#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 0.00 -1.32 4.03 4.77 -1.26 -4.99 117.00 118.23 2rml n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2rml n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2rml n LEU 2 CO 0.00 0.00 0.74 -1.20 -1.33 0.00 0.00 177.39 175.60 2rml n SER 3 N 0.00 4.10 0.00 -1.43 7.64 -1.26 -4.74 113.62 117.93 2rml n SER 3 Ca 0.00 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.75 2rml n SER 3 Cb 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2rml n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2rml n GLU 4 N 1.14 0.00 -1.84 1.43 1.02 -1.26 -4.93 120.64 116.19 2rml n GLU 4 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2rml n GLU 4 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.86 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2rml s GLN 5 N 0.00 3.70 -0.00 3.49 -0.21 -1.26 -4.09 119.66 121.29 2rml s GLN 5 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 55.36 57.42 2rml s GLN 5 Cb 0.00 -4.17 -0.04 0.00 1.00 0.00 0.00 33.01 29.80 2rml s GLN 5 CO 0.00 -1.43 0.06 0.15 -2.12 0.00 0.00 175.29 171.95 2rml s LYS 6 N 5.10 2.99 0.06 2.91 1.02 -0.39 -4.91 119.74 126.52 2rml s LYS 6 Ca 0.85 -0.52 0.08 0.00 0.02 0.00 0.00 55.97 56.40 2rml s LYS 6 Cb -0.32 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2rml s LYS 6 CO 0.34 0.64 -0.22 -1.83 -0.92 0.00 0.00 175.35 173.36 2rml s GLU 7 N -1.72 1.88 0.08 1.68 -1.05 -1.26 -1.52 118.70 116.79 2rml s GLU 7 Ca 0.22 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 53.83 2rml s GLU 7 Cb -0.12 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2rml s GLU 7 CO 0.13 0.52 0.30 -1.50 0.95 0.00 0.00 175.26 175.66 2rml s ILE 8 N -0.91 0.10 0.02 1.83 -1.16 -0.76 -5.02 121.20 115.28 2rml s ILE 8 Ca 0.14 -0.78 0.01 0.00 -0.51 0.00 0.00 60.65 59.51 2rml s ILE 8 Cb -0.10 -1.12 -0.01 0.00 0.61 0.00 0.00 42.46 41.83 2rml s ILE 8 CO 0.04 -0.43 -0.05 0.00 -2.81 0.00 0.00 174.94 171.69 2rml s ALA 9 N -3.31 0.40 0.00 1.50 0.00 -1.26 -0.60 121.76 118.50 2rml s ALA 9 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2rml s ALA 9 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2rml s ALA 9 CO -0.08 0.01 -0.00 -1.64 0.00 0.00 0.00 175.76 174.04 2rml s MET 10 N -0.88 0.11 -0.18 0.00 -1.94 0.12 -3.53 119.30 113.01 2rml s MET 10 Ca -0.05 -0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 53.56 2rml s MET 10 Cb -0.06 0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.78 2rml s MET 10 CO -0.00 -0.02 0.44 -1.14 -0.01 0.00 0.00 175.02 174.30 2rml s GLN 11 N -0.49 4.22 -0.14 2.03 -0.44 -1.26 -0.48 119.66 123.10 2rml s GLN 11 Ca -0.05 0.31 0.00 0.00 -2.50 0.00 0.00 55.36 53.12 2rml s GLN 11 Cb -0.03 -3.52 0.03 0.00 -1.64 0.00 0.00 33.01 27.85 2rml s GLN 11 CO -0.00 -0.01 -0.11 0.54 0.50 0.00 0.00 175.29 176.21 2rml s VAL 12 N 1.21 1.34 0.09 1.34 0.11 -0.50 -1.52 120.40 122.47 2rml s VAL 12 Ca 0.22 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.64 2rml s VAL 12 Cb -0.15 -1.31 -0.06 0.00 -1.53 0.00 0.00 36.38 33.33 2rml s VAL 12 CO 0.09 0.39 0.42 -0.55 -3.33 0.00 0.00 175.10 172.12 2rml s SER 13 N 1.58 6.66 0.00 3.54 0.15 0.66 -4.58 113.70 121.70 2rml s SER 13 Ca 0.04 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2rml s SER 13 Cb -0.13 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2rml s SER 13 CO -0.09 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2rml n GLY 14 N 0.83 1.28 3.72 9.45 0.00 -1.26 -1.55 105.19 117.67 2rml n GLY 14 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2rml n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rml s MET 15 N -0.31 4.54 