21 -2.65 0.41 0.00 0.00 173.24 172.20 3mux n PRO 120 N 0.66 0.36 0.00 12.44 -0.02 -1.26 -1.09 135.00 146.09 3mux n PRO 120 Ca -0.16 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3mux n PRO 120 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3mux n PRO 120 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3mux n THR 121 N -3.03 0.00 -0.98 3.45 -2.24 -1.26 -4.67 114.28 105.55 3mux n THR 121 Ca 0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3mux n THR 121 Cb 0.50 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3mux n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mux n GLY 122 N 0.52 0.59 2.96 3.38 0.00 -1.26 -5.00 105.19 106.38 3mux n GLY 122 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3mux n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mux s LYS 123 N -0.21 1.50 0.14 1.61 2.20 -1.26 -5.09 119.74 118.63 3mux s LYS 123 Ca 0.00 -1.46 -0.33 0.00 -0.36 0.00 0.00 55.97 53.81 3mux s LYS 123 Cb 0.00 -2.82 -0.13 0.00 -1.51 0.00 0.00 37.83 33.38 3mux s LYS 123 CO 0.00 -0.81 1.67 0.28 -0.36 0.00 0.00 175.35 176.13 3mux n VAL 124 N 4.47 0.11 -0.01 4.02 0.31 -1.26 -1.74 118.33 124.22 3mux n VAL 124 Ca -0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3mux n VAL 124 Cb 0.42 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3mux n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mux n GLY 125 N 3.74 0.31 3.13 2.92 0.00 -1.26 -5.07 105.19 108.96 3mux n GLY 125 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3mux n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mux s TYR 126 N -2.04 1.24 0.13 1.61 2.02 -0.71 -1.56 117.35 118.03 3mux s TYR 126 Ca 0.00 -0.31 0.08 0.00 -0.37 0.00 0.00 57.07 56.47 3mux s TYR 126 Cb 0.00 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3mux s TYR 126 CO 0.00 0.02 -0.20 0.14 -1.57 0.00 0.00 175.55 173.94 3mux s VAL 127 N -0.65 1.73 -0.33 0.71 -7.23 0.10 -4.34 120.40 110.39 3mux s VAL 127 Ca 0.03 -1.68 -0.21 0.00 -1.81 0.00 0.00 61.98 58.31 3mux s VAL 127 Cb -0.07 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.22 3mux s VAL 127 CO 0.01 -0.17 0.64 0.21 -0.31 0.00 0.00 175.10 175.48 3mux s ASN 128 N -2.21 6.48 0.00 4.85 2.47 -0.25 -1.17 114.94 125.10 3mux s ASN 128 Ca 0.10 0.32 0.24 0.00 0.42 0.00 0.00 52.86 53.94 3mux s ASN 128 Cb -0.08 -2.33 0.26 0.00 -1.45 0.00 0.00 41.25 37.65 3mux s ASN 128 CO 0.05 -0.54 1.30 2.30 -3.72 0.00 0.00 177.10 176.49 3mux n ILE 129 N 5.49 0.05 -1.93 -5.21 -5.35 -0.63 -1.37 119.36 110.41 3mux n ILE 129 Ca -0.01 -0.51 -0.41 0.00 -0.27 0.00 0.00 62.75 61.55 3mux n ILE 129 Cb 0.49 1.39 -0.00 0.00 -1.74 0.00 0.00 39.64 39.77 3mux n ILE 129 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3mux n SER 130 N 1.29 6.01 -0.39 7.28 7.64 -1.26 -4.59 113.62 129.61 3mux n SER 130 Ca 0.15 -2.95 0.04 0.00 1.01 0.00 0.00 58.87 57.11 3mux n SER 130 Cb 0.59 -1.52 0.08 0.00 -1.01 0.00 0.00 64.21 62.35 3mux n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mux n THR 131 N 3.50 0.64 -2.22 0.44 -2.24 -1.26 -2.48 114.28 110.66 3mux n THR 131 Ca 0.54 -0.82 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 3mux n THR 131 Cb 0.32 0.74 0.14 0.00 -2.10 0.00 0.00 70.33 69.43 3mux n THR 131 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mux s GLY 132 N -0.87 1.76 0.10 3.38 0.00 -1.26 -4.72 107.32 105.71 3mux s GLY 132 Ca 0.13 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.27 3mux s GLY 132 CO 0.10 -0.73 1.67 -0.56 0.00 0.00 0.00 173.10 173.58 3mux h PRO 133 N -1.11 0.30 0.07 2.90 0.13 -1.94 0.14 132.00 132.49 3mux h PRO 133 Ca -0.41 -0.05 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 3mux h PRO 133 Cb 1.25 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.36 3mux h PRO 133 CO 0.41 0.33 -1.05 0.82 -0.23 0.00 0.00 178.00 178.28 3mux h ILE 134 N 0.20 1.32 -0.64 -3.56 2.04 -1.96 -2.80 117.51 112.12 3mux h ILE 134 Ca 0.07 -2.34 -0.08 0.00 1.00 0.00 0.00 64.86 63.51 3mux h ILE 134 Cb 0.13 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 3mux h ILE 134 CO -0.01 0.71 0.09 0.77 0.00 0.00 0.00 178.15 179.70 3mux h SER 135 N 0.19 1.03 1.04 1.72 4.64 -1.84 -2.44 113.55 117.88 3mux h SER 135 Ca -0.15 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3mux h SER 135 Cb 1.73 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3mux h SER 135 CO 0.20 1.03 0.00 0.00 -0.87 0.00 0.00 176.83 177.19 3mux h ALA 136 N 1.09 1.00 0.00 5.18 0.00 -0.40 -2.42 119.26 123.71 3mux h ALA 136 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mux