#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mux h ASN 3 N 0.00 0.09 0.84 8.00 -0.26 -1.96 -1.00 115.58 121.29 3mux h ASN 3 Ca 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3mux h ASN 3 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3mux h ASN 3 CO 0.00 0.08 0.00 -0.29 -1.06 0.00 0.00 177.43 176.16 3mux h ILE 4 N 0.16 0.00 -0.05 2.81 2.10 -1.95 -3.21 117.51 117.37 3mux h ILE 4 Ca 0.08 -0.35 -0.00 0.00 1.08 0.00 0.00 64.86 65.66 3mux h ILE 4 Cb 0.04 1.21 -0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3mux h ILE 4 CO -0.07 0.00 0.03 1.56 -1.08 0.00 0.00 178.15 178.59 3mux h GLN 5 N 0.00 0.07 0.00 2.19 1.08 -1.58 -0.48 115.11 116.39 3mux h GLN 5 Ca 0.00 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3mux h GLN 5 Cb 0.42 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3mux h GLN 5 CO 0.00 0.06 -0.00 0.87 -0.95 0.00 0.00 178.83 178.80 3mux h LYS 6 N 0.07 0.00 -0.00 1.46 1.57 -1.64 -2.65 116.57 115.38 3mux h LYS 6 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mux h LYS 6 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3mux h LYS 6 CO -0.00 0.00 -0.24 0.54 -0.57 0.00 0.00 179.45 179.18 3mux n ARG 7 N -3.45 0.50 -3.27 3.15 5.12 -0.19 -4.83 116.66 113.69 3mux n ARG 7 Ca -0.03 -0.23 -0.40 0.00 -1.93 0.00 0.00 57.85 55.26 3mux n ARG 7 Cb 0.08 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.81 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 -2.66 3.28 0.03 -1.55 0.08 -1.00 -3.77 117.98 112.39 3mux s PHE 8 Ca 0.22 0.62 -0.30 0.00 0.12 0.00 0.00 56.93 57.58 3mux s PHE 8 Cb 0.19 -2.68 -0.08 0.00 -0.57 0.00 0.00 43.02 39.88 3mux s PHE 8 CO 0.55 -0.23 1.78 -0.47 -0.10 0.00 0.00 175.22 176.74 3mux s TYR 9 N 2.13 1.89 -1.00 0.36 5.04 0.59 -2.02 117.35 124.34 3mux s TYR 9 Ca 0.20 -0.01 -0.06 0.00 -2.44 0.00 0.00 57.07 54.76 3mux s TYR 9 Cb -0.16 -4.07 0.05 0.00 0.35 0.00 0.00 41.96 38.14 3mux s TYR 9 CO 0.09 -4.55 0.27 1.63 -1.34 0.00 0.00 175.55 171.66 3mux n LYS 10 N 6.66 -2.80 -0.90 4.97 5.02 -1.26 -0.89 118.16 128.96 3mux n LYS 10 Ca 0.18 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3mux n LYS 10 Cb 0.41 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 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 -0.93 0.49 0.24 0.72 0.00 -0.85 -4.87 105.19 99.99 3mux n GLY 11 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.80 0.31 -3.76 1.61 5.12 -0.07 -4.69 116.66 113.38 3mux n ARG 12 Ca 0.00 0.09 -0.15 0.00 -1.93 0.00 0.00 57.85 55.86 3mux n ARG 12 Cb 0.08 -1.16 -0.16 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.25 -0.06 0.01 1.55 1.01 -1.18 -1.08 120.40 118.38 3mux s VAL 13 Ca -0.18 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.12 3mux s VAL 13 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 3mux s VAL 13 CO 0.28 0.10 -0.25 0.00 0.00 0.00 0.00 175.10 175.22 3mux s ALA 14 N 1.16 2.13 0.40 5.51 0.00 -0.89 -0.30 121.76 129.78 3mux s ALA 14 Ca -0.08 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 3mux s ALA 14 Cb -0.13 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 3mux s ALA 14 CO -0.03 0.51 0.86 -0.51 0.00 0.00 0.00 175.76 176.59 3mux s LEU 15 N -0.84 3.92 -0.18 0.00 1.43 -0.58 -3.52 118.68 118.90 3mux s LEU 15 Ca 0.10 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 3mux s LEU 15 Cb -0.10 -4.31 0.04 0.00 0.03 0.00 0.00 46.19 41.85 3mux s LEU 15 CO 0.00 -0.35 -0.08 0.21 0.23 0.00 0.00 176.35 176.36 3mux s ASN 16 N -2.48 3.03 0.14 2.29 3.84 -0.63 -0.97 114.94 120.16 3mux s ASN 16 Ca 0.57 -0.73 0.03 0.00 0.21 0.00 0.00 52.86 52.95 3mux s ASN 16 Cb -0.10 -1.06 -0.04 0.00 -0.55 0.00 0.00 41.25 39.50 3mux s ASN 16 CO 0.20 -0.16 -0.08 0.68 -2.79 0.00 0.00 177.10 174.95 3mux s VAL 17 N 1.53 0.98 0.37 -5.21 -7.23 -1.10 -1.27 120.40 108.47 3mux s VAL 17 Ca 0.00 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.08 3mux s VAL 17 Cb -0.15 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 3mux s VAL 17 CO -0.08 -0.73 0.69 -0.76 -0.31 0.00 0.00 175.10 173.91 3mux s LEU 18 N -3.14 3.90 0.05 1.32 1.43 -1.26 -0.19 118.68 120.79 3mux s LEU 18 Ca 0.17 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 3mux s LEU 18 Cb 0.04 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 3mux s LEU 18 CO -0.00 -0.34 -0.21 0.00 0.23 0.00 0.00 176.35 176.02 3mux s ALA 19 N -2.30 2.47 0.18 4.21 0.00 -1.04 -4.56 121.76 120.72 3mux s ALA 19 Ca 0.48 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3mux s ALA 19 Cb -0.10 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.43 3mux s ALA 19 CO 0.32 0.56 1.42 -0.97 0.00 0.00 0.00 175.76 177.09 3mux h ASN 20 N 4.55 0.06 -5.63 0.00 -1.24 -1.90 -3.47 115.58 107.93 3mux h ASN 20 Ca -0.48 -0.05 0.26 0.00 0.71 0.00 0.00 56.30 56.75 3mux h ASN 20 Cb 1.15 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 40.13 3mux h ASN 20 CO 0.46 0.87 0.75 0.54 -1.29 0.00 0.00 177.43 178.75 3mux s ASN 21 N -6.81 -0.01 0.23 1.15 2.20 -1.26 -5.02 114.94 105.42 3mux s ASN 21 Ca -0.01 -0.40 -0.03 0.00 -0.94 0.00 0.00 52.86 51.48 3mux s ASN 21 Cb 0.11 0.31 0.23 0.00 -2.00 0.00 0.00 41.25 39.90 3mux s ASN 21 CO 0.80 -0.61 1.64 -0.29 -2.94 0.00 0.00 177.10 175.71 3mux h ILE 22 N 2.00 1.27 -0.69 0.54 2.10 -1.99 -0.66 117.51 120.08 3mux h ILE 22 Ca -0.25 -1.33 -0.06 0.00 1.08 0.00 0.00 64.86 64.30 3mux h ILE 22 Cb 1.20 1.25 -0.03 0.00 -1.09 0.00 0.00 36.82 38.15 3mux h ILE 22 CO 0.33 0.44 0.21 1.05 -1.08 0.00 0.00 178.15 179.09 3mux h GLU 23 N 0.62 1.07 -0.55 2.19 9.09 -2.00 -0.73 114.58 124.27 3mux h GLU 23 Ca 0.09 -0.22 -0.09 0.00 0.05 0.00 0.00 59.36 59.18 3mux h GLU 23 Cb 0.73 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 27.65 3mux h GLU 23 CO 0.06 0.92 -0.01 -0.97 0.05 0.00 0.00 179.01 179.05 3mux h ASN 24 N 1.02 0.97 -0.65 3.06 -1.24 -1.88 -2.33 115.58 114.52 3mux h ASN 24 Ca 0.22 -0.31 0.05 0.00 0.71 0.00 0.00 56.30 56.97 3mux h ASN 24 Cb 0.30 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 3mux h ASN 24 CO -0.01 1.05 0.37 0.00 -1.29 0.00 0.00 177.43 177.55 3mux h ALA 25 N 0.96 0.86 -0.55 1.57 0.00 -0.63 0.68 119.26 122.14 3mux h ALA 25 Ca 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3mux h ALA 25 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3mux h ALA 25 CO 0.03 0.08 0.01 0.87 0.00 0.00 0.00 179.25 180.24 3mux h LYS 26 N 0.71 0.94 -0.43 0.00 1.57 -1.00 -0.90 116.57 117.46 3mux h LYS 26 Ca 0.28 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3mux h LYS 26 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3mux h LYS 26 CO -0.16 0.92 -0.14 0.22 -0.57 0.00 0.00 179.45 179.72 3mux h ASP 27 N 0.87 0.87 -0.20 0.86 3.58 -0.83 -1.96 116.42 119.61 3mux h ASP 27 Ca 0.16 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 3mux h ASP 27 Cb 0.50 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3mux h ASP 27 CO 0.02 1.05 0.11 0.40 -2.88 0.00 0.00 179.24 177.95 3mux h ILE 28 N 0.68 1.10 -0.94 2.25 2.04 -0.73 -0.88 117.51 121.03 3mux h ILE 28 Ca 0.10 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3mux h ILE 28 Cb 0.69 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3mux h ILE 28 CO 0.05 0.10 0.62 0.15 0.00 0.00 0.00 178.15 179.06 3mux h PHE 29 N 0.22 1.17 -0.23 1.37 3.57 -1.00 -0.38 116.94 121.66 3mux h PHE 29 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3mux h PHE 29 Cb 0.06 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 3mux h PHE 29 CO -0.04 0.72 0.05 1.49 -2.23 0.00 0.00 178.31 178.29 3mux h GLU 30 N 1.24 0.37 -0.44 1.11 4.22 -1.26 -0.42 114.58 119.40 3mux h GLU 30 Ca 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.67 3mux h GLU 30 Cb -0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3mux h GLU 30 CO -0.09 0.50 0.17 0.00 -2.18 0.00 0.00 179.01 177.41 3mux h ALA 31 N 0.86 1.47 -0.06 2.92 0.00 -0.53 -1.53 119.26 122.39 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 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mux h ALA 31 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3mux n ALA 32 N -2.47 2.58 -3.25 0.00 0.00 -0.21 -4.41 120.51 112.76 3mux n ALA 32 Ca 0.03 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 3mux n