0.24 1.61 -1.94 -1.26 -5.02 119.30 117.16 2rml s MET 15 Ca 0.00 1.63 0.01 0.00 -1.71 0.00 0.00 55.69 55.62 2rml s MET 15 Cb 0.00 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 2rml s MET 15 CO 0.00 -0.06 0.10 0.95 -0.01 0.00 0.00 175.02 176.00 2rml s THR 16 N 0.57 0.46 0.00 2.05 -4.23 -1.26 -4.95 115.64 108.28 2rml s THR 16 Ca 0.53 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2rml s THR 16 Cb -0.27 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2rml s THR 16 CO 0.31 -0.03 0.00 0.00 -0.54 0.00 0.00 174.62 174.36 2rml n ALA 18 N 0.92 0.00 0.23 0.00 0.00 -1.26 -4.76 120.51 115.63 2rml n ALA 18 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2rml n ALA 18 Cb 0.00 -0.12 0.27 0.00 0.00 0.00 0.00 19.45 19.60 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 19 N 0.00 1.00 -0.74 0.00 0.00 -2.00 -3.07 119.26 114.45 2rml h ALA 19 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2rml h ALA 19 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2rml h ALA 19 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.74 2rml h ALA 21 N 1.64 0.08 -0.82 0.00 0.00 -1.81 -0.86 119.26 117.50 2rml h ALA 21 Ca 0.35 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.35 2rml h ALA 21 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2rml h ALA 21 CO -0.12 -0.44 0.49 0.00 0.00 0.00 0.00 179.25 179.17 2rml h ALA 22 N 1.05 1.14 -0.46 0.00 0.00 -1.49 -1.28 119.26 118.22 2rml h ALA 22 Ca 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 22 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2rml h ALA 22 CO -0.03 0.17 0.00 -0.09 0.00 0.00 0.00 179.25 179.30 2rml h ARG 23 N 0.86 0.76 0.46 0.00 1.12 -0.89 -2.40 114.38 114.29 2rml h ARG 23 Ca 0.37 -0.20 -0.02 0.00 -1.11 0.00 0.00 59.98 59.02 2rml h ARG 23 Cb 0.25 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 2rml h ARG 23 CO -0.20 0.77 -0.22 0.82 -3.11 0.00 0.00 179.97 178.02 2rml h ILE 24 N 0.71 0.25 0.28 1.20 2.04 -0.63 -3.17 117.51 118.19 2rml h ILE 24 Ca 0.14 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2rml h ILE 24 Cb 0.43 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2rml h ILE 24 CO 0.02 0.05 -0.17 -0.33 0.00 0.00 0.00 178.15 177.72 2rml h GLU 25 N -1.06 -0.41 -0.03 2.37 5.08 -1.26 -1.75 114.58 117.52 2rml h GLU 25 Ca -0.06 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2rml h GLU 25 Cb 0.56 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2rml h GLU 25 CO 0.10 -0.27 0.01 -0.22 -1.00 0.00 0.00 179.01 177.63 2rml h LYS 26 N -0.42 0.04 -0.25 2.33 3.64 -1.62 0.09 116.57 120.39 2rml h LYS 26 Ca -0.03 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2rml h LYS 26 Cb 0.35 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2rml h LYS 26 CO 0.03 0.03 -0.38 0.78 -2.27 0.00 0.00 179.45 177.65 2rml h GLY 27 N 0.06 0.60 0.99 5.01 0.00 -1.31 -2.93 103.07 105.50 2rml h GLY 27 Ca 0.01 -0.58 -0.32 0.00 0.00 0.00 0.00 47.33 46.44 2rml h GLY 27 CO -0.00 0.53 -1.52 1.41 0.00 0.00 0.00 176.54 176.96 2rml h LEU 28 N 0.46 0.68 0.00 3.11 4.07 -0.92 -3.34 115.31 119.38 2rml h LEU 28 Ca 0.05 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.08 2rml h LEU 28 Cb 0.86 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2rml h LEU 28 CO 0.07 1.71 0.01 0.29 -1.08 0.00 0.00 178.44 179.44 2rml n LYS 29 N -3.73 0.00 0.14 1.13 5.02 -0.02 -1.44 118.16 119.26 2rml n LYS 29 Ca -0.21 0.26 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2rml n LYS 29 Cb 1.05 -1.51 0.26 0.00 -0.02 0.00 0.00 35.03 34.81 2rml n LYS 29 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2rml h ARG 30 N 0.00 0.09 -5.54 1.97 1.12 -1.63 -3.46 