h ALA 136 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3mux h ALA 136 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 3mux n ALA 137 N -1.82 2.60 -1.66 0.00 0.00 -0.93 -4.91 120.51 113.79 3mux n ALA 137 Ca 0.03 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 3mux n ALA 137 Cb 0.31 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.43 3mux n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mux s GLY 138 N -3.20 2.62 0.46 0.00 0.00 -0.91 -4.93 107.32 101.35 3mux s GLY 138 Ca 0.12 0.94 0.28 0.00 0.00 0.00 0.00 44.72 46.06 3mux s GLY 138 CO 0.60 1.33 1.81 0.83 0.00 0.00 0.00 173.10 177.66 3mux h GLU 139 N 0.62 0.00 -5.80 2.90 5.08 -1.90 -3.43 114.58 112.04 3mux h GLU 139 Ca -0.50 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.37 3mux h GLU 139 Cb 1.29 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.37 3mux h GLU 139 CO 0.54 0.00 -0.77 -1.21 -1.00 0.00 0.00 179.01 176.57 3mux s GLU 140 N -3.42 1.26 0.19 2.33 0.41 -1.26 -5.16 118.70 113.05 3mux s GLU 140 Ca 0.04 -1.43 0.10 0.00 -0.41 0.00 0.00 54.97 53.28 3mux s GLU 140 Cb 0.08 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 31.14 3mux s GLU 140 CO 0.58 0.24 -0.13 0.15 -0.49 0.00 0.00 175.26 175.61 3mux s LYS 141 N -2.95 1.91 -0.51 1.61 -0.14 -1.26 -5.01 119.74 113.39 3mux s LYS 141 Ca 0.16 -1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 53.11 3mux s LYS 141 Cb -0.05 -2.05 0.03 0.00 -1.68 0.00 0.00 37.83 34.08 3mux s LYS 141 CO 0.06 0.42 1.21 0.00 -0.76 0.00 0.00 175.35 176.28 3mux s ALA 142 N -1.78 3.06 -0.26 5.17 0.00 -1.26 -4.99 121.76 121.69 3mux s ALA 142 Ca 0.24 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 3mux s ALA 142 Cb -0.08 -3.97 0.02 0.00 0.00 0.00 0.00 23.12 19.09 3mux s ALA 142 CO 0.14 -2.48 -0.02 0.42 0.00 0.00 0.00 175.76 173.82 3mux s ILE 143 N 4.87 3.16 0.14 0.00 1.01 -1.26 -1.60 121.20 127.52 3mux s ILE 143 Ca 0.48 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3mux s ILE 143 Cb -0.08 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3mux s ILE 143 CO 0.29 0.16 -0.12 0.68 0.00 0.00 0.00 174.94 175.95 3mux s VAL 144 N 1.37 1.28 0.49 2.92 -7.23 -0.32 -4.90 120.40 114.01 3mux s VAL 144 Ca 0.01 -1.87 -0.24 0.00 -1.81 0.00 0.00 61.98 58.07 3mux s VAL 144 Cb -0.17 -1.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 3mux s VAL 144 CO -0.03 -0.55 1.38 -2.65 -0.31 0.00 0.00 175.10 172.94 3mux n PRO 145 N 0.21 1.96 -0.21 4.82 -0.02 -1.26 -0.72 135.00 139.78 3mux n PRO 145 Ca -0.13 0.71 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3mux n PRO 145 Cb 0.59 -2.58 0.11 0.00 -0.02 0.00 0.00 33.50 31.59 3mux n PRO 145 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3mux h ILE 146 N 1.86 0.51 0.00 4.25 2.04 -1.63 -0.93 117.51 123.61 3mux h ILE 146 Ca -0.51 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3mux h ILE 146 Cb 1.29 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3mux h ILE 146 CO 0.59 0.02 -0.24 0.11 0.00 0.00 0.00 178.15 178.64 3mux h LYS 147 N 0.14 0.00 -0.22 2.37 1.57 -1.90 -1.34 116.57 117.19 3mux h LYS 147 Ca 0.33 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.97 3mux h LYS 147 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3mux h LYS 147 CO -0.51 0.24 -0.42 1.79 -0.57 0.00 0.00 179.45 179.97 3mux h THR 148 N 0.00 1.31 -0.43 -0.16 1.35 -1.54 -1.43 112.91 112.00 3mux h THR 148 Ca -0.00 -1.60 -0.08 0.00 -0.55 0.00 0.00 66.41 64.18 3mux h THR 148 Cb 0.47 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 3mux h THR 148 CO 0.03 0.50 -0.03 0.00 -0.25 0.00 0.00 175.52 175.77 3mux h ALA 149 N 1.11 0.59 -0.46 6.62 0.00 -0.80 -2.39 119.26 123.94 3mux h ALA 149 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3mux h ALA 149 Cb 0.92 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3mux h ALA 149 CO 0.08 0.41 0.23 0.82 0.00 0.00 0.00 179.25 180.79 3mux h ILE 150 N 0.62 0.97 -0.71 0.00 2.04 -1.07 -0.34 117.51 119.03 3mux h ILE 150 Ca 0.12 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3mux h ILE 150 Cb 0.53 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3mux h ILE 150 CO 0.03 0.08 0.33 0.00 0.00 0.00 0.00 178.15 178.59 3mux h ALA 151 N 1.24 0.91 -0.58 1.87 0.00 -1.16 0.16 119.26 121.70 3mux h ALA 151 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mux h ALA 151 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3mux h ALA 151 CO -0.14 0.49 0.31 -0.07 0.00 0.00 0.00 179.25 179.84 3mux h LEU 152 N 0.99 0.74 -0.83 0.00 3.38 -1.00 -1.21 115.31 117.39 3mux h LEU 152 Ca 0.24 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3mux h LEU 152 Cb 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3mux h LEU 152 CO -0.03 0.63 0.41 0.58 0.09 0.00 0.00 178.44 180.13 3mux h VAL 153 N 0.79 1.25 -0.62 1.22 2.07 -0.60 -2.22 116.25 118.15 3mux h VAL 153 Ca 0.20 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3mux h VAL 153 Cb 0.07 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 3mux h VAL 153 CO -0.03 0.30 0.32 0.03 0.02 0.00 0.00 177.57 178.21 3mux h ARG 154 N 1.16 0.87 -1.93 1.57 3.08 -0.74 -0.21 114.38 118.18 3mux h ARG 154 Ca 0.29 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3mux h ARG 154 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3mux h ARG 154 CO -0.04 0.68 0.00 -0.25 -1.07 0.00 0.00 179.97 179.29 3mux n ASP 155 N -4.54 0.36 -0.44 7.04 8.00 -0.48 -4.43 116.55 122.07 3mux n ASP 155 Ca 0.04 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.08 3mux n ASP 155 Cb 0.10 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3mux n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mux n GLY 157 N 1.24 0.61 3.90 0.44 0.00 -0.53 -5.04 105.19 105.82 3mux n GLY 157 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3mux n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mux s GLY 158 N -0.37 1.52 -0.01 -0.02 0.00 -0.20 -4.78 107.32 103.46 3mux s GLY 158 Ca 0.00 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.37 3mux s GLY 158 CO 0.00 -0.27 0.36 0.70 0.00 0.00 0.00 173.10 173.89 3mux n ASN 159 N -2.33 1.23 -3.61 1.64 3.02 0.56 -4.45 115.26 111.32 3mux n ASN 159 Ca 0.01 -0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 3mux n ASN 159 Cb 0.55 1.17 -0.02 0.00 -0.61 0.00 0.00 39.78 40.87 3mux n ASN 159 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3mux s SER 160 N -2.40 -0.41 -0.18 6.41 1.04 -1.23 -3.68 113.70 113.25 3mux s SER 160 Ca 0.01 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.05 3mux s SER 160 Cb 0.07 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3mux s SER 160 CO 0.42 -1.06 0.34 -0.76 0.98 0.00 0.00 173.24 173.16 3mux s LEU 161 N -2.80 4.21 -0.41 2.42 1.43 -0.82 -1.74 118.68 120.97 3mux s LEU 161 Ca 0.06 0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 3mux s LEU 161 Cb -0.03 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.77 3mux s LEU 161 CO -0.05 0.02 0.46 -0.75 0.23 0.00 0.00 176.35 176.27 3mux s LYS 162 N 0.83 3.23 -0.45 1.70 2.20 -0.08 -0.29 119.74 126.88 3mux s LYS 162 Ca 0.18 -0.61 -0.17 0.00 -0.36 0.00 0.00 55.97 55.01 3mux s LYS 162 Cb -0.14 -3.93 0.04 0.00 -1.51 0.00 0.00 37.83 32.29 3mux s LYS 162 CO 0.06 -0.81 0.47 -0.47 -0.36 0.00 0.00 175.35 174.24 3mux s TYR 163 N 2.23 3.16 -0.17 4.03 5.04 -0.61 -1.42 117.35 129.61 3mux s TYR 163 Ca 0.14 -0.52 -0.21 0.00 -2.44 0.00 0.00 57.07 54.04 3mux s TYR 163 Cb -0.16 -3.08 0.05 0.00 0.35 0.00 0.00 41.96 39.12 3mux s TYR 163 CO 0.14 -0.79 0.56 0.12 -1.34 0.00 0.00 175.55 174.24 3mux s PHE 164 N 2.14 -0.59 0.09 4.97 5.36 -0.92 -1.59 117.98 127.46 3mux s PHE 164 Ca 0.11 1.33 -0.00 0.00 -0.96 0.00 0.00 56.93 57.41 3mux s PHE 164 Cb -0.19 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 3mux s PHE 164 CO 0.12 -0.36 0.13 -0.35 -1.46 0.00 0.00 175.22 173.29 3mux n PRO 165 N 2.31 0.46 0.00 10.12 -0.04 -1.26 -3.99 135.00 142.60 3mux n PRO 165 Ca -0.15 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 3mux n PRO 165 Cb 0.56 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 3mux n PRO 165 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mux n LYS 167 N -1.24 0.00 0.00 0.54 5.02 -0.80 -4.70 118.16 116.98 3mux n LYS 167 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3mux n LYS 167 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 3mux n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mux n GLY 168 N 0.00 3.36 1.35 0.72 0.00 -0.06 -1.88 105.19 108.68 3mux n GLY 168 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3mux n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mux n LEU 169 N 0.00 4.60 0.26 0.99 4.77 -1.26 -4.59 117.00 121.77 3mux n LEU 169 Ca 0.00 -2.76 0.14 0.00 -0.03 0.00 0.00 56.01 53.36 3mux n LEU 169 Cb 0.00 -0.57 0.83 0.00 -2.33 0.00 0.00 43.42 41.36 3mux n LEU 169 CO 0.00 0.70 1.12 0.00 -1.33 0.00 0.00 177.39 177.88 3mux h ALA 170 N 3.06 1.72 -0.75 -1.18 0.00 -1.79 -2.36 119.26 117.94 3mux h ALA 170 Ca 0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 3mux h ALA 170 Cb 1.55 