ALA 32 Cb 0.15 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.16 -4.19 -0.95 0.00 1.02 -0.58 -1.21 120.64 114.57 3mux n GLU 33 Ca 0.18 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 3mux n GLU 33 Cb 0.25 -5.45 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 -1.35 1.09 2.51 0.62 0.00 -0.20 -4.93 105.19 102.92 3mux n GLY 34 Ca -0.05 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 2.25 -3.59 1.61 4.01 -0.35 -4.57 117.16 114.52 3mux n TYR 35 Ca 0.00 -2.46 -0.17 0.00 -0.16 0.00 0.00 57.90 55.11 3mux n TYR 35 Cb 0.00 -1.60 -0.07 0.00 -0.31 0.00 0.00 39.34 37.36 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 -1.90 0.01 -0.06 -0.72 0.11 -1.25 -1.52 120.40 115.08 3mux s VAL 36 Ca 0.55 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.53 3mux s VAL 36 Cb 0.27 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 3mux s VAL 36 CO -0.16 -0.07 -0.20 0.68 -3.33 0.00 0.00 175.10 172.03 3mux s VAL 37 N -1.15 2.57 -0.22 2.04 -7.23 -0.15 -4.90 120.40 111.37 3mux s VAL 37 Ca -0.11 -0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 3mux s VAL 37 Cb -0.02 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 3mux s VAL 37 CO 0.08 0.58 0.02 -0.69 -0.31 0.00 0.00 175.10 174.77 3mux s VAL 38 N -0.42 3.98 0.09 1.32 1.01 -0.10 -2.71 120.40 123.57 3mux s VAL 38 Ca 0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3mux s VAL 38 Cb -0.12 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 3mux s VAL 38 CO 0.02 0.40 1.08 -0.83 0.00 0.00 0.00 175.10 175.77 3mux s GLY 39 N 1.25 2.75 -0.07 4.51 0.00 0.73 -0.34 107.32 116.14 3mux s GLY 39 Ca 0.04 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.50 3mux s GLY 39 CO 0.01 1.76 -0.12 0.14 0.00 0.00 0.00 173.10 174.89 3mux s VAL 40 N 0.51 1.17 -0.18 1.40 1.01 -0.34 -2.50 120.40 121.47 3mux s VAL 40 Ca 0.53 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 3mux s VAL 40 Cb -0.26 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3mux s VAL 40 CO 0.31 0.37 0.24 -0.76 0.00 0.00 0.00 175.10 175.25 3mux s LEU 41 N 0.76 4.22 0.38 3.92 1.43 -1.26 -0.85 118.68 127.28 3mux s LEU 41 Ca -0.13 0.39 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 3mux s LEU 41 Cb -0.16 -2.27 0.87 0.00 0.03 0.00 0.00 46.19 44.67 3mux s LEU 41 CO 0.03 0.11 1.92 0.77 0.23 0.00 0.00 176.35 179.41 3mux h SER 42 N 6.76 0.56 0.62 2.29 4.64 -1.51 -2.05 113.55 124.87 3mux h SER 42 Ca -0.41 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3mux h SER 42 Cb 1.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mux h SER 42 CO 0.75 0.32 0.00 2.29 -0.87 0.00 0.00 176.83 179.32 3mux n LYS 43 N -4.50 0.04 -0.01 4.77 2.85 -1.26 -2.71 118.16 117.33 3mux n LYS 43 Ca 0.14 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.76 3mux n LYS 43 Cb 0.40 -1.56 0.66 0.00 -0.65 0.00 0.00 35.03 33.87 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 -1.63 0.45 -4.10 -5.58 8.00 -0.77 -4.80 116.55 108.11 3mux n ASP 44 Ca 0.04 -1.33 -0.20 0.00 0.71 0.00 0.00 54.79 54.01 3mux n ASP 44 Cb 0.21 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.97 1.08 -0.42 1.24 2.02 -1.10 -5.06 117.35 113.15 3mux s TYR 45 Ca 0.37 -0.29 0.25 0.00 -0.37 0.00 0.00 57.07 57.03 3mux s TYR 45 Cb 0.18 -0.67 0.61 0.00 -0.40 0.00 0.00 41.96 41.68 3mux s TYR 45 CO 0.29 0.00 1.70 -1.00 -1.57 0.00 0.00 175.55 174.98 3mux h PRO 46 N 5.31 0.00 -4.62 -1.71 0.13 -1.87 -3.46 132.00 125.78 3mux h PRO 46 Ca -0.35 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.56 3mux h PRO 46 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3mux h PRO 46 CO 0.46 0.00 -0.69 0.95 -0.23 0.00 0.00 178.00 178.49 3mux s THR 47 N -3.26 0.63 0.19 1.56 -4.23 -1.26 -5.04 115.64 104.22 3mux s THR 47 Ca 0.07 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 3mux s THR 47 Cb 0.07 -1.72 0.10 0.00 1.34 0.00 0.00 72.50 72.29 3mux s THR 47 CO 0.63 -0.83 1.85 0.58 -0.54 0.00 0.00 174.62 176.31 3mux h VAL 48 N 2.95 1.15 -0.59 2.29 2.07 -1.94 -2.29 116.25 119.88 3mux h VAL 48 Ca -0.35 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3mux h VAL 48 Cb 1.17 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3mux h VAL 48 CO 0.64 0.15 0.31 -0.33 0.02 0.00 0.00 177.57 178.36 3mux h GLU 49 N 0.83 0.57 -0.42 1.57 3.07 -1.99 -0.08 114.58 118.12 3mux h GLU 49 Ca 0.23 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 3mux h GLU 49 Cb -0.08 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 3mux h GLU 49 CO -0.06 0.37 -0.21 0.93 -1.40 0.00 0.00 179.01 178.64 3mux h GLU 50 N 0.58 0.85 -0.35 2.33 5.08 -1.94 -1.42 114.58 119.71 3mux h GLU 50 Ca 0.26 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3mux h GLU 50 Cb 0.17 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3mux h GLU 50 CO -0.17 0.98 0.19 0.00 -1.00 0.00 0.00 179.01 179.00 3mux h ALA 51 N 1.02 0.45 -0.38 3.43 0.00 -0.85 -1.82 119.26 121.12 3mux h ALA 51 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mux h ALA 51 Cb 0.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3mux h ALA 51 CO 0.06 -0.01 0.23 0.28 0.00 0.00 0.00 179.25 179.80 3mux h VAL 52 N 0.44 1.05 -0.44 0.00 2.07 -0.88 -2.70 116.25 115.78 3mux h VAL 52 Ca 0.12 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3mux h VAL 52 Cb 0.08 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3mux h VAL 52 CO -0.02 0.08 0.23 0.74 0.02 0.00 0.00 177.57 178.62 3mux h THR 53 N 0.46 0.98 0.00 2.57 2.02 -1.15 -0.24 112.91 117.54 3mux h THR 53 Ca 0.15 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3mux h THR 53 Cb -0.01 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3mux h THR 53 CO -0.06 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3mux n ALA 54 N -2.30 1.60 0.00 6.16 0.00 -0.69 -1.85 120.51 123.43 3mux n ALA 54 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3mux n ALA 54 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.59 0.00 -0.15 0.00 5.02 -0.10 -1.14 118.16 122.38 3mux n LYS 56 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3mux n LYS 56 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.11 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 0.59 -0.40 7.82 0.00 -1.61 -0.92 119.26 124.74 3mux h ALA 57 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3mux h ALA 57 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mux h ALA 57 CO 0.00 0.47 0.27 1.88 0.00 0.00 0.00 179.25 181.86 3mux h TYR 58 N 0.65 0.50 -0.32 0.00 0.05 -1.41 -2.99 116.97 113.44 3mux h TYR 58 Ca 0.11 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3mux h TYR 58 Cb 0.64 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3mux h TYR 58 CO 0.05 0.32 0.14 0.78 -1.05 0.00 0.00 178.16 178.39 3mux h GLY 59 N 0.54 0.48 1.99 3.88 0.00 -1.71 -1.08 103.07 107.17 3mux h GLY 59 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3mux h GLY 59 CO -0.03 0.21 -0.01 0.07 0.00 0.00 0.00 176.54 176.78 3mux h LYS 60 N 0.45 0.02 0.00 4.80 5.09 -1.03 0.12 116.57 126.02 3mux h LYS 60 Ca 0.11 -0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.57 3mux h LYS 60 Cb 0.08 -0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.36 3mux h LYS 60 CO -0.01 0.03 -1.71 0.39 -2.09 0.00 0.00 179.45 176.05 3mux n GLU 61 N -4.52 0.63 -2.25 0.07 -0.58 -0.45 -4.48 120.64 109.07 3mux n GLU 61 Ca -0.03 0.28 -0.19 0.00 -0.42 0.00 0.00 57.16 56.81 3mux n GLU 61 Cb 0.10 -1.79 0.03 0.00 -0.57 0.00 0.00 31.44 29.21 3mux n GLU 61 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3mux n ILE 62 N -3.02 2.21 -3.16 -3.67 -5.35 -0.97 -4.96 119.36 100.44 3mux n ILE 62 Ca -0.17 -3.97 -0.23 0.00 -0.27 0.00 0.00 62.75 58.11 3mux n ILE 62 Cb 1.04 -0.58 0.02 0.00 -1.74 0.00 0.00 39.64 38.38 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 -0.65 -5.35 -1.97 7.28 2.03 -1.01 -1.00 116.55 115.88 3mux n ASP 63 Ca 0.35 -0.33 -0.19 0.00 0.52 0.00 0.00 54.79 55.14 3mux n ASP 63 Cb 0.91 -4.34 -0.05 0.00 -0.72 0.00 0.00 41.12 36.92 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 -2.47 -5.22 -2.22 1.67 8.00 0.37 -4.87 116.55 111.81 3mux n ASP 64 Ca -0.08 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.51 3mux n ASP 64 Cb 0.59 -4.51 -0.14 