114.38 106.92 2rml h ARG 30 Ca 0.00 -0.04 -0.59 0.00 -1.11 0.00 0.00 59.98 58.24 2rml h ARG 30 Cb 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 29.88 2rml h ARG 30 CO 0.00 0.53 -0.29 0.00 -3.11 0.00 0.00 179.97 177.10 2rml s MET 31 N -4.02 4.27 0.40 0.20 0.23 -0.52 -5.00 119.30 114.87 2rml s MET 31 Ca -0.03 0.16 0.28 0.00 -1.03 0.00 0.00 55.69 55.08 2rml s MET 31 Cb 0.14 -3.43 1.27 0.00 -1.53 0.00 0.00 34.83 31.28 2rml s MET 31 CO 0.75 0.22 1.85 -1.00 -2.03 0.00 0.00 175.02 174.81 2rml h PRO 32 N 6.69 0.00 -0.00 3.16 0.13 -1.89 -1.43 132.00 138.66 2rml h PRO 32 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2rml h PRO 32 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2rml h PRO 32 CO 0.76 0.00 -0.03 0.41 -0.23 0.00 0.00 178.00 178.91 2rml n GLY 33 N -0.30 -1.16 3.62 1.56 0.00 -1.25 -4.75 105.19 102.92 2rml n GLY 33 Ca 0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2rml n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 34 N -2.48 5.08 -0.12 1.61 1.01 -0.54 -0.73 120.40 124.24 2rml s VAL 34 Ca 0.31 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.48 2rml s VAL 34 Cb 0.20 -3.35 -0.24 0.00 0.00 0.00 0.00 36.38 33.00 2rml s VAL 34 CO 0.45 0.37 0.37 1.07 0.00 0.00 0.00 175.10 177.37 2rml n THR 35 N 4.19 1.55 -3.58 3.92 5.66 -0.18 -4.88 114.28 120.96 2rml n THR 35 Ca -0.16 -0.78 -0.14 0.00 -3.05 0.00 0.00 64.05 59.92 2rml n THR 35 Cb 0.52 -0.97 -0.05 0.00 -1.55 0.00 0.00 70.33 68.28 2rml n THR 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rml s ASP 36 N -6.04 -0.43 -0.16 1.09 -1.08 -0.65 -5.00 116.67 104.40 2rml s ASP 36 Ca -0.11 0.19 -0.07 0.00 -0.52 0.00 0.00 52.55 52.04 2rml s ASP 36 Cb 0.07 0.49 0.06 0.00 -1.46 0.00 0.00 42.92 42.08 2rml s ASP 36 CO 0.80 -0.70 0.36 0.00 0.52 0.00 0.00 175.17 176.14 2rml s ALA 37 N -2.36 -0.89 -0.04 3.66 0.00 -1.26 -0.70 121.76 120.16 2rml s ALA 37 Ca -0.06 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 2rml s ALA 37 Cb -0.01 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.18 2rml s ALA 37 CO -0.01 -0.41 0.06 -0.80 0.00 0.00 0.00 175.76 174.60 2rml s ASN 38 N 1.77 0.97 -0.27 0.00 0.01 0.02 -4.80 114.94 112.63 2rml s ASN 38 Ca -0.06 0.09 -0.07 0.00 -0.71 0.00 0.00 52.86 52.10 2rml s ASN 38 Cb -0.10 -0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.44 2rml s ASN 38 CO -0.11 -0.23 0.07 0.54 -1.51 0.00 0.00 177.10 175.85 2rml s VAL 39 N 2.02 4.05 -0.54 1.60 0.11 -1.26 -0.76 120.40 125.62 2rml s VAL 39 Ca 0.03 -0.47 -0.28 0.00 -2.93 0.00 0.00 61.98 58.33 2rml s VAL 39 Cb -0.12 -2.99 0.02 0.00 -1.53 0.00 0.00 36.38 31.76 2rml s VAL 39 CO -0.03 0.21 1.32 0.21 -3.33 0.00 0.00 175.10 173.48 2rml s ASN 40 N 1.54 6.30 0.14 3.54 3.84 -0.10 -4.92 114.94 125.29 2rml s ASN 40 Ca 0.04 0.34 -0.15 0.00 0.21 0.00 0.00 52.86 53.30 2rml s ASN 40 Cb -0.16 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.01 2rml s ASN 40 CO 0.02 -1.56 1.71 0.25 -2.79 0.00 0.00 177.10 174.74 2rml h LEU 41 N 12.44 0.58 0.00 3.21 5.85 -1.96 -0.70 115.31 134.73 2rml h LEU 41 Ca -0.26 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2rml h LEU 41 Cb 1.08 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2rml h LEU 41 CO 1.16 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 179.82 2rml n ALA 42 N -2.30 2.07 -1.53 1.25 0.00 -1.26 -1.96 120.51 116.78 2rml n ALA 42 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2rml n ALA 42 Cb 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2rml n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rml n THR 43 N -0.94 0.00 -2.14 0.00 -1.04 -1.14 -5.05 114.28 103.97 2rml n THR 43 Ca 