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.94 3mux h ALA 170 CO 0.29 -0.08 -0.67 0.72 0.00 0.00 0.00 179.25 179.50 3mux n HIS 171 N -4.00 2.71 -0.09 0.00 8.25 -1.26 -4.88 115.22 115.95 3mux n HIS 171 Ca -0.02 -2.26 -0.07 0.00 -0.26 0.00 0.00 57.72 55.11 3mux n HIS 171 Cb 0.15 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 30.84 3mux n HIS 171 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3mux h GLU 172 N 2.13 0.24 -0.57 -0.41 4.81 -1.75 0.64 114.58 119.68 3mux h GLU 172 Ca 0.38 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 3mux h GLU 172 Cb 1.47 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.75 3mux h GLU 172 CO 0.81 0.16 0.29 1.49 -0.73 0.00 0.00 179.01 181.02 3mux h GLU 173 N 0.25 0.53 -0.48 1.92 4.81 -1.90 0.67 114.58 120.38 3mux h GLU 173 Ca 0.15 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3mux h GLU 173 Cb 0.13 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3mux h GLU 173 CO -0.16 0.35 0.16 0.93 -0.73 0.00 0.00 179.01 179.56 3mux h GLU 174 N 0.54 0.74 -0.65 1.92 5.08 -1.80 -2.66 114.58 117.74 3mux h GLU 174 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3mux h GLU 174 Cb 0.18 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3mux h GLU 174 CO -0.18 0.69 0.36 -0.92 -1.00 0.00 0.00 179.01 177.96 3mux h TYR 175 N 0.64 0.90 -0.98 4.33 3.20 -0.34 -1.02 116.97 123.70 3mux h TYR 175 Ca 0.16 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.10 3mux h TYR 175 Cb 0.25 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.16 3mux h TYR 175 CO 0.01 0.64 0.63 0.00 -1.64 0.00 0.00 178.16 177.80 3mux h ARG 176 N 0.89 1.00 -0.34 1.82 3.08 -0.68 0.28 114.38 120.43 3mux h ARG 176 Ca 0.23 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 3mux h ARG 176 Cb 0.04 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3mux h ARG 176 CO -0.04 0.66 -0.41 0.00 -1.07 0.00 0.00 179.97 179.11 3mux h ALA 177 N 1.51 0.50 -0.41 0.04 0.00 -1.06 -1.16 119.26 118.68 3mux h ALA 177 Ca 0.45 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mux h ALA 177 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3mux h ALA 177 CO -0.21 0.63 0.27 0.28 0.00 0.00 0.00 179.25 180.22 3mux h VAL 178 N 0.67 1.11 -0.57 0.00 2.07 -0.51 -1.56 116.25 117.45 3mux h VAL 178 Ca 0.04 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3mux h VAL 178 Cb 1.01 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3mux h VAL 178 CO 0.10 0.10 0.33 0.00 0.02 0.00 0.00 177.57 178.13 3mux h ALA 179 N 1.14 0.73 -0.55 1.67 0.00 -0.82 -0.43 119.26 120.99 3mux h ALA 179 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3mux h ALA 179 Cb -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3mux h ALA 179 CO -0.03 0.22 0.36 -0.22 0.00 0.00 0.00 179.25 179.58 3mux h LYS 180 N 0.77 0.72 -0.48 0.00 3.64 -1.04 -0.46 116.57 119.72 3mux h LYS 180 Ca 0.20 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3mux h LYS 180 Cb 0.00 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3mux h LYS 180 CO -0.04 0.48 -0.03 0.00 -2.27 0.00 0.00 179.45 177.59 3mux h ALA 181 N 1.21 0.65 -0.75 5.00 0.00 -0.99 -0.79 119.26 123.58 3mux h ALA 181 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3mux h ALA 181 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3mux h ALA 181 CO -0.05 0.48 0.29 0.00 0.00 0.00 0.00 179.25 179.97 3mux h ALA 183 N 1.15 0.58 -0.35 0.00 0.00 -0.83 0.16 119.26 119.96 3mux h ALA 183 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3mux h ALA 183 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3mux h ALA 183 CO -0.02 0.15 0.11 0.93 0.00 0.00 0.00 179.25 180.41 3mux h GLU 184 N 0.59 0.50 -0.16 0.00 5.08 -0.88 -2.69 114.58 117.03 3mux h GLU 184 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3mux h GLU 184 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mux h GLU 184 CO -0.02 0.45 0.00 0.39 -1.00 0.00 0.00 179.01 178.83 3mux n GLU 185 N -4.37 2.29 -2.40 2.33 -0.58 -0.64 -4.97 120.64 112.31 3mux n GLU 185 Ca 0.02 -1.90 -0.14 0.00 -0.42 0.00 0.00 57.16 54.72 3mux n GLU 185 Cb 0.16 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3mux n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mux n GLY 186 N 1.37 -0.16 3.67 0.62 0.00 -0.38 -5.02 105.19 105.29 3mux n GLY 186 Ca 0.16 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3mux n GLY 186 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mux s PHE 187 N -2.76 2.93 0.50 1.61 5.36 -0.10 -4.96 117.98 120.57 3mux s PHE 187 Ca 0.06 -0.06 -0.07 0.00 -0.96 