0.00 -0.02 0.00 0.00 41.12 37.05 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 -0.40 6.52 -2.78 2.24 0.00 -0.17 -2.43 120.51 123.48 3mux n ALA 65 Ca -0.21 -2.20 -0.36 0.00 0.00 0.00 0.00 53.44 50.67 3mux n ALA 65 Cb 0.65 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 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 0.65 5.41 -0.32 0.00 1.01 -1.26 -0.92 120.40 124.97 3mux s VAL 66 Ca 0.66 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.86 3mux s VAL 66 Cb 0.31 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3mux s VAL 66 CO -0.04 0.54 0.13 -0.55 0.00 0.00 0.00 175.10 175.18 3mux s SER 67 N -0.45 5.40 -0.21 3.32 0.15 0.53 -1.28 113.70 121.17 3mux s SER 67 Ca 0.14 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 55.73 3mux s SER 67 Cb -0.12 -1.94 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 3mux s SER 67 CO 0.03 -0.25 1.18 -0.63 1.20 0.00 0.00 173.24 174.78 3mux s ILE 68 N 1.53 4.41 0.01 6.45 1.01 0.09 -1.19 121.20 133.51 3mux s ILE 68 Ca 0.02 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.37 3mux s ILE 68 Cb -0.18 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3mux s ILE 68 CO 0.04 -0.19 0.07 -0.83 0.00 0.00 0.00 174.94 174.03 3mux s GLY 69 N 1.77 2.00 0.08 6.18 0.00 -0.02 -0.99 107.32 116.33 3mux s GLY 69 Ca 0.51 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 3mux s GLY 69 CO 0.12 -0.80 1.19 1.41 0.00 0.00 0.00 173.10 175.02 3mux h LEU 70 N 4.00 0.80 -0.15 0.66 3.38 -1.88 -1.32 115.31 120.79 3mux h LEU 70 Ca -0.49 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 56.80 3mux h LEU 70 Cb 1.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3mux h LEU 70 CO 0.62 1.48 0.00 0.61 0.09 0.00 0.00 178.44 181.25 3mux n GLY 71 N 1.16 -0.04 3.46 0.83 0.00 -1.26 -4.45 105.19 104.88 3mux n GLY 71 Ca -0.11 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 0.70 -1.11 -1.27 4.61 0.00 -1.26 -1.37 120.51 120.82 3mux n ALA 72 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 3mux n ALA 72 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 19.45 15.81 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 -1.42 1.03 3.61 0.00 0.00 -1.26 -4.91 105.19 102.24 3mux n GLY 73 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.24 3.41 0.06 1.61 2.03 -0.47 -4.84 116.55 118.12 3mux n ASP 74 Ca -0.09 0.32 0.10 0.00 0.52 0.00 0.00 54.79 55.63 3mux n ASP 74 Cb 0.39 -1.55 0.41 0.00 -0.72 0.00 0.00 41.12 39.65 3mux n ASP 74 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3mux n ASN 75 N 11.03 0.34 0.21 1.67 0.23 -1.26 -1.73 115.26 125.74 3mux n ASN 75 Ca 0.28 0.58 0.15 0.00 -0.53 0.00 0.00 54.58 55.06 3mux n ASN 75 Cb 0.44 -0.65 0.65 0.00 -2.08 0.00 0.00 39.78 38.14 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 -0.03 -3.83 3.08 -1.96 -2.45 114.38 109.19 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3mux h ARG 76 CO 0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 3mux n GLN 77 N -2.64 2.28 -0.09 0.04 1.13 -0.71 -4.60 117.38 112.80 3mux n GLN 77 Ca 0.01 -1.86 -0.07 0.00 -1.94 0.00 0.00 57.00 53.14 3mux n GLN 77 Cb 0.22 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 4.68 0.39 -0.19 -1.58 0.00 -1.56 -0.61 119.26 120.40 3mux h ALA 78 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3mux h ALA 78 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3mux h ALA 78 CO 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 179.25 178.78 3mux h ALA 79 N 1.18 1.26 -0.31 0.00 0.00 -1.81 -1.35 119.26 118.23 3mux h ALA 79 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3mux h ALA 79 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mux h ALA 79 CO -0.11 0.49 0.05 0.28 0.00 0.00 0.00 179.25 179.96 3mux h VAL 80 N 0.30 1.23 -0.63 0.00 2.07 -1.68 -1.27 116.25 116.27 3mux h VAL 80 Ca 0.05 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3mux h VAL 80 Cb 0.59 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3mux h VAL 80 CO 0.04 0.26 0.32 0.58 0.02 0.00 0.00 177.57 178.79 3mux h VAL 81 N 0.34 1.21 -0.94 2.57 2.07 -0.95 -0.00 116.25 120.55 3mux h VAL 81 Ca 0.09 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3mux h VAL 81 Cb 0.34 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3mux h VAL 81 CO 0.01 0.24 0.62 0.00 0.02 0.00 0.00 177.57 178.46 3mux h ALA 82 N 1.15 1.33 -0.41 1.67 0.00 -1.06 -2.23 119.26 119.71 3mux h ALA 82 Ca 0.22 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3mux h ALA 82 Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3mux h ALA 82 CO -0.03 0.62 -0.17 1.49 0.00 0.00 0.00 179.25 181.16 3mux h GLU 83 N 1.27 0.83 -0.92 0.00 4.57 -0.66 -3.03 114.58 116.64 3mux h GLU 83 Ca 0.35 -0.35 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3mux h GLU 83 Cb -0.14 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.36 3mux h GLU 83 CO -0.08 0.98 0.60 0.82 -1.18 0.00 0.00 179.01 180.15 3mux h ILE 84 N 0.64 1.05 -0.07 2.32 2.04 -0.61 -1.81 117.51 121.08 3mux h ILE 84 Ca 0.09 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3mux h ILE 84 Cb 0.72 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3mux h ILE 84 CO 0.05 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.49 3mux h ALA 85 N 1.51 1.50 0.00 1.87 0.00 -1.28 0.15 119.26 123.01 3mux h ALA 85 Ca 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3mux h ALA 85 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3mux h ALA 85 CO -0.16 -0.13 -0.11 0.87 0.00 0.00 0.00 179.25 179.72 3mux h LYS 86 N 0.00 0.00 0.00 0.00 1.57 -1.39 -3.35 116.57 113.40 3mux h LYS 86 Ca 0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3mux h LYS 86 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3mux h LYS 86 CO -0.00 0.11 -1.35 0.72 -0.57 0.00 0.00 179.45 178.36 3mux n HIS 87 N -4.12 0.00 -3.69 -1.35 8.25 0.38 -4.94 115.22 109.74 3mux n HIS 87 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3mux n HIS 87 Cb 0.19 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.31 -0.63 -0.13 4.41 5.04 -0.33 -5.06 117.35 118.35 3mux s TYR 88 Ca -0.03 1.35 0.19 0.00 -2.44 0.00 0.00 57.07 56.14 3mux s TYR 88 Cb 0.03 0.29 -0.21 0.00 0.35 0.00 0.00 41.96 42.42 3mux s TYR 88 CO 0.26 -0.35 0.54 0.43 -1.34 0.00 0.00 175.55 175.09 3mux n SER 89 N 4.19 0.40 0.00 4.32 7.64 -1.26 -3.96 113.62 124.95 3mux n SER 89 Ca -0.23 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3mux n SER 89 Cb 0.56 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 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 1.44 1.15 0.00 0.23 0.00 -1.26 -4.14 105.19 102.61 3mux n GLY 90 Ca -0.14 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.96 3.16 -3.71 1.61 7.64 -0.40 -4.85 113.62 114.10 3mux n SER 91 Ca 0.00 -0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3mux n SER 91 Cb 0.00 1.36 -0.10 0.00 -1.01 0.00 0.00 64.21 64.47 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 -2.55 -0.53 -0.06 1.43 5.65 -0.95 -2.82 115.29 115.46 3mux s HIS 92 Ca -0.03 1.25 0.01 0.00 0.25 0.00 0.00 55.06 56.54 3mux s HIS 92 Cb 0.05 0.20 0.02 0.00 -1.18 0.00 0.00 32.58 31.67 3mux s HIS 92 CO 0.33 -0.26 -0.08 0.42 -0.65 0.00 0.00 174.74 174.50 3mux s ILE 93 N 0.45 0.82 -0.05 0.89 1.01 0.53 -0.73 121.20 124.13 3mux s ILE 93 Ca -0.02 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.12 3mux s ILE 93 Cb -0.04 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3mux s ILE 93 CO -0.02 0.30 0.73 0.20 0.00 0.00 0.00 174.94 176.15 3mux s ASN 94 N 0.98 7.05 0.04 3.58 0.01 -0.17 -1.35 114.94 125.09 3mux s ASN 94 Ca -0.09 1.26 -0.09 0.00 -0.71 0.00 0.00 52.86 53.22 3mux s ASN 94 Cb -0.15 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3mux s ASN 94 CO 0.00 -0.11 0.20 -1.58 -1.51 0.00 0.00 177.10 174.10 3mux s GLN 95 N 0.70 0.70 0.48 -0.60 2.00 -1.22 -4.44 119.66 117.29 3mux s GLN 95 Ca 0.39 -0.64 -0.17 0.00 -2.00 0.00 0.00 55.36 52.94 3mux s GLN 95 Cb -0.18 0.29 -0.08 0.00 0.80 0.00 0.00 33.01 33.83 3mux s GLN 95 CO 0.20 -0.20 0.96 0.14 -0.50 0.00 0.00 175.29 175.88 3mux s VAL 96 N -2.60 4.52 0.18 1.34 -7.23 -1.26 -0.97 120.40 114.39 3mux s VAL 96 Ca -0.05 1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 