0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.98 2rml n THR 43 Cb 0.05 0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 69.23 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rml n GLU 44 N 0.00 -1.92 -4.62 -2.82 2.13 -0.31 -4.93 120.64 108.17 2rml n GLU 44 Ca 0.00 0.69 -0.27 0.00 0.66 0.00 0.00 57.16 58.23 2rml n GLU 44 Cb 0.59 -5.19 -0.17 0.00 0.27 0.00 0.00 31.44 26.94 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 45 N -2.51 1.43 -0.16 6.31 2.01 -0.97 -1.41 115.64 120.33 2rml s THR 45 Ca 0.00 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 2rml s THR 45 Cb 0.00 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2rml s THR 45 CO 0.00 0.42 0.44 -0.44 -0.69 0.00 0.00 174.62 174.35 2rml s SER 46 N 0.77 6.56 -0.13 3.53 0.01 0.37 -0.92 113.70 123.88 2rml s SER 46 Ca -0.12 0.66 0.02 0.00 1.31 0.00 0.00 55.95 57.83 2rml s SER 46 Cb -0.16 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 2rml s SER 46 CO 0.02 -0.04 -0.19 0.20 0.41 0.00 0.00 173.24 173.64 2rml s ASN 47 N 0.82 3.41 0.04 2.44 0.01 0.06 -0.70 114.94 121.03 2rml s ASN 47 Ca 0.22 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 2rml s ASN 47 Cb -0.15 -1.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.99 2rml s ASN 47 CO 0.09 0.12 -0.04 0.68 -1.51 0.00 0.00 177.10 176.43 2rml s VAL 48 N 0.58 0.31 -0.06 1.60 -7.23 0.23 -0.80 120.40 115.03 2rml s VAL 48 Ca -0.11 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2rml s VAL 48 Cb -0.16 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 35.94 2rml s VAL 48 CO 0.03 -0.66 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.47 2rml s ILE 49 N -2.38 0.74 0.17 -0.62 1.09 0.12 -1.83 121.20 118.49 2rml s ILE 49 Ca -0.05 -0.22 -0.18 0.00 -1.10 0.00 0.00 60.65 59.10 2rml s ILE 49 Cb -0.03 -0.74 0.04 0.00 -1.06 0.00 0.00 42.46 40.66 2rml s ILE 49 CO -0.04 0.28 0.51 -0.72 -0.10 0.00 0.00 174.94 174.87 2rml s TYR 50 N 1.00 -0.22 -0.11 3.97 1.13 -0.58 -1.01 117.35 121.53 2rml s TYR 50 Ca -0.09 -0.10 -0.02 0.00 -1.41 0.00 0.00 57.07 55.45 2rml s TYR 50 Cb -0.14 0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 41.08 2rml s TYR 50 CO -0.00 -0.86 -0.03 0.34 -2.51 0.00 0.00 175.55 172.49 2rml s ASP 51 N -2.83 4.95 -1.55 -0.18 -1.08 0.10 -1.27 116.67 114.81 2rml s ASP 51 Ca 0.06 -0.00 -0.10 0.00 -0.52 0.00 0.00 52.55 51.99 2rml s ASP 51 Cb -0.00 -1.55 -0.03 0.00 -1.46 0.00 0.00 42.92 39.87 2rml s ASP 51 CO -0.07 0.28 2.75 -0.81 0.52 0.00 0.00 175.17 177.85 2rml n PRO 52 N 2.78 3.77 0.00 4.34 -0.04 -1.26 -3.79 135.00 140.80 2rml n PRO 52 Ca -0.18 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 2rml n PRO 52 Cb 0.53 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml n ALA 53 N 3.54 0.00 1.44 0.55 0.00 -1.26 -4.97 120.51 119.81 2rml n ALA 53 Ca 0.72 0.00 0.01 0.00 0.00 0.00 0.00 53.44 54.17 2rml n ALA 53 Cb 0.25 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.74 2rml n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rml n GLU 54 N -2.27 1.22 -3.30 0.00 -0.58 -1.25 -4.83 120.64 109.63 2rml n GLU 54 Ca 0.00 -0.25 0.02 0.00 -0.42 0.00 0.00 57.16 56.51 2rml n GLU 54 Cb 0.00 -1.24 0.01 0.00 -0.57 0.00 0.00 31.44 29.63 2rml n GLU 54 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2rml n THR 55 N -0.17 0.00 -3.76 2.62 5.66 -1.25 -3.77 114.28 113.60 2rml n THR 55 Ca 0.02 -0.07 -0.06 0.00 -3.05 0.00 0.00 64.05 60.89 2rml n THR 55 Cb 0.16 0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 69.29 2rml n THR 55 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2rml s GLY 56 N -3.52 -0.21 0.14 1.09 0.00 -1.26 -4.56 107.32 98.99 2rml s GLY 56 Ca 0.21 