0.00 0.00 56.93 55.89 3mux s PHE 187 Cb -0.03 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 41.12 3mux s PHE 187 CO 0.07 0.48 0.83 0.00 -1.46 0.00 0.00 175.22 175.14 3mux s ALA 188 N -1.37 3.33 -0.01 11.12 0.00 -1.24 -4.44 121.76 129.14 3mux s ALA 188 Ca 0.26 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3mux s ALA 188 Cb -0.11 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.30 3mux s ALA 188 CO 0.18 -0.36 -0.02 -1.17 0.00 0.00 0.00 175.76 174.39 3mux s LEU 189 N -4.66 1.72 -0.52 0.00 2.96 -0.96 -1.95 118.68 115.27 3mux s LEU 189 Ca 0.50 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3mux s LEU 189 Cb -0.10 -0.16 0.15 0.00 0.50 0.00 0.00 46.19 46.57 3mux s LEU 189 CO 0.44 -0.01 0.31 -1.61 -1.32 0.00 0.00 176.35 174.16 3mux s GLU 190 N 0.30 1.70 0.17 1.98 2.02 0.60 -1.37 118.70 124.11 3mux s GLU 190 Ca -0.03 -2.49 -0.31 0.00 0.02 0.00 0.00 54.97 52.16 3mux s GLU 190 Cb -0.05 -2.75 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 3mux s GLU 190 CO -0.01 -1.20 1.44 -1.25 0.02 0.00 0.00 175.26 174.26 3mux s PRO 191 N -0.27 4.29 -0.06 0.39 0.04 -1.24 -1.57 135.00 136.58 3mux s PRO 191 Ca 0.21 2.20 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 3mux s PRO 191 Cb -0.17 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.20 3mux s PRO 191 CO -0.06 -0.46 0.19 0.99 0.04 0.00 0.00 177.00 177.71 3mux s THR 192 N 0.76 0.01 0.00 1.26 2.01 -0.62 -1.60 115.64 117.46 3mux s THR 192 Ca 0.64 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.52 3mux s THR 192 Cb -0.40 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3mux s THR 192 CO 0.34 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 3mux n GLY 193 N 2.68 1.88 2.15 4.40 0.00 -1.26 -4.22 105.19 110.83 3mux n GLY 193 Ca -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 3mux n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mux n GLY 194 N 0.78 0.68 3.72 -0.02 0.00 -1.26 -0.88 105.19 108.21 3mux n GLY 194 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3mux n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mux s ILE 195 N -2.11 4.82 0.30 -0.61 1.01 -1.26 -3.55 121.20 119.79 3mux s ILE 195 Ca 0.00 1.98 0.06 0.00 0.00 0.00 0.00 60.65 62.69 3mux s ILE 195 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3mux s ILE 195 CO 0.00 0.21 0.21 -0.90 0.00 0.00 0.00 174.94 174.45 3mux n ASP 196 N 3.65 -0.13 0.29 3.58 5.68 -1.26 -4.53 116.55 123.82 3mux n ASP 196 Ca 0.04 -2.85 0.17 0.00 -0.50 0.00 0.00 54.79 51.65 3mux n ASP 196 Cb 0.51 1.28 0.82 0.00 -1.14 0.00 0.00 41.12 42.58 3mux n ASP 196 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3mux h LYS 197 N 0.00 0.00 0.06 0.11 1.57 -1.96 -1.69 116.57 114.67 3mux h LYS 197 Ca -0.22 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.28 3mux h LYS 197 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3mux h LYS 197 CO 0.33 0.04 -1.48 0.93 -0.57 0.00 0.00 179.45 178.70 3mux h GLU 198 N 0.00 0.13 -0.02 3.15 5.08 -1.99 -3.37 114.58 117.57 3mux h GLU 198 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3mux h GLU 198 Cb 0.36 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3mux h GLU 198 CO 0.01 0.94 -0.15 0.27 -1.00 0.00 0.00 179.01 179.07 3mux n ASN 199 N -3.33 1.93 -0.07 1.42 0.23 -1.14 -4.63 115.26 109.67 3mux n ASN 199 Ca -0.14 -1.46 -0.08 0.00 -0.53 0.00 0.00 54.58 52.37 3mux n ASN 199 Cb 1.02 0.23 -0.01 0.00 -2.08 0.00 0.00 39.78 38.94 3mux n ASN 199 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3mux h PHE 200 N 2.37 0.14 -0.46 -2.53 3.57 -1.47 -1.47 116.94 117.09 3mux h PHE 200 Ca 0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3mux h PHE 200 Cb 0.58 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3mux h PHE 200 CO 0.00 0.06 0.26 1.49 -2.23 0.00 0.00 178.31 177.89 3mux h GLU 201 N 0.19 0.51 -0.49 1.11 4.81 -1.83 0.37 114.58 119.25 3mux h GLU 201 Ca 0.12 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3mux h GLU 201 Cb 0.10 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3mux h GLU 201 CO -0.13 0.33 0.12 1.15 -0.73 0.00 0.00 179.01 179.75 3mux h THR 202 N 0.52 1.24 -0.55 0.32 2.02 -1.80 0.13 112.91 114.79 3mux h THR 202 Ca 0.19 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 3mux h THR 202 Cb 0.04 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3mux h THR 202 CO -0.10 0.30 0.16 0.40 0.37 0.00 0.00 175.52 176.65 3mux h ILE 203 N 0.67 1.24 -0.27 3.11 2.04 -0.89 -1.09 117.51 122.31 3mux h ILE 203 Ca 0.15 -0.81 -0.18 0.00 1.00 0.00 0.00 