61.13 3mux s VAL 96 Cb -0.01 -3.69 0.10 0.00 0.56 0.00 0.00 36.38 33.34 3mux s VAL 96 CO -0.04 -0.58 1.59 0.15 -0.31 0.00 0.00 175.10 175.91 3mux h PHE 97 N 1.19 -0.93 0.00 2.82 3.57 -1.83 -1.34 116.94 120.43 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 1.18 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.41 3mux h PHE 97 CO 0.63 -0.38 0.00 -0.35 -2.23 0.00 0.00 178.31 175.98 3mux n PRO 98 N -5.43 0.04 -0.05 6.41 -0.04 -1.26 -2.68 135.00 132.00 3mux n PRO 98 Ca 0.03 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 3mux n PRO 98 Cb 0.35 -1.56 0.23 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.63 2.68 -0.20 3.54 7.64 -0.51 -4.40 113.62 120.73 3mux n SER 99 Ca 0.04 -1.87 -0.08 0.00 1.01 0.00 0.00 58.87 57.97 3mux n SER 99 Cb 0.24 -0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.40 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 3.96 1.23 -0.55 0.44 2.07 -1.44 -2.27 116.25 119.69 3mux h VAL 100 Ca 0.00 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3mux h VAL 100 Cb 0.85 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3mux h VAL 100 CO 0.00 0.28 0.28 1.23 0.02 0.00 0.00 177.57 179.37 3mux h GLY 101 N 0.78 0.84 1.09 2.17 0.00 -1.82 -0.01 103.07 106.12 3mux h GLY 101 Ca 0.19 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3mux h GLY 101 CO -0.01 0.38 0.26 0.00 0.00 0.00 0.00 176.54 177.17 3mux h ALA 102 N 1.11 1.05 -0.19 3.60 0.00 -1.82 -1.14 119.26 121.86 3mux h ALA 102 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3mux h ALA 102 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3mux h ALA 102 CO -0.03 0.66 0.01 1.15 0.00 0.00 0.00 179.25 181.04 3mux h THR 103 N 1.10 1.25 -0.41 0.00 2.02 -0.86 -0.20 112.91 115.82 3mux h THR 103 Ca 0.25 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3mux h THR 103 Cb 0.26 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3mux h THR 103 CO -0.01 0.26 0.24 -0.09 0.37 0.00 0.00 175.52 176.28 3mux h ARG 104 N 0.10 0.56 -0.68 6.66 9.65 -0.91 -2.53 114.38 127.22 3mux h ARG 104 Ca 0.06 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3mux h ARG 104 Cb 0.38 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3mux h ARG 104 CO 0.01 0.43 0.43 0.00 2.80 0.00 0.00 179.97 183.64 3mux h ALA 105 N 1.10 0.87 0.00 2.80 0.00 -1.04 -2.49 119.26 120.50 3mux h ALA 105 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3mux h ALA 105 Cb 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3mux h ALA 105 CO -0.03 0.23 -0.03 -0.91 0.00 0.00 0.00 179.25 178.51 3mux h ASN 106 N 0.87 0.00 0.47 0.00 2.35 -0.73 -0.72 115.58 117.81 3mux h ASN 106 Ca 0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3mux h ASN 106 Cb -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3mux h ASN 106 CO -0.08 0.03 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.65 3mux h LEU 107 N 0.00 0.00 -0.65 1.61 3.38 -1.03 -3.29 115.31 115.33 3mux h LEU 107 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3mux h LEU 107 Cb 0.26 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.08 3mux h LEU 107 CO 0.00 0.01 -0.69 0.61 0.09 0.00 0.00 178.44 178.46 3mux n GLY 108 N -0.57 -0.53 2.00 0.83 0.00 -0.28 -1.97 105.19 104.67 3mux n GLY 108 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.95 3.76 -0.02 0.00 -1.26 -5.04 105.19 102.75 3mux n GLY 109 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3mux n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mux s LYS 110 N -0.33 3.43 -0.08 1.61 0.00 -0.83 -4.96 119.74 118.57 3mux s LYS 110 Ca 0.00 1.96 -0.30 0.00 0.00 0.00 0.00 55.97 57.64 3mux s LYS 110 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 37.83 35.50 3mux s LYS 110 CO 0.00 -0.87 1.19 0.34 0.00 0.00 0.00 175.35 176.01 3mux s ASP 111 N -1.22 7.05 0.24 0.03 2.15 -1.26 -4.90 116.67 118.76 3mux s ASP 111 Ca 0.68 1.76 -0.22 0.00 0.43 0.00 0.00 52.55 55.21 3mux s ASP 111 Cb -0.33 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.77 3mux s ASP 111 CO 0.40 -0.60 0.71 -0.55 -0.17 0.00 0.00 175.17 174.95 3mux s SER 112 N 1.50 -0.33 -0.14 -0.34 0.15 -1.26 -4.88 113.70 108.39 3mux s SER 112 Ca 0.55 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 3mux s SER 112 Cb -0.23 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 3mux s SER 112 CO 0.20 -1.22 -0.11 0.86 1.20 0.00 0.00 173.24 174.17 3mux s TRP 113 N -3.83 2.86 -0.13 3.44 -0.11 -1.13 -5.02 118.94 115.02 3mux s TRP 113 Ca 0.09 -0.64 0.02 0.00 1.22 0.00 0.00 56.10 56.79 3mux s TRP 113 Cb -0.04 -1.89 0.01 0.00 -1.50 0.00 0.00 33.47 30.05 3mux s TRP 113 CO 0.02 -0.23 -0.20 0.42 -4.62 0.00 0.00 176.95 172.34 3mux s ILE 114 N 0.48 1.89 0.58 5.86 1.01 -1.26 -0.35 121.20 129.41 3mux s ILE 114 Ca -0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 3mux s ILE 114 Cb -0.15 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.65 3mux s ILE 114 CO 0.04 0.52 0.85 0.54 0.00 0.00 0.00 174.94 176.89 3mux s ASN 115 N 0.90 5.43 -0.11 3.58 2.20 -0.45 -0.28 114.94 126.20 3mux s ASN 115 Ca -0.06 0.44 -0.01 0.00 -0.94 0.00 0.00 52.86 52.30 3mux s ASN 115 Cb -0.15 -1.40 0.03 0.00 -2.00 0.00 0.00 41.25 37.73 3mux s ASN 115 CO -0.03 -1.11 -0.06 -0.55 -2.94 0.00 0.00 177.10 172.42 3mux s SER 116 N -4.35 2.17 -0.20 3.54 0.15 -0.77 -3.37 113.70 110.87 3mux s SER 116 Ca 0.55 -0.32 -0.29 0.00 0.70 0.00 0.00 55.95 56.58 3mux s SER 116 Cb -0.10 -0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 3mux s SER 116 CO 0.42 -0.14 1.37 -0.22 1.20 0.00 0.00 173.24 175.87 3mux s LEU 117 N 1.75 4.07 0.08 3.45 0.20 -0.14 -0.71 118.68 127.37 3mux s LEU 117 Ca 0.04 1.60 0.04 0.00 0.69 0.00 0.00 54.13 56.51 3mux s LEU 117 Cb -0.13 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 3mux s LEU 117 CO -0.08 -0.94 -0.12 0.68 -0.29 0.00 0.00 176.35 175.60 3mux s VAL 118 N 4.05 0.98 0.15 1.68 -7.23 -0.61 -3.33 120.40 116.09 3mux s VAL 118 Ca 0.60 -1.41 0.10 0.00 -1.81 0.00 0.00 61.98 59.45 3mux s VAL 118 Cb -0.22 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3mux s VAL 118 CO 0.21 -0.38 -0.23 -0.44 -0.31 0.00 0.00 175.10 173.95 3mux s SER 119 N -2.01 3.02 0.74 4.85 0.01 -0.49 -2.17 113.70 117.66 3mux s SER 119 Ca 0.00 -0.79 -0.15 0.00 1.31 0.00 0.00 55.95 56.31 3mux s SER 119 Cb -0.07 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 65.99 3mux s SER 119 CO 0.01 0.09 1.08 -2.65 0.41 0.00 0.00 173.24 172.18 3mux n PRO 120 N 0.64 0.50 0.00 12.44 -0.02 -1.26 -1.27 135.00 146.02 3mux n PRO 120 Ca -0.16 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3mux n PRO 120 Cb 0.55 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.66 0.00 -0.99 3.45 -2.24 -1.26 -4.70 114.28 105.88 3mux n THR 121 Ca 0.14 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3mux n THR 121 Cb 0.50 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.83 0.53 2.89 3.38 0.00 -1.26 -5.01 105.19 106.55 3mux n GLY 122 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.22 1.33 0.14 1.61 2.20 -1.26 -5.10 119.74 118.44 3mux s LYS 123 Ca 0.00 -1.05 -0.32 0.00 -0.36 0.00 0.00 55.97 54.23 3mux s LYS 123 Cb 0.00 -2.50 -0.12 0.00 -1.51 0.00 0.00 37.83 33.70 3mux s LYS 123 CO 0.00 -0.72 1.74 0.28 -0.36 0.00 0.00 175.35 176.30 3mux n VAL 124 N 4.69 0.18 0.00 4.02 0.31 -1.26 -2.00 118.33 124.28 3mux n VAL 124 Ca -0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3mux n VAL 124 Cb 0.44 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 3.96 0.42 3.05 2.92 0.00 -1.26 -5.07 105.19 109.22 3mux n GLY 125 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.89 0.16 1.61 2.02 -0.84 -1.63 117.35 117.56 3mux s TYR 126 Ca 0.00 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.55 3mux s TYR 126 Cb 0.00 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 3mux s TYR 126 CO 0.00 -0.01 -0.17 0.14 -1.57 0.00 0.00 175.55 173.94 3mux s VAL 127 N -0.46 1.71 -0.33 0.71 -7.23 -0.03 -4.32 120.40 110.45 3mux s VAL 127 Ca 0.02 -1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 3mux s VAL 127 Cb -0.05 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 3mux s VAL 127 CO 0.00 -0.38 0.46 0.21 -0.31 0.00 0.00 175.10 175.08 3mux s ASN 128 N -2.73 6.29 0.00 4.85 2.47 -0.40 -1.11 114.94 124.31 3mux s ASN 128 Ca 0.15 0.04 0.24 0.00 0.42 0.00 0.00 52.86 53.71 3mux s ASN 128 Cb -0.05 -2.25 0.18 0.00 -1.45 0.00 0.00 41.25 37.69 3mux s ASN 128 CO 0.06 -0.38 1.25 2.30 -3.72 0.00 0.00 177.10 176.61 3mux n ILE 129 N 5.31 0.00 -1.74 -5.21 -5.35 -0.63 -1.40 119.36 110.34 3mux n ILE 129 Ca -0.06 -0.48 -0.40 0.00 -0.27 0.00 0.00 62.75 61.53 3mux n ILE 129 Cb 0.49 1.48 -0.01 0.00 -1.74 0.00 0.00 39.64 39.86 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 1.25 7.09 -0.60 7.28 7.64 -1.26 -4.58 113.62 130.44 3mux n SER 130 Ca 0.14 -2.87 0.06 0.00 1.01 0.00 0.00 58.87 57.21 3mux n SER 130 Cb 0.59 -1.51 0.16 0.00 -1.01 0.00 0.00 64.21 62.44 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 3.30 1.27 -2.39 0.44 -2.24 -1.26 -2.71 114.28 110.69 3mux n THR 131 Ca 0.63 -1.20 -0.25 0.00 -2.27 0.00 0.00 64.05 60.96 3mux n THR 131 Cb 0.28 0.34 0.12 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.22 1.76 0.10 3.38 0.00 -1.26 -4.68 107.32 105.40 3mux s GLY 132 Ca 0.24 -1.53 -0.26 0.00 0.00 0.00 0.00 44.72 43.18 3mux s GLY 132 CO 0.12 -0.92 1.68 -2.55 0.00 0.00 0.00 173.10 171.43 3mux h PRO 133 N -0.82 -0.33 0.05 2.90 0.11 -1.94 0.10 132.00 132.08 3mux h PRO 133 Ca -0.39 0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.48 3mux h PRO 133 Cb 1.26 0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.47 3mux h PRO 133 CO 0.41 -0.22 -1.03 0.82 -0.21 0.00 0.00 178.00 177.77 3mux h ILE 134 N -0.34 1.31 -0.43 4.15 2.04 -1.97 -3.20 117.51 119.07 3mux h ILE 134 Ca 0.01 -2.30 -0.06 0.00 1.00 0.00 0.00 64.86 63.51 3mux h ILE 134 Cb 0.34 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3mux h ILE 134 CO -0.06 0.70 0.03 0.77 0.00 0.00 0.00 178.15 179.59 3mux h SER 135 N 0.24 0.64 0.95 1.72 4.64 -1.83 -2.26 113.55 117.64 3mux h SER 135 Ca -0.14 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3mux h SER 135 Cb 1.71 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3mux h SER 135 CO 0.20 0.69 -0.08 0.00 -0.87 0.00 0.00 176.83 176.77 3mux h ALA 136 N 1.39 1.02 -0.01 5.18 0.00 -0.58 -2.64 119.26 123.63 3mux h ALA 136 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mux h ALA 136 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mux h ALA 136 CO 0.01 0.09 -0.22 0.00 0.00 0.00 0.00 179.25 179.13 3mux n ALA 137 N -2.14 3.01 -1.34 0.00 0.00 -0.87 -4.98 120.51 114.18 3mux n ALA 137 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 3mux n ALA 137 Cb 0.34 -1.16 0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.47 1.93 0.42 0.00 0.00 -1.00 -4.95 107.32 101.26 3mux s GLY 138 Ca 0.26 0.45 0.22 0.00 0.00 0.00 0.00 44.72 45.64 3mux s GLY 138 CO 0.50 0.80 1.83 0.83 0.00 0.00 0.00 173.10 177.07 3mux h GLU 139 N -0.62 0.00 -5.37 2.90 5.08 -1.94 -3.42 114.58 111.21 3mux h GLU 139 Ca -0.45 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.49 3mux h GLU 139 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.29 3mux h GLU 139 CO 0.52 0.28 -0.78 -1.21 -1.00 0.00 0.00 179.01 176.82 3mux s GLU 140 N -3.77 0.87 0.19 2.33 2.02 -1.26 -5.15 118.70 113.92 3mux s GLU 140 Ca -0.01 -1.02 0.06 0.00 0.02 0.00 0.00 54.97 54.03 3mux s GLU 140 Cb 0.11 -0.85 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 3mux s GLU 140 CO 0.65 0.18 0.12 0.15 0.02 0.00 0.00 175.26 176.38 3mux s LYS 141 N -1.95 2.78 -0.71 1.61 -0.14 -1.26 -5.04 119.74 115.03 3mux s LYS 141 Ca 0.00 -0.98 -0.25 0.00 -1.36 0.00 0.00 55.97 53.38 3mux s LYS 141 Cb -0.09 -2.55 0.04 0.00 -1.68 0.00 0.00 37.83 33.55 3mux s LYS 141 CO 0.02 0.46 1.17 0.00 -0.76 0.00 0.00 175.35 176.24 3mux s ALA 142 N -1.85 2.88 -0.37 5.17 0.00 -1.26 -4.98 121.76 121.36 3mux s ALA 142 Ca 0.31 -1.52 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 3mux s ALA 142 Cb -0.09 -4.11 0.04 0.00 0.00 0.00 0.00 23.12 18.96 3mux s ALA 142 CO 0.23 -3.09 0.16 0.42 0.00 0.00 0.00 175.76 173.48 3mux s ILE 143 N 5.13 4.09 0.14 0.00 1.01 -1.26 -1.61 121.20 128.70 3mux s ILE 143 Ca 0.31 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3mux s ILE 143 Cb -0.11 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3mux s ILE 143 CO 0.14 -0.27 -0.12 0.68 0.00 0.00 0.00 174.94 175.37 3mux s VAL 144 N 1.45 1.28 0.46 2.92 -7.23 -0.27 -4.89 120.40 114.11 3mux s VAL 144 Ca 0.00 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.03 3mux s VAL 144 Cb -0.20 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.97 3mux s VAL 144 CO 0.04 -0.58 1.43 -2.65 -0.31 0.00 0.00 175.10 173.03 3mux n PRO 145 N 0.15 2.20 -0.22 4.82 -0.02 -1.26 -0.85 135.00 139.82 3mux n PRO 145 Ca -0.13 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 3mux n PRO 145 Cb 0.59 -2.63 0.13 0.00 -0.02 0.00 0.00 33.50 31.57 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 2.21 0.72 -0.01 4.25 2.04 -1.66 -1.09 117.51 123.96 3mux h ILE 146 Ca -0.51 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3mux h ILE 146 Cb 1.27 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3mux h ILE 146 CO 0.61 0.07 -0.29 0.11 0.00 0.00 0.00 178.15 178.64 3mux h LYS 147 N 0.39 0.03 -0.20 2.37 1.57 -1.90 -0.95 116.57 117.88 3mux h LYS 147 Ca 0.33 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.97 3mux h LYS 147 Cb 0.45 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3mux h LYS 147 CO -0.35 0.32 -0.44 1.79 -0.57 0.00 0.00 179.45 180.21 3mux h THR 148 N 0.02 1.31 -0.51 -0.16 1.35 -1.58 -1.45 112.91 111.90 3mux h THR 148 Ca 0.00 -1.62 -0.06 0.00 -0.55 0.00 0.00 66.41 64.19 3mux h THR 148 Cb 0.54 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 3mux h THR 148 CO 0.04 0.50 0.08 0.00 -0.25 0.00 0.00 175.52 175.89 3mux h ALA 149 N 1.13 0.67 -0.28 6.62 0.00 -0.76 -2.33 119.26 124.31 3mux h ALA 149 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3mux h ALA 149 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mux h ALA 149 CO 0.08 0.41 0.19 0.82 0.00 0.00 0.00 179.25 180.74 3mux h ILE 150 N 0.72 1.08 -0.92 0.00 2.04 -1.01 0.20 117.51 119.62 3mux h ILE 150 Ca 0.15 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3mux h ILE 150 Cb 0.40 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3mux h ILE 150 CO 0.01 0.07 0.55 0.00 0.00 0.00 0.00 178.15 178.78 3mux h ALA 151 N 1.10 1.24 -0.54 1.87 0.00 -1.20 0.26 119.26 121.99 3mux h ALA 151 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mux h ALA 151 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3mux h ALA 151 CO -0.02 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.95 3mux h LEU 152 N 1.26 0.81 -0.69 0.00 3.38 -0.95 -1.38 115.31 117.75 3mux h LEU 152 Ca 0.33 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3mux h LEU 152 Cb -0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3mux h LEU 152 CO -0.06 0.83 0.46 0.58 0.09 0.00 0.00 178.44 180.33 3mux h VAL 153 N 0.76 1.18 -0.56 1.22 2.07 -0.27 -2.21 116.25 118.45 3mux h VAL 153 Ca 0.17 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3mux h VAL 153 Cb 0.33 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3mux h VAL 153 CO 0.00 0.17 0.35 0.03 0.02 0.00 0.00 177.57 178.15 3mux h ARG 154 N 0.94 0.69 -1.91 1.57 3.08 -0.72 -0.85 114.38 117.18 3mux h ARG 154 Ca 0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3mux h ARG 154 Cb -0.