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.68 2rml s GLY 56 CO -0.01 -0.01 1.65 -0.84 0.00 0.00 0.00 173.10 173.89 2rml h THR 57 N 2.00 0.52 0.00 0.90 2.02 -1.95 -1.37 112.91 115.03 2rml h THR 57 Ca -0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2rml h THR 57 Cb 1.25 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2rml h THR 57 CO 0.26 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 176.03 2rml h ALA 58 N 0.83 1.47 0.00 6.16 0.00 -1.99 -1.45 119.26 124.28 2rml h ALA 58 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 58 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2rml h ALA 58 CO -0.29 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2rml h ALA 59 N 1.88 1.00 0.53 0.00 0.00 -1.66 -1.81 119.26 119.20 2rml h ALA 59 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 59 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2rml h ALA 59 CO 0.02 0.00 -0.26 0.82 0.00 0.00 0.00 179.25 179.83 2rml h ILE 60 N 0.00 0.28 -0.32 0.00 1.08 -1.12 -2.17 117.51 115.27 2rml h ILE 60 Ca 0.00 -0.43 -0.13 0.00 -0.39 0.00 0.00 64.86 63.91 2rml h ILE 60 Cb 0.49 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2rml h ILE 60 CO 0.00 0.04 -0.34 0.06 -0.69 0.00 0.00 178.15 177.23 2rml h GLN 61 N -1.04 0.70 -0.22 2.37 3.07 -1.59 -0.04 115.11 118.37 2rml h GLN 61 Ca -0.07 -0.33 -0.09 0.00 0.09 0.00 0.00 58.65 58.25 2rml h GLN 61 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2rml h GLN 61 CO 0.12 0.94 -0.25 1.49 0.09 0.00 0.00 178.83 181.23 2rml h GLU 62 N 0.59 0.40 -0.36 0.06 4.81 -1.46 -0.79 114.58 117.84 2rml h GLU 62 Ca 0.06 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 2rml h GLU 62 Cb 0.86 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2rml h GLU 62 CO 0.07 0.63 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.42 2rml h LYS 63 N 0.36 0.86 -0.23 1.92 1.63 -1.00 -1.35 116.57 118.77 2rml h LYS 63 Ca 0.06 -0.45 0.05 0.00 -0.85 0.00 0.00 60.65 59.45 2rml h LYS 63 Cb 0.63 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 2rml h LYS 63 CO 0.05 1.09 -0.06 0.82 -3.45 0.00 0.00 179.45 177.89 2rml h ILE 64 N 0.66 0.76 -0.30 2.00 2.04 -0.68 -1.86 117.51 120.13 2rml h ILE 64 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2rml h ILE 64 Cb 0.92 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 2rml h ILE 64 CO 0.08 0.00 -0.18 -0.33 0.00 0.00 0.00 178.15 177.72 2rml h GLU 65 N -0.01 -0.14 0.00 2.37 4.39 -1.17 -2.22 114.58 117.80 2rml h GLU 65 Ca 0.11 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2rml h GLU 65 Cb 0.18 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2rml h GLU 65 CO -0.24 -0.10 0.00 1.63 -1.16 0.00 0.00 179.01 179.15 2rml n LYS 66 N -5.35 0.00 0.00 2.33 4.76 -0.51 -1.12 118.16 118.28 2rml n LYS 66 Ca 0.00 0.44 0.13 0.00 -2.87 0.00 0.00 58.31 56.00 2rml n LYS 66 Cb 0.26 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.29 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rml n LEU 67 N -1.48 0.70 0.00 -0.35 7.99 -0.77 -4.97 117.00 118.11 2rml n LEU 67 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2rml n LEU 67 Cb 0.03 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 2rml n LEU 67 CO 0.03 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 2rml n GLY 68 N 1.42 0.82 2.76 -0.72 0.00 -0.28 -4.95 105.19 104.23 2rml n GLY 68 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2rml n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 69 N 0.00 -0.56 -3.93 1.61 4.01 -1.19 -5.01 117.16 112.09 2rml n TYR 69 Ca 0.00 -2.37 -0.35 0.00 -0.16 0.00 0.00 57.90 55.02 2rml n TYR 69 Cb 0.00 0.21 -0.14 0.00 -0.31 