64.86 65.02 3mux h ILE 203 Cb 0.33 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3mux h ILE 203 CO 0.00 0.30 -0.55 0.25 0.00 0.00 0.00 178.15 178.15 3mux h LEU 204 N 0.76 0.91 -1.07 1.44 5.85 -0.78 -3.09 115.31 119.33 3mux h LEU 204 Ca 0.18 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3mux h LEU 204 Cb 0.29 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3mux h LEU 204 CO -0.00 1.28 0.49 -0.09 -0.34 0.00 0.00 178.44 179.77 3mux h ARG 205 N 0.63 1.13 -0.49 1.25 2.43 -0.55 -1.48 114.38 117.30 3mux h ARG 205 Ca 0.01 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3mux h ARG 205 Cb 1.15 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 3mux h ARG 205 CO 0.12 0.80 0.28 0.82 -1.51 0.00 0.00 179.97 180.48 3mux h ILE 206 N 1.14 1.03 -0.35 1.20 2.04 -1.13 0.16 117.51 121.61 3mux h ILE 206 Ca 0.30 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3mux h ILE 206 Cb -0.03 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3mux h ILE 206 CO -0.05 0.10 0.01 0.00 0.00 0.00 0.00 178.15 178.21 3mux h ALA 207 N 1.23 0.47 -0.36 1.87 0.00 -1.40 -2.26 119.26 118.82 3mux h ALA 207 Ca 0.20 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3mux h ALA 207 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3mux h ALA 207 CO -0.10 0.22 -0.34 -0.07 0.00 0.00 0.00 179.25 178.96 3mux h LEU 208 N 0.42 0.85 -1.20 0.00 3.38 -0.99 -2.00 115.31 115.76 3mux h LEU 208 Ca 0.10 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3mux h LEU 208 Cb 0.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3mux h LEU 208 CO 0.02 1.10 0.13 -0.33 0.09 0.00 0.00 178.44 179.45 3mux h GLU 209 N 0.67 0.69 0.00 1.13 5.08 -0.68 -1.03 114.58 120.44 3mux h GLU 209 Ca 0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3mux h GLU 209 Cb 0.88 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3mux h GLU 209 CO 0.08 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 3mux n ALA 210 N -2.47 1.85 -2.61 3.43 0.00 -0.85 -4.90 120.51 114.96 3mux n ALA 210 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 3mux n ALA 210 Cb 0.19 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.29 3mux n ALA 210 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mux n ASN 211 N -1.92 -3.21 -4.72 0.00 5.15 -0.39 -4.73 115.26 105.43 3mux n ASN 211 Ca 0.04 -0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 53.48 3mux n ASN 211 Cb 0.26 -2.04 -0.03 0.00 -0.53 0.00 0.00 39.78 37.44 3mux n ASN 211 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3mux s VAL 212 N -2.84 3.00 -0.01 3.44 1.01 -0.78 -4.65 120.40 119.58 3mux s VAL 212 Ca 0.13 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 3mux s VAL 212 Cb -0.06 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.67 3mux s VAL 212 CO 0.16 0.06 1.21 -0.08 0.00 0.00 0.00 175.10 176.44 3mux h GLU 213 N 6.74 0.23 -4.67 2.72 4.57 -1.90 -3.44 114.58 118.84 3mux h GLU 213 Ca -0.42 -0.16 -0.57 0.00 -1.18 0.00 0.00 59.36 57.03 3mux h GLU 213 Cb 1.21 0.03 -0.34 0.00 -0.16 0.00 0.00 28.75 29.48 3mux h GLU 213 CO 0.88 0.78 -0.83 -0.65 -1.18 0.00 0.00 179.01 178.01 3mux s GLN 214 N -3.83 2.06 -0.04 1.92 -0.21 -1.26 -4.39 119.66 113.91 3mux s GLN 214 Ca -0.15 -0.51 0.04 0.00 0.02 0.00 0.00 55.36 54.76 3mux s GLN 214 Cb 0.03 -1.75 -0.00 0.00 1.00 0.00 0.00 33.01 32.28 3mux s GLN 214 CO 0.74 -0.05 -0.15 0.08 -2.12 0.00 0.00 175.29 173.79 3mux s VAL 215 N 0.94 1.26 -0.44 1.09 1.01 -0.18 -2.25 120.40 121.83 3mux s VAL 215 Ca -0.08 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3mux s VAL 215 Cb -0.15 -1.09 0.13 0.00 0.00 0.00 0.00 36.38 35.26 3mux s VAL 215 CO -0.00 0.37 0.21 -0.63 0.00 0.00 0.00 175.10 175.05 3mux s ILE 216 N 0.09 1.77 0.19 2.22 1.01 -0.47 -2.15 121.20 123.86 3mux s ILE 216 Ca -0.04 -2.63 -0.30 0.00 0.00 0.00 0.00 60.65 57.68 3mux s ILE 216 Cb -0.11 -2.25 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 3mux s ILE 216 CO 0.02 -0.82 1.13 -2.16 0.00 0.00 0.00 174.94 173.12 3mux s PRO 217 N 0.35 4.56 -0.20 2.79 0.04 -1.24 -3.66 135.00 137.65 3mux s PRO 217 Ca 0.16 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 3mux s PRO 217 Cb -0.24 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 3mux s PRO 217 CO -0.03 0.03 0.09 -1.01 0.04 0.00 0.00 177.00 176.12 3mux s HIS 218 N -0.26 3.28 -0.18 0.56 3.76 -0.63 -1.62 115.29 120.20 3mux s HIS 218 Ca 0.50 0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 3mux s HIS 218 Cb -0.31 -2.14 0.05 0.00 1.11 0.00 0.00 32.58 31.29 3mux s HIS 218 CO 0.36 