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.79 3mux h ARG 154 CO -0.05 0.46 0.00 -0.25 -1.07 0.00 0.00 179.97 179.05 3mux n ASP 155 N -4.73 0.74 -0.30 7.04 8.00 -0.54 -4.31 116.55 122.45 3mux n ASP 155 Ca 0.04 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3mux n ASP 155 Cb 0.05 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.42 -0.19 3.95 0.44 0.00 -0.72 -5.04 105.19 105.06 3mux n GLY 157 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.62 -0.00 -0.02 0.00 -0.41 -4.75 107.32 103.40 3mux s GLY 158 Ca 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.68 3mux s GLY 158 CO 0.00 -0.88 0.17 0.70 0.00 0.00 0.00 173.10 173.09 3mux n ASN 159 N -2.18 0.93 -3.66 1.64 3.02 0.61 -4.36 115.26 111.27 3mux n ASN 159 Ca 0.03 -0.49 -0.08 0.00 -0.03 0.00 0.00 54.58 54.02 3mux n ASN 159 Cb 0.58 1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 40.77 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 -1.63 -0.34 -0.19 6.41 1.04 -1.24 -3.74 113.70 114.02 3mux s SER 160 Ca 0.01 -0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 3mux s SER 160 Cb 0.03 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3mux s SER 160 CO 0.18 -1.02 0.33 -0.76 0.98 0.00 0.00 173.24 172.95 3mux s LEU 161 N -2.81 4.18 -0.41 2.42 1.43 -0.85 -1.85 118.68 120.79 3mux s LEU 161 Ca 0.08 0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 3mux s LEU 161 Cb -0.03 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.80 3mux s LEU 161 CO -0.02 0.01 0.54 -0.75 0.23 0.00 0.00 176.35 176.36 3mux s LYS 162 N 0.95 3.28 -0.45 1.70 2.20 0.11 -0.54 119.74 126.99 3mux s LYS 162 Ca 0.17 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 55.13 3mux s LYS 162 Cb -0.14 -3.93 0.04 0.00 -1.51 0.00 0.00 37.83 32.30 3mux s LYS 162 CO 0.06 -0.87 0.48 -0.47 -0.36 0.00 0.00 175.35 174.19 3mux s TYR 163 N 2.48 3.15 -0.20 4.03 5.04 -0.70 -1.57 117.35 129.58 3mux s TYR 163 Ca 0.18 -0.52 -0.22 0.00 -2.44 0.00 0.00 57.07 54.08 3mux s TYR 163 Cb -0.15 -3.13 0.06 0.00 0.35 0.00 0.00 41.96 39.09 3mux s TYR 163 CO 0.16 -0.81 0.59 0.12 -1.34 0.00 0.00 175.55 174.27 3mux s PHE 164 N 2.19 -0.64 0.00 4.97 5.36 -0.92 -1.88 117.98 127.06 3mux s PHE 164 Ca 0.12 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 3mux s PHE 164 Cb -0.19 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.73 3mux s PHE 164 CO 0.12 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.18 3mux n PRO 165 N 2.50 0.59 0.00 10.12 -0.04 -1.26 -3.97 135.00 142.94 3mux n PRO 165 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3mux n PRO 165 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.96 0.00 0.00 0.54 5.02 -1.03 -4.71 118.16 117.02 3mux n LYS 167 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3mux n LYS 167 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 2.08 1.08 0.72 0.00 0.16 -2.16 105.19 107.06 3mux n GLY 168 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 3.88 0.27 0.99 4.77 -1.26 -4.59 117.00 121.06 3mux n LEU 169 Ca 0.00 -2.40 0.13 0.00 -0.03 0.00 0.00 56.01 53.71 3mux n LEU 169 Cb 0.00 -0.45 0.78 0.00 -2.33 0.00 0.00 43.42 41.42 3mux n LEU 169 CO 0.00 0.76 1.02 0.00 -1.33 0.00 0.00 177.39 177.84 3mux h ALA 170 N 2.84 1.37 -0.72 -1.18 0.00 -1.85 -2.37 119.26 117.34 3mux h ALA 170 Ca 0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 3mux h ALA 170 Cb 1.18 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.55 3mux h ALA 170 CO 0.14 0.11 -0.76 0.72 0.00 0.00 0.00 179.25 179.46 3mux n HIS 171 N -3.72 2.64 -0.14 0.00 8.25 -1.26 -4.89 115.22 116.09 3mux n HIS 171 Ca -0.02 -2.21 -0.05 0.00 -0.26 0.00 0.00 57.72 55.18 3mux n HIS 171 Cb 0.19 -0.37 0.04 0.00 1.12 0.00 0.00 29.99 30.97 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 2.12 0.37 -0.70 -0.41 4.81 -1.74 0.47 114.58 119.50 3mux h GLU 172 Ca 0.36 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3mux h GLU 172 Cb 1.50 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 3mux h GLU 172 CO 0.75 0.24 0.17 0.93 -0.73 0.00 0.00 179.01 180.38 3mux h GLU 173 N 0.38 1.13 -0.58 1.92 5.08 -1.90 -0.16 114.58 120.45 3mux h GLU 173 Ca 0.20 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3mux h GLU 173 Cb 0.15 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3mux h GLU 173 CO -0.17 0.99 0.26 0.93 -1.00 0.00 0.00 179.01 180.02 3mux h GLU 174 N 1.06 0.84 -0.59 2.33 5.08 -1.85 -2.62 114.58 118.84 3mux h GLU 174 Ca 0.22 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3mux h GLU 174 Cb 0.37 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3mux h GLU 174 CO 0.00 0.70 0.22 -0.92 -1.00 0.00 0.00 179.01 178.02 3mux h TYR 175 N 0.79 0.91 -0.67 4.33 3.20 -0.45 -1.46 116.97 123.62 3mux h TYR 175 Ca 0.20 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.09 3mux h TYR 175 Cb 0.15 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 3mux h TYR 175 CO 0.00 0.74 0.29 0.00 -1.64 0.00 0.00 178.16 177.55 3mux h ARG 176 N 0.82 0.47 -0.48 1.82 3.08 -0.90 0.18 114.38 119.37 3mux h ARG 176 Ca 0.20 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3mux h ARG 176 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3mux h ARG 176 CO -0.01 0.31 -0.07 0.00 -1.07 0.00 0.00 179.97 179.13 3mux h ALA 177 N 1.44 0.97 -0.55 0.04 0.00 -1.07 -1.19 119.26 118.91 3mux h ALA 177 Ca 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mux h ALA 177 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mux h ALA 177 CO -0.30 0.62 0.22 0.28 0.00 0.00 0.00 179.25 180.06 3mux h VAL 178 N 0.78 1.22 -0.42 0.00 2.07 -0.49 -1.23 116.25 118.18 3mux h VAL 178 Ca 0.14 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3mux h VAL 178 Cb 0.56 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3mux h VAL 178 CO 0.03 0.26 0.19 0.00 0.02 0.00 0.00 177.57 178.07 3mux h ALA 179 N 1.07 0.55 -0.93 1.67 0.00 -0.71 -0.48 119.26 120.42 3mux h ALA 179 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mux h ALA 179 Cb 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3mux h ALA 179 CO -0.01 0.13 0.60 0.87 0.00 0.00 0.00 179.25 180.83 3mux h LYS 180 N 0.54 1.24 -0.58 0.00 1.57 -1.05 -0.96 116.57 117.34 3mux h LYS 180 Ca 0.14 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3mux h LYS 180 Cb 0.16 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3mux h LYS 180 CO -0.01 0.84 0.03 0.00 -0.57 0.00 0.00 179.45 179.73 3mux h ALA 181 N 1.33 0.77 -0.84 3.86 0.00 -0.81 -1.16 119.26 122.41 3mux h ALA 181 Ca 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3mux h ALA 181 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3mux h ALA 181 CO -0.07 0.58 0.44 0.00 0.00 0.00 0.00 179.25 180.20 3mux h ALA 183 N 1.30 0.76 -0.75 0.00 0.00 -0.84 -0.11 119.26 119.61 3mux h ALA 183 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3mux h ALA 183 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3mux h ALA 183 CO -0.04 0.60 0.33 0.93 0.00 0.00 0.00 179.25 181.06 3mux h GLU 184 N 0.88 1.10 -0.01 0.00 5.08 -0.82 -2.72 114.58 118.09 3mux h GLU 184 Ca 0.16 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3mux h GLU 184 Cb 0.56 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3mux h GLU 184 CO 0.03 0.87 -0.11 0.39 -1.00 0.00 0.00 179.01 179.18 3mux n GLU 185 N -4.30 1.01 -2.93 2.33 -0.58 -0.43 -4.94 120.64 110.80 3mux n GLU 185 Ca 0.07 -0.48 -0.19 0.00 -0.42 0.00 0.00 57.16 56.15 3mux n GLU 185 Cb 0.16 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.24 -0.32 3.54 0.62 0.00 -0.23 -5.01 105.19 105.03 3mux n GLY 186 Ca 0.16 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.09 2.51 0.42 1.61 5.36 -0.22 -4.99 117.98 119.57 3mux s PHE 187 Ca 0.27 -0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 55.95 3mux s PHE 187 Cb -0.12 -1.17 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 3mux s PHE 187 CO 0.34 0.58 0.67 0.00 -1.46 0.00 0.00 175.22 175.35 3mux s ALA 188 N -2.01 3.57 -0.02 11.12 0.00 -1.25 -4.49 121.76 128.69 3mux s ALA 188 Ca 0.27 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3mux s ALA 188 Cb -0.07 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.74 3mux s ALA 188 CO 0.15 -0.23 -0.01 -1.17 0.00 0.00 0.00 175.76 174.50 3mux s LEU 189 N -4.55 1.54 -0.50 0.00 2.96 -0.92 -2.01 118.68 115.20 3mux s LEU 189 Ca 0.45 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3mux s LEU 189 Cb -0.10 -0.16 0.14 0.00 0.50 0.00 0.00 46.19 46.57 3mux s LEU 189 CO 0.40 -0.04 0.29 -1.61 -1.32 0.00 0.00 176.35 174.07 3mux s GLU 190 N 0.54 1.65 0.18 1.98 2.02 0.29 -1.38 118.70 123.98 3mux s GLU 190 Ca -0.05 -2.40 -0.30 0.00 0.02 0.00 0.00 54.97 52.23 3mux s GLU 190 Cb -0.08 -2.74 -0.08 0.00 0.10 0.00 0.00 34.13 31.33 3mux s GLU 190 CO -0.01 -1.18 1.27 -1.25 0.02 0.00 0.00 175.26 174.11 3mux s PRO 191 N -0.13 4.42 -0.09 0.39 0.04 -1.24 -1.72 135.00 136.66 3mux s PRO 191 Ca 0.19 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 63.14 3mux s PRO 191 Cb -0.20 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.14 3mux s PRO 