0.00 0.00 39.34 39.10 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2rml s HIS 70 N -3.11 3.14 0.05 -0.72 3.76 -0.59 -4.71 115.29 113.10 2rml s HIS 70 Ca 0.32 -1.64 -0.31 0.00 -0.15 0.00 0.00 55.06 53.28 2rml s HIS 70 Cb 0.02 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2rml s HIS 70 CO 0.22 -0.75 1.20 0.54 -0.85 0.00 0.00 174.74 175.10 2rml s VAL 71 N 1.31 4.07 -0.87 -0.90 0.11 -1.26 -0.24 120.40 122.62 2rml s VAL 71 Ca -0.02 1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 60.49 2rml s VAL 71 Cb -0.18 -3.95 0.31 0.00 -1.53 0.00 0.00 36.38 31.03 2rml s VAL 71 CO -0.03 0.10 2.07 1.33 -3.33 0.00 0.00 175.10 175.24 2rml n VAL 72 N 3.99 4.16 -3.66 2.04 0.24 -0.58 -4.93 118.33 119.59 2rml n VAL 72 Ca 0.09 -4.54 -0.36 0.00 -2.04 0.00 0.00 64.34 57.49 2rml n VAL 72 Cb 0.46 -1.36 -0.08 0.00 -1.47 0.00 0.00 33.84 31.39 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2rml s THR 73 N -4.55 5.37 -0.13 3.34 -4.23 -1.26 -4.43 115.64 109.75 2rml s THR 73 Ca 0.50 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 2rml s THR 73 Cb 0.37 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 2rml s THR 73 CO -0.33 0.39 0.16 -0.70 -0.54 0.00 0.00 174.62 173.59 2rml s GLU 74 N 0.71 3.65 0.08 3.99 2.12 0.22 -4.81 118.70 124.66 2rml s GLU 74 Ca 0.09 -0.11 -0.22 0.00 0.36 0.00 0.00 54.97 55.09 2rml s GLU 74 Cb -0.12 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 30.95 2rml s GLU 74 CO 0.02 0.66 0.66 -1.59 -0.54 0.00 0.00 175.26 174.47 2rml s LYS 75 N -0.70 4.38 0.07 4.30 -2.85 -1.26 -1.54 119.74 122.14 2rml s LYS 75 Ca 0.14 0.91 -0.08 0.00 -1.00 0.00 0.00 55.97 55.94 2rml s LYS 75 Cb -0.12 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.35 2rml s LYS 75 CO 0.03 0.50 0.16 0.00 0.10 0.00 0.00 175.35 176.14 2rml s ALA 76 N -0.73 -0.14 -0.29 0.59 0.00 -0.03 -5.00 121.76 116.17 2rml s ALA 76 Ca 0.33 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 2rml s ALA 76 Cb -0.20 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 2rml s ALA 76 CO 0.21 -0.46 0.09 -1.21 0.00 0.00 0.00 175.76 174.39 2rml s GLU 77 N -3.62 3.23 0.12 0.00 2.02 -1.26 -0.73 118.70 118.46 2rml s GLU 77 Ca 0.03 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2rml s GLU 77 Cb 0.04 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2rml s GLU 77 CO -0.10 -0.39 0.28 -0.06 0.02 0.00 0.00 175.26 175.01 2rml s PHE 78 N 1.54 3.50 -0.14 1.61 0.40 0.19 -2.76 117.98 122.32 2rml s PHE 78 Ca 0.04 0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2rml s PHE 78 Cb -0.17 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 2rml s PHE 78 CO 0.03 0.52 -0.11 0.34 0.70 0.00 0.00 175.22 176.70 2rml s ASP 79 N -2.82 4.14 -0.02 1.36 -1.08 -0.33 -1.01 116.67 116.90 2rml s ASP 79 Ca 0.36 -0.30 -0.01 0.00 -0.52 0.00 0.00 52.55 52.08 2rml s ASP 79 Cb -0.12 -1.64 -0.04 0.00 -1.46 0.00 0.00 42.92 39.66 2rml s ASP 79 CO 0.28 0.16 0.07 -0.63 0.52 0.00 0.00 175.17 175.57 2rml s ILE 80 N 0.40 4.69 -0.43 4.11 1.09 0.11 -0.85 121.20 130.33 2rml s ILE 80 Ca -0.09 -0.36 0.02 0.00 -1.10 0.00 0.00 60.65 59.12 2rml s ILE 80 Cb -0.16 -3.12 0.13 0.00 -1.06 0.00 0.00 42.46 38.26 2rml s ILE 80 CO 0.05 0.40 0.21 -0.70 -0.10 0.00 0.00 174.94 174.80 2rml s GLU 81 N -1.58 1.35 0.00 2.79 2.12 -1.24 -4.80 118.70 117.34 2rml s GLU 81 Ca 0.21 -1.99 0.00 0.00 0.36 0.00 0.00 54.97 53.55 2rml s GLU 81 Cb -0.12 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.76 2rml s GLU 81 CO 0.12 -1.