0.13 -0.04 0.08 -0.85 0.00 0.00 174.74 174.42 3mux s VAL 219 N 0.57 1.12 0.00 -0.90 1.01 -0.29 -4.45 120.40 117.46 3mux s VAL 219 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3mux s VAL 219 Cb -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3mux s VAL 219 CO 0.01 0.06 0.00 -1.22 0.00 0.00 0.00 175.10 173.94 3mux n TYR 220 N 4.86 0.00 0.29 5.22 4.01 -1.26 -4.22 117.16 126.06 3mux n TYR 220 Ca -0.12 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.80 3mux n TYR 220 Cb 0.47 0.00 0.89 0.00 -0.31 0.00 0.00 39.34 40.39 3mux n TYR 220 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3mux h SER 221 N 0.00 0.00 0.61 7.72 4.64 -1.96 -2.79 113.55 121.77 3mux h SER 221 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mux h SER 221 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mux h SER 221 CO 0.00 0.05 0.00 0.77 -0.87 0.00 0.00 176.83 176.78 3mux h SER 222 N 0.00 0.00 -0.14 4.97 4.64 -1.90 -2.36 113.55 118.75 3mux h SER 222 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mux h SER 222 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3mux h SER 222 CO 0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 3mux n ILE 223 N -2.83 1.97 -3.90 0.95 -5.35 -1.05 -4.84 119.36 104.31 3mux n ILE 223 Ca -0.00 -1.94 -0.35 0.00 -0.27 0.00 0.00 62.75 60.19 3mux n ILE 223 Cb 0.21 -0.16 -0.09 0.00 -1.74 0.00 0.00 39.64 37.86 3mux n ILE 223 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3mux s ILE 224 N -2.64 5.07 -0.03 7.28 1.01 -0.89 -0.88 121.20 130.12 3mux s ILE 224 Ca 0.34 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 3mux s ILE 224 Cb 0.28 -3.29 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 3mux s ILE 224 CO 0.06 0.47 1.86 -0.62 0.00 0.00 0.00 174.94 176.70 3mux s ASP 225 N 0.25 6.44 0.43 3.58 -1.08 0.19 -4.89 116.67 121.58 3mux s ASP 225 Ca 0.06 2.39 0.14 0.00 -0.52 0.00 0.00 52.55 54.61 3mux s ASP 225 Cb -0.12 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 39.74 3mux s ASP 225 CO -0.01 -1.10 1.95 0.07 0.52 0.00 0.00 175.17 176.61 3mux h LYS 226 N 10.60 0.00 0.01 4.34 5.09 -1.95 0.67 116.57 135.34 3mux h LYS 226 Ca -0.44 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.30 3mux h LYS 226 Cb 1.21 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 3mux h LYS 226 CO 0.95 0.23 -0.00 1.05 -2.09 0.00 0.00 179.45 179.59 3mux h GLU 227 N 0.00 -0.01 0.00 0.07 9.09 -1.98 -3.39 114.58 118.37 3mux h GLU 227 Ca -0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 3mux h GLU 227 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.48 3mux h GLU 227 CO 0.03 0.80 -1.50 0.25 0.05 0.00 0.00 179.01 178.64 3mux n THR 228 N -4.68 0.98 -0.48 -1.06 -2.24 -1.22 -4.97 114.28 100.61 3mux n THR 228 Ca -0.09 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3mux n THR 228 Cb 0.40 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3mux n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mux n GLY 229 N 1.38 1.13 3.74 3.38 0.00 0.22 -5.03 105.19 110.01 3mux n GLY 229 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3mux n GLY 229 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mux s ASN 230 N -3.08 7.56 0.20 1.61 0.01 -1.25 -4.53 114.94 115.45 3mux s ASN 230 Ca 0.00 1.87 -0.31 0.00 -0.71 0.00 0.00 52.86 53.71 3mux s ASN 230 Cb 0.00 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 3mux s ASN 230 CO 0.00 0.03 1.53 -0.89 -1.51 0.00 0.00 177.10 176.26 3mux s THR 231 N -0.52 2.58 -0.15 1.60 2.01 -1.26 -0.64 115.64 119.27 3mux s THR 231 Ca 0.44 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.60 3mux s THR 231 Cb -0.25 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 3mux s THR 231 CO 0.31 0.05 0.99 -0.54 -0.69 0.00 0.00 174.62 174.74 3mux s LYS 232 N 0.48 4.36 0.30 4.92 1.02 -0.06 -4.89 119.74 125.87 3mux s LYS 232 Ca 0.66 1.34 0.04 0.00 0.02 0.00 0.00 55.97 58.03 3mux s LYS 232 Cb -0.44 -3.57 0.47 0.00 -0.52 0.00 0.00 37.83 33.77 3mux s LYS 232 CO 0.37 -0.40 1.75 1.79 -0.92 0.00 0.00 175.35 177.93 3mux h THR 233 N 5.20 1.26 -0.45 2.17 1.35 -1.92 -1.84 112.91 118.68 3mux h THR 233 Ca -0.28 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 3mux h THR 233 Cb 1.12 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 3mux h THR 233 CO 0.89 0.39 0.14 1.05 -0.25 0.00 0.00 175.52 177.73 3mux h GLU 234 N 0.36 0.67 -0.31 4.72 9.09 -1.98 0.07 114.58 127.19 3mux h GLU 234 Ca 0.05 -0.11 -0.13 0.00 0.05 0.00 0.00 59.36 59.23 3mux h GLU 234 Cb 0.65 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 