191 CO -0.04 -0.21 0.22 0.99 0.04 0.00 0.00 177.00 178.01 3mux s THR 192 N 0.19 -0.01 0.00 1.26 2.01 -0.79 -1.69 115.64 116.60 3mux s THR 192 Ca 0.56 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.60 3mux s THR 192 Cb -0.35 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 71.84 3mux s THR 192 CO 0.37 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3mux n GLY 193 N 3.26 2.36 2.27 4.40 0.00 -1.26 -4.27 105.19 111.94 3mux n GLY 193 Ca -0.16 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 0.47 0.98 3.72 -0.02 0.00 -1.26 -0.67 105.19 108.41 3mux n GLY 194 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.37 4.89 0.36 -0.61 1.01 -1.26 -3.77 121.20 119.44 3mux s ILE 195 Ca 0.00 1.83 0.07 0.00 0.00 0.00 0.00 60.65 62.54 3mux s ILE 195 Cb 0.00 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3mux s ILE 195 CO 0.00 0.22 0.24 -0.90 0.00 0.00 0.00 174.94 174.50 3mux n ASP 196 N 3.68 -0.09 0.25 3.58 5.68 -1.26 -4.54 116.55 123.84 3mux n ASP 196 Ca 0.03 -3.20 0.08 0.00 -0.50 0.00 0.00 54.79 51.21 3mux n ASP 196 Cb 0.51 1.48 0.62 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 0.00 0.11 1.57 -1.96 -1.14 116.57 115.15 3mux h LYS 197 Ca -0.26 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 3mux h LYS 197 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3mux h LYS 197 CO 0.40 0.13 -0.87 0.93 -0.57 0.00 0.00 179.45 179.46 3mux h GLU 198 N 0.00 0.00 -0.01 3.15 5.08 -1.99 -3.35 114.58 117.46 3mux h GLU 198 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mux h GLU 198 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3mux h GLU 198 CO 0.02 0.42 -0.29 0.27 -1.00 0.00 0.00 179.01 178.42 3mux n ASN 199 N -3.08 1.73 -0.13 1.42 0.23 -1.09 -4.68 115.26 109.66 3mux n ASN 199 Ca -0.02 -1.36 -0.07 0.00 -0.53 0.00 0.00 54.58 52.59 3mux n ASN 199 Cb 0.77 0.41 0.01 0.00 -2.08 0.00 0.00 39.78 38.89 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 1.99 0.46 -0.61 -2.53 3.57 -1.34 -1.61 116.94 116.86 3mux h PHE 200 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3mux h PHE 200 Cb 0.57 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3mux h PHE 200 CO 0.00 0.27 0.32 1.49 -2.23 0.00 0.00 178.31 178.16 3mux h GLU 201 N 0.49 0.86 -0.40 1.11 4.81 -1.83 -0.53 114.58 119.09 3mux h GLU 201 Ca 0.16 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3mux h GLU 201 Cb -0.01 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3mux h GLU 201 CO -0.06 0.67 0.19 1.15 -0.73 0.00 0.00 179.01 180.22 3mux h THR 202 N 0.83 1.18 -0.45 0.32 2.02 -1.79 0.14 112.91 115.15 3mux h THR 202 Ca 0.21 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3mux h THR 202 Cb 0.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3mux h THR 202 CO -0.03 0.19 -0.01 0.40 0.37 0.00 0.00 175.52 176.44 3mux h ILE 203 N 0.51 1.26 -0.39 3.11 2.04 -0.99 -1.49 117.51 121.56 3mux h ILE 203 Ca 0.14 -1.06 -0.15 0.00 1.00 0.00 0.00 64.86 64.79 3mux h ILE 203 Cb 0.13 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3mux h ILE 203 CO -0.02 0.37 -0.33 0.25 0.00 0.00 0.00 178.15 178.43 3mux h LEU 204 N 0.65 0.96 -0.97 1.44 5.85 -0.99 -3.03 115.31 119.22 3mux h LEU 204 Ca 0.13 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3mux h LEU 204 Cb 0.51 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3mux h LEU 204 CO 0.02 1.21 0.64 -0.09 -0.34 0.00 0.00 178.44 179.88 3mux h ARG 205 N 0.72 1.25 -0.64 1.25 2.43 -0.54 -1.50 114.38 117.35 3mux h ARG 205 Ca 0.07 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3mux h ARG 205 Cb 0.91 -0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 3mux h ARG 205 CO 0.08 0.83 0.33 0.82 -1.51 0.00 0.00 179.97 180.52 3mux h ILE 206 N 1.28 0.92 -0.32 1.20 2.04 -1.15 0.16 117.51 121.64 3mux h ILE 206 Ca 0.37 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 3mux h ILE 206 Cb -0.10 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3mux h ILE 206 CO -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 178.15 178.13 3mux h ALA 207 N 1.36 0.44 -0.30 1.87 0.00 -1.35 -2.14 119.26 119.12 3mux h ALA 207 Ca 0.30 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3mux h ALA 207 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mux h ALA 207 CO -0.21 0.23 -0.45 -0.07 0.00 0.00 0.00 179.25 178.76 3mux h LEU 208 N 0.38 0.84 -1.54 0.00 3.38 -0.99 -1.98 115.31 115.39 3mux h LEU 208 Ca 0.09 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3mux h LEU 208 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3mux h LEU 208 CO 0.02 1.16 0.35 -0.33 0.09 0.00 0.00 178.44 179.74 3mux h GLU 209 N 0.63 0.57 0.00 1.13 5.08 -0.65 -0.00 114.58 121.34 3mux h GLU 209 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mux h GLU 209 Cb 1.02 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3mux h GLU 209 CO 0.10 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 3mux n ALA 210 N -2.48 2.55 -2.59 3.43 0.00 -0.81 -4.91 120.51 115.71 3mux n ALA 210 Ca 0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 3mux n ALA 210 Cb 0.16 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.13 3mux n ALA 210 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mux n ASN 211 N -1.13 -4.62 -4.70 0.00 4.13 -0.01 -4.70 115.26 104.23 3mux n ASN 211 Ca 0.19 -0.13 -0.42 0.00 1.68 0.00 0.00 54.58 55.90 3mux n ASN 211 Cb 0.16 -3.60 -0.03 0.00 -1.54 0.00 0.00 39.78 34.77 3mux n ASN 211 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3mux s VAL 212 N -2.88 2.92 0.04 2.41 1.01 -0.78 -4.69 120.40 118.43 3mux s VAL 212 Ca 0.13 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.45 3mux s VAL 212 Cb -0.06 -3.34 -0.16 0.00 0.00 0.00 0.00 36.38 32.82 3mux s VAL 212 CO 0.16 0.02 1.27 -0.08 0.00 0.00 0.00 175.10 176.47 3mux h GLU 213 N 7.59 0.46 -4.52 2.72 4.57 -1.90 -3.44 114.58 120.06 3mux h GLU 213 Ca -0.42 -0.32 -0.52 0.00 -1.18 0.00 0.00 59.36 56.91 3mux h GLU 213 Cb 1.20 0.05 -0.34 0.00 -0.16 0.00 0.00 28.75 29.50 3mux h GLU 213 CO 0.92 0.94 -0.82 -0.65 -1.18 0.00 0.00 179.01 178.22 3mux s GLN 214 N -3.91 1.74 -0.04 1.92 -0.21 -1.26 -4.39 119.66 113.51 3mux s GLN 214 Ca -0.13 -0.41 0.04 0.00 0.02 0.00 0.00 55.36 54.87 3mux s GLN 214 Cb 0.05 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.58 3mux s GLN 214 CO 0.80 -0.02 -0.14 0.08 -2.12 0.00 0.00 175.29 173.88 3mux s VAL 215 N 0.85 1.17 -0.46 1.09 1.01 -0.24 -2.16 120.40 121.66 3mux s VAL 215 Ca -0.11 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3mux s VAL 215 Cb -0.15 -1.02 0.13 0.00 0.00 0.00 0.00 36.38 35.34 3mux s VAL 215 CO 0.01 0.35 0.23 -0.63 0.00 0.00 0.00 175.10 175.06 3mux s ILE 216 N 0.12 1.87 0.24 2.22 1.01 -0.48 -2.10 121.20 124.08 3mux s ILE 216 Ca -0.04 -2.77 -0.30 0.00 0.00 0.00 0.00 60.65 57.54 3mux s ILE 216 Cb -0.10 -2.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 3mux s ILE 216 CO 0.02 -0.83 1.13 -2.16 0.00 0.00 0.00 174.94 173.10 3mux s PRO 217 N 0.21 4.58 -0.22 2.79 0.04 -1.23 -3.73 135.00 137.45 3mux s PRO 217 Ca 0.17 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 3mux s PRO 217 Cb -0.24 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 3mux s PRO 217 CO -0.01 0.09 0.12 -1.01 0.04 0.00 0.00 177.00 176.23 3mux s HIS 218 N -0.70 3.31 -0.19 0.56 3.76 -0.68 -1.61 115.29 119.73 3mux s HIS 218 Ca 0.48 0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 55.55 3mux s HIS 218 Cb -0.32 -2.19 0.05 0.00 1.11 0.00 0.00 32.58 31.23 3mux s HIS 218 CO 0.39 0.12 -0.05 0.08 -0.85 0.00 0.00 174.74 174.43 3mux s VAL 219 N 0.74 1.21 0.00 -0.90 1.01 -0.39 -4.50 120.40 117.56 3mux s VAL 219 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3mux s VAL 219 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3mux s VAL 219 CO 0.02 0.03 0.00 -1.22 0.00 0.00 0.00 175.10 173.93 3mux n TYR 220 N 4.82 0.00 0.30 5.22 4.01 -1.26 -4.25 117.16 126.00 3mux n TYR 220 Ca -0.12 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.78 3mux n TYR 220 Cb 0.46 0.00 0.93 0.00 -0.31 0.00 0.00 39.34 40.43 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 0.25 7.72 4.64 -1.95 -2.44 113.55 121.77 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 