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 2rml n GLY 82 N 3.67 0.00 2.84 -1.50 0.00 -1.26 -4.02 105.19 104.92 2rml n GLY 82 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 0.19 0.00 1.61 0.23 -1.26 -4.94 119.30 115.12 2rml s MET 83 Ca 0.00 0.40 0.20 0.00 -1.03 0.00 0.00 55.69 55.26 2rml s MET 83 Cb 0.00 -0.77 0.40 0.00 -1.53 0.00 0.00 34.83 32.93 2rml s MET 83 CO 0.00 -0.54 1.34 0.25 -2.03 0.00 0.00 175.02 174.04 2rml n THR 84 N 5.33 0.58 -3.87 3.16 -2.24 -1.26 -4.83 114.28 111.15 2rml n THR 84 Ca -0.05 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 60.82 2rml n THR 84 Cb 0.50 0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 2rml n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml h ALA 86 N 5.07 2.12 -0.72 0.00 0.00 -1.97 -1.19 119.26 122.57 2rml h ALA 86 Ca -0.28 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2rml h ALA 86 Cb 1.20 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2rml h ALA 86 CO 0.42 -0.17 0.48 0.00 0.00 0.00 0.00 179.25 179.97 2rml h ALA 87 N 1.90 1.50 -0.12 0.00 0.00 -1.99 -0.93 119.26 119.63 2rml h ALA 87 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 87 Cb 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rml h ALA 87 CO -0.01 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.62 2rml h ALA 89 N 0.63 -0.28 -0.12 0.00 0.00 -1.28 -1.01 119.26 117.20 2rml h ALA 89 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2rml h ALA 89 Cb 0.56 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2rml h ALA 89 CO 0.02 -0.72 -0.38 -0.97 0.00 0.00 0.00 179.25 177.20 2rml h ASN 90 N -0.35 0.26 -0.57 0.00 -0.73 -1.24 0.06 115.58 113.01 2rml h ASN 90 Ca 0.07 -0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.18 2rml h ASN 90 Cb 0.45 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.92 2rml h ASN 90 CO -0.23 0.62 0.33 0.03 -0.37 0.00 0.00 177.43 177.80 2rml h ARG 91 N 0.21 0.62 -0.13 6.67 3.08 -0.88 -1.59 114.38 122.37 2rml h ARG 91 Ca 0.02 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2rml h ARG 91 Cb 0.77 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.69 2rml h ARG 91 CO 0.06 0.41 -0.82 -0.84 -1.07 0.00 0.00 179.97 177.71 2rml h ILE 92 N 0.63 1.28 -0.43 2.04 3.07 -0.84 -3.30 117.51 119.97 2rml h ILE 92 Ca 0.24 -2.01 0.08 0.00 1.55 0.00 0.00 64.86 64.72 2rml h ILE 92 Cb 0.08 2.06 -0.08 0.00 -0.27 0.00 0.00 36.82 38.61 2rml h ILE 92 CO -0.13 0.64 -0.05 -0.08 -1.05 0.00 0.00 178.15 177.47 2rml h GLU 93 N 0.50 0.05 0.00 0.16 4.81 -0.87 -0.94 114.58 118.29 2rml h GLU 93 Ca -0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2rml h GLU 93 Cb 1.45 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2rml h GLU 93 CO 0.17 0.03 0.00 1.17 -0.73 0.00 0.00 179.01 179.65 2rml n LYS 94 N -5.26 0.27 -0.06 1.92 4.81 -0.61 -0.70 118.16 118.53 2rml n LYS 94 Ca 0.03 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.42 2rml n LYS 94 Cb 0.23 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 2rml n LYS 94 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2rml n ARG 95 N -1.05 0.27 -0.23 1.64 0.00 -0.76 -4.80 116.66 111.74 2rml n ARG 95 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2rml n ARG 95 Cb 0.04 -1.17 0.12 0.00 0.00 0.00 0.00 32.46 31.45 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2rml h LEU 96 N -0.08 0.41 -1.97 6.15 -0.00 -0.49 -3.23 115.31 116.11 2rml h LEU 96 Ca -0.26 0.06 0.30 0.00 -0.00 0.00 0.00 57.88 57.98 2rml h LEU 96 Cb 1.36 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.97 2rml h LEU 96 CO -0.07 0.24 0.78 -1.13 -0.00 0.00 0.00 178.44 178.27 2rml h ASN 97 N 0.56 0.00 -1.14 -0.43 -0.73 -1.07 -3.06 115.58 109.72 2rml h ASN 97 Ca 0.32 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.31 2rml h ASN 97 Cb 0.33 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 