3mux h GLU 234 CO 0.05 0.59 -0.30 -0.44 0.05 0.00 0.00 179.01 178.95 3mux h ASP 235 N 0.65 0.80 -0.67 3.06 5.19 -1.81 -1.38 116.42 122.28 3mux h ASP 235 Ca 0.15 -0.47 0.04 0.00 -0.62 0.00 0.00 57.03 56.13 3mux h ASP 235 Cb 0.20 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.44 3mux h ASP 235 CO -0.01 1.11 0.40 0.58 -3.12 0.00 0.00 179.24 178.20 3mux h VAL 236 N 0.52 1.05 -0.89 -1.35 2.07 -0.98 -0.42 116.25 116.24 3mux h VAL 236 Ca 0.05 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3mux h VAL 236 Cb 0.88 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3mux h VAL 236 CO 0.08 0.14 0.55 0.03 0.02 0.00 0.00 177.57 178.39 3mux h ARG 237 N 0.78 1.21 -0.57 1.57 3.08 -0.87 -0.46 114.38 119.12 3mux h ARG 237 Ca 0.28 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3mux h ARG 237 Cb 0.07 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3mux h ARG 237 CO -0.13 0.84 0.25 1.49 -1.07 0.00 0.00 179.97 181.35 3mux h GLU 238 N 1.23 0.83 -0.55 0.04 4.81 -0.65 -1.41 114.58 118.87 3mux h GLU 238 Ca 0.32 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3mux h GLU 238 Cb -0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3mux h GLU 238 CO -0.06 0.69 0.16 -0.07 -0.73 0.00 0.00 179.01 179.00 3mux h LEU 239 N 0.77 0.81 -0.96 1.64 3.38 -0.77 -2.59 115.31 117.58 3mux h LEU 239 Ca 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3mux h LEU 239 Cb 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3mux h LEU 239 CO -0.02 0.81 0.39 0.25 0.09 0.00 0.00 178.44 179.96 3mux h LEU 240 N 0.77 1.02 -0.80 1.67 5.85 -0.86 -0.33 115.31 122.63 3mux h LEU 240 Ca 0.18 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3mux h LEU 240 Cb 0.30 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3mux h LEU 240 CO -0.00 0.85 0.52 0.00 -0.34 0.00 0.00 178.44 179.47 3mux h ALA 241 N 1.30 1.04 -0.29 1.25 0.00 -1.05 -0.33 119.26 121.18 3mux h ALA 241 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3mux h ALA 241 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3mux h ALA 241 CO -0.04 0.36 0.14 0.28 0.00 0.00 0.00 179.25 180.00 3mux h VAL 242 N 1.03 1.15 -0.35 0.00 2.07 -0.97 -1.57 116.25 117.61 3mux h VAL 242 Ca 0.31 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.49 3mux h VAL 242 Cb -0.04 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3mux h VAL 242 CO -0.09 0.15 -0.04 0.58 0.02 0.00 0.00 177.57 178.18 3mux h VAL 243 N 0.34 0.70 -0.54 2.57 2.07 -0.52 -0.51 116.25 120.36 3mux h VAL 243 Ca 0.10 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3mux h VAL 243 Cb 0.10 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3mux h VAL 243 CO -0.01 0.01 0.04 0.11 0.02 0.00 0.00 177.57 177.74 3mux h LYS 244 N 0.05 0.92 -0.43 1.57 1.57 -0.93 0.53 116.57 119.86 3mux h LYS 244 Ca 0.17 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3mux h LYS 244 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3mux h LYS 244 CO -0.32 0.92 0.26 -0.22 -0.57 0.00 0.00 179.45 179.52 3mux h LYS 245 N 0.81 0.52 -0.13 3.15 3.64 -0.99 -0.03 116.57 123.54 3mux h LYS 245 Ca 0.16 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 3mux h LYS 245 Cb 0.47 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3mux h LYS 245 CO 0.02 0.34 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.00 3mux h LEU 246 N 0.54 0.64 -0.73 5.20 3.38 -0.82 -2.74 115.31 120.78 3mux h LEU 246 Ca 0.16 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 3mux h LEU 246 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3mux h LEU 246 CO -0.06 1.15 0.12 0.58 0.09 0.00 0.00 178.44 180.32 3mux h VAL 247 N 0.17 1.26 -0.71 1.22 2.07 -0.82 -0.89 116.25 118.55 3mux h VAL 247 Ca -0.02 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.50 3mux h VAL 247 Cb 1.11 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3mux h VAL 247 CO 0.10 0.38 0.47 0.44 0.02 0.00 0.00 177.57 178.98 3mux h ASP 248 N 1.03 0.80 -0.25 0.57 3.32 -1.02 -2.84 116.42 118.03 3mux h ASP 248 Ca 0.21 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 3mux h ASP 248 Cb 0.42 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3mux h ASP 248 CO 0.01 0.57 -0.50 -0.61 -1.72 0.00 0.00 179.24 176.99 3mux h GLN 249 N 0.94 0.77 -0.03 3.56 4.15 -1.05 -3.51 115.11 119.94 3mux h GLN 249 Ca 0.27 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3mux h GLN 249 Cb -0.07 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3mux h GLN 249 CO -0.06 1.13 0.00 0.66 -1.93 0.00 0.00 178.83 178.63