0.02 0.00 0.77 -0.87 0.00 0.00 176.83 176.75 3mux h SER 222 N 0.00 0.00 -0.04 4.97 4.64 -1.91 -2.11 113.55 119.10 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 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3mux h SER 222 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 3mux n ILE 223 N -2.81 1.72 -4.04 0.95 -5.35 -0.92 -4.84 119.36 104.07 3mux n ILE 223 Ca -0.02 -1.93 -0.35 0.00 -0.27 0.00 0.00 62.75 60.19 3mux n ILE 223 Cb 0.12 -0.07 -0.10 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 -2.43 4.75 -0.09 7.28 1.01 -0.80 -0.65 121.20 130.27 3mux s ILE 224 Ca 0.26 -0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.57 3mux s ILE 224 Cb 0.22 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3mux s ILE 224 CO 0.03 0.48 1.51 -0.62 0.00 0.00 0.00 174.94 176.34 3mux s ASP 225 N 0.25 6.77 0.45 3.58 -1.08 0.60 -4.89 116.67 122.35 3mux s ASP 225 Ca 0.04 2.03 0.13 0.00 -0.52 0.00 0.00 52.55 54.23 3mux s ASP 225 Cb -0.12 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.80 3mux s ASP 225 CO 0.00 -0.86 2.01 0.07 0.52 0.00 0.00 175.17 176.92 3mux h LYS 226 N 9.02 0.10 0.04 4.34 5.09 -1.94 0.10 116.57 133.32 3mux h LYS 226 Ca -0.35 -0.02 -0.12 0.00 0.09 0.00 0.00 60.65 60.26 3mux h LYS 226 Cb 1.15 -0.02 0.01 0.00 0.10 0.00 0.00 32.23 33.47 3mux h LYS 226 CO 0.96 0.20 -0.49 1.05 -2.09 0.00 0.00 179.45 179.08 3mux h GLU 227 N 0.10 0.27 0.00 0.07 -0.00 -1.97 -3.39 114.58 109.66 3mux h GLU 227 Ca 0.02 -0.34 -0.01 0.00 -0.00 0.00 0.00 59.36 59.04 3mux h GLU 227 Cb 0.23 0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.09 3mux h GLU 227 CO 0.01 1.08 -1.84 0.25 -0.00 0.00 0.00 179.01 178.51 3mux n THR 228 N -4.32 0.13 -0.96 -1.06 -2.24 -1.16 -4.98 114.28 99.70 3mux n THR 228 Ca -0.11 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3mux n THR 228 Cb 0.64 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.26 0.88 3.75 3.38 0.00 0.35 -5.03 105.19 109.78 3mux n GLY 229 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.85 7.64 0.17 1.61 0.01 -1.25 -4.39 114.94 115.87 3mux s ASN 230 Ca 0.00 1.94 -0.30 0.00 -0.71 0.00 0.00 52.86 53.78 3mux s ASN 230 Cb 0.00 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 3mux s ASN 230 CO 0.00 0.14 1.35 -0.89 -1.51 0.00 0.00 177.10 176.20 3mux s THR 231 N -1.09 3.19 -0.15 1.60 2.01 -1.26 -0.29 115.64 119.64 3mux s THR 231 Ca 0.41 0.93 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 3mux s THR 231 Cb -0.26 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3mux s THR 231 CO 0.32 0.11 0.88 -0.54 -0.69 0.00 0.00 174.62 174.70 3mux s LYS 232 N 0.33 4.34 0.26 4.92 1.02 0.17 -4.91 119.74 125.86 3mux s LYS 232 Ca 0.60 1.12 0.08 0.00 0.02 0.00 0.00 55.97 57.79 3mux s LYS 232 Cb -0.37 -3.56 0.31 0.00 -0.52 0.00 0.00 37.83 33.69 3mux s LYS 232 CO 0.36 -0.31 1.59 1.79 -0.92 0.00 0.00 175.35 177.86 3mux h THR 233 N 5.15 1.42 -0.92 2.17 1.35 -1.93 -1.85 112.91 118.31 3mux h THR 233 Ca -0.30 -2.08 0.04 0.00 -0.55 0.00 0.00 66.41 63.52 3mux h THR 233 Cb 1.14 2.10 -0.05 0.00 -1.73 0.00 0.00 68.15 69.60 3mux h THR 233 CO 0.84 0.60 0.60 -0.33 -0.25 0.00 0.00 175.52 176.99 3mux h GLU 234 N 0.07 1.11 -0.42 4.72 3.07 -1.99 0.40 114.58 121.53 3mux h GLU 234 Ca -0.01 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.66 3mux h GLU 234 Cb 1.11 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3mux h GLU 234 CO 0.09 0.73 -0.21 -0.44 -1.40 0.00 0.00 179.01 177.78 3mux h ASP 235 N 1.14 0.92 -0.68 1.42 5.19 -1.80 -1.61 116.42 121.00 3mux h ASP 235 Ca 0.37 -0.40 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 3mux h ASP 235 Cb 0.04 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.26 3mux h ASP 235 CO -0.12 1.12 0.36 0.58 -3.12 0.00 0.00 179.24 178.07 3mux h VAL 236 N 0.72 1.21 -0.88 -1.35 2.07 -0.83 -0.51 116.25 116.68 3mux h VAL 236 Ca 0.09 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3mux h VAL 236 Cb 0.77 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3mux h VAL 236 CO 0.06 0.24 0.57 0.03 0.02 0.00 0.00 177.57 178.49 3mux h ARG 237 N 0.93 1.08 -0.50 1.57 3.08 -0.73 -0.27 114.38 119.55 3mux h ARG 237 Ca 0.24 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3mux h ARG 237 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3mux h ARG 237 CO -0.04 0.72 0.16 0.93 -1.07 0.00 0.00 179.97 180.67 3mux h GLU 238 N 1.11 0.77 -0.70 0.04 4.39 -0.76 -1.52 114.58 117.92 3mux h GLU 238 Ca 0.35 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 3mux h GLU 238 Cb -0.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 3mux h GLU 238 CO -0.11 0.72 0.25 -0.07 -1.16 0.00 0.00 179.01 178.63 3mux h LEU 239 N 0.68 0.99 -0.98 1.33 3.38 -0.72 -2.27 115.31 117.72 3mux h LEU 239 Ca 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3mux h LEU 239 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3mux h LEU 239 CO -0.01 0.91 0.44 0.25 0.09 0.00 0.00 178.44 180.13 3mux h LEU 240 N 1.01 1.04 -0.92 1.67 5.85 -0.81 -0.64 115.31 122.51 3mux h LEU 240 Ca 0.23 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3mux h LEU 240 Cb 0.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3mux h LEU 240 CO -0.01 0.85 0.23 0.00 -0.34 0.00 0.00 178.44 179.16 3mux h ALA 241 N 1.32 1.14 -0.50 1.25 0.00 -0.88 -0.65 119.26 120.93 3mux h ALA 241 Ca 0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3mux h ALA 241 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mux h ALA 241 CO -0.04 0.60 0.13 0.28 0.00 0.00 0.00 179.25 180.22 3mux h VAL 242 N 0.98 1.24 -0.21 0.00 2.07 -0.88 -1.44 116.25 118.01 3mux h VAL 242 Ca 0.22 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3mux h VAL 242 Cb 0.25 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3mux h VAL 242 CO -0.01 0.30 0.00 0.58 0.02 0.00 0.00 177.57 178.46 3mux h VAL 243 N 0.69 0.86 -0.61 2.57 2.07 -0.53 -0.83 116.25 120.46 3mux h VAL 243 Ca 0.16 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 3mux h VAL 243 Cb 0.31 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3mux h VAL 243 CO -0.00 0.01 0.15 0.11 0.02 0.00 0.00 177.57 177.86 3mux h LYS 244 N 0.07 0.98 -0.21 1.57 1.57 -1.02 0.51 116.57 120.05 3mux h LYS 244 Ca 0.10 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3mux h LYS 244 Cb 0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3mux h LYS 244 CO -0.16 0.89 0.08 -0.22 -0.57 0.00 0.00 179.45 179.47 3mux h LYS 245 N 0.89 0.17 -0.17 3.15 3.64 -0.91 -0.92 116.57 122.42 3mux h LYS 245 Ca 0.19 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3mux h LYS 245 Cb 0.35 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3mux h LYS 245 CO 0.00 0.11 -0.32 -0.07 -2.27 0.00 0.00 179.45 176.90 3mux h LEU 246 N 0.18 0.58 -0.81 5.20 3.38 -0.93 -2.57 115.31 120.34 3mux h LEU 246 Ca 0.09 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 3mux h LEU 246 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3mux h LEU 246 CO -0.09 1.02 0.24 0.58 0.09 0.00 0.00 178.44 180.28 3mux h VAL 247 N 0.16 1.26 -0.37 1.22 2.07 -0.86 -1.15 116.25 118.57 3mux h VAL 247 Ca 0.01 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3mux h VAL 247 Cb 0.92 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3mux h VAL 247 CO 0.07 0.35 0.07 0.44 0.02 0.00 0.00 177.57 178.52 3mux h ASP 248 N 1.09 0.50 -0.46 0.57 3.32 -1.16 -2.36 116.42 117.92 3mux h ASP 248 Ca 0.24 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 3mux h ASP 248 Cb 0.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3mux h ASP 248 CO -0.01 0.52 -0.18 -0.61 -1.72 0.00 0.00 179.24 177.24 3mux h GLN 249 N 0.53 0.93 -0.64 3.56 4.15 -0.91 -3.21 115.11 119.52 3mux h GLN 249 Ca 0.12 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3mux h GLN 249 Cb 0.23 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3mux h GLN 249 CO -0.00 1.05 0.00 0.66 -1.93 0.00 0.00 178.83 178.61 3mux n TYR 250 N -4.18 1.25 1.30 3.99 4.01 -0.52 -5.11 117.16 117.90 3mux n TYR 250 Ca -0.00 -0.47 0.10 0.00 -0.16 0.00 0.00 57.90 57.37 3mux n TYR 250 Cb 0.43 -0.26 0.62 0.00 -0.31 0.00 0.00 39.34 39.82 3mux n TYR 250 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40