38.74 2rml h ASN 97 CO -0.26 0.00 -0.53 -1.59 -0.37 0.00 0.00 177.43 174.68 2rml s LYS 98 N -4.91 1.04 1.29 6.67 -2.85 -1.24 -2.77 119.74 116.98 2rml s LYS 98 Ca -0.05 -1.12 -0.22 0.00 -1.00 0.00 0.00 55.97 53.59 2rml s LYS 98 Cb 0.22 -0.17 0.33 0.00 -2.06 0.00 0.00 37.83 36.14 2rml s LYS 98 CO 0.77 -1.33 0.97 -0.89 0.10 0.00 0.00 175.35 174.97 2rml n ILE 99 N 3.03 0.00 -2.51 3.79 5.41 -1.16 -4.87 119.36 123.05 2rml n ILE 99 Ca 0.19 -0.28 -0.43 0.00 1.00 0.00 0.00 62.75 63.23 2rml n ILE 99 Cb 0.55 -1.12 -0.02 0.00 -0.71 0.00 0.00 39.64 38.34 2rml n ILE 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2rml s GLU 100 N -5.25 4.06 0.00 0.38 2.02 -1.26 -1.30 118.70 117.35 2rml s GLU 100 Ca 0.67 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.94 2rml s GLU 100 Cb -0.09 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.35 2rml s GLU 100 CO 0.54 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2rml n GLY 101 N 3.95 0.45 3.63 -1.39 0.00 -1.23 -4.09 105.19 106.50 2rml n GLY 101 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -2.12 5.23 -0.17 1.61 1.01 -0.42 -0.98 120.40 124.56 2rml s VAL 102 Ca 0.00 0.50 -0.21 0.00 0.00 0.00 0.00 61.98 62.27 2rml s VAL 102 Cb 0.00 -3.65 -0.22 0.00 0.00 0.00 0.00 36.38 32.50 2rml s VAL 102 CO 0.00 0.23 0.39 0.00 0.00 0.00 0.00 175.10 175.72 2rml h ALA 103 N 7.83 0.21 -2.76 5.51 0.00 -1.02 -3.34 119.26 125.69 2rml h ALA 103 Ca -0.34 -1.08 -0.15 0.00 0.00 0.00 0.00 54.91 53.34 2rml h ALA 103 Cb 1.17 0.56 -0.20 0.00 0.00 0.00 0.00 17.79 19.32 2rml h ALA 103 CO 0.66 0.65 -0.57 -0.80 0.00 0.00 0.00 179.25 179.19 2rml s ASN 104 N -6.80 0.15 -0.30 0.00 0.01 -0.64 -4.70 114.94 102.67 2rml s ASN 104 Ca -0.25 -0.42 -0.06 0.00 -0.71 0.00 0.00 52.86 51.42 2rml s ASN 104 Cb 0.04 0.18 0.15 0.00 0.41 0.00 0.00 41.25 42.03 2rml s ASN 104 CO 0.66 -0.40 0.63 0.00 -1.51 0.00 0.00 177.10 176.48 2rml s ALA 105 N -1.84 -2.13 -0.09 0.60 0.00 -1.11 -0.45 121.76 116.74 2rml s ALA 105 Ca -0.12 2.14 -0.12 0.00 0.00 0.00 0.00 51.96 53.87 2rml s ALA 105 Cb -0.06 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 2rml s ALA 105 CO -0.01 -1.09 0.28 -1.25 0.00 0.00 0.00 175.76 173.69 2rml s PRO 106 N 2.88 3.86 -0.11 0.00 0.04 -1.18 -4.12 135.00 136.36 2rml s PRO 106 Ca 0.05 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.11 2rml s PRO 106 Cb -0.13 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 2rml s PRO 106 CO -0.20 0.59 0.24 0.08 0.04 0.00 0.00 177.00 177.75 2rml s VAL 107 N -0.60 5.33 -2.01 -0.36 1.01 -1.26 -1.99 120.40 120.51 2rml s VAL 107 Ca 0.18 0.45 0.12 0.00 0.00 0.00 0.00 61.98 62.73 2rml s VAL 107 Cb -0.14 -3.55 0.33 0.00 0.00 0.00 0.00 36.38 33.02 2rml s VAL 107 CO 0.07 0.52 1.28 0.59 0.00 0.00 0.00 175.10 177.56 2rml n ASN 108 N 2.60 1.95 0.00 3.32 3.02 -0.12 -4.98 115.26 121.05 2rml n ASN 108 Ca -0.16 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.40 2rml n ASN 108 Cb 0.53 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 2rml n ASN 108 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2rml n PHE 109 N 0.56 0.00 1.13 3.10 7.35 -1.26 -2.59 117.46 125.75 2rml n PHE 109 Ca 0.12 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.91 2rml n PHE 109 Cb 0.31 0.00 0.55 0.00 0.35 0.00 0.00 39.48 40.69 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rml n ALA 110 N 8.22 2.16 1.73 3.13 0.00 -1.26 -0.79 120.51 133.71 2rml n ALA 110 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2rml n ALA 110 Cb 0.00 -1.31 0.75 0.00 0.00 0.00 0.00 19.45 18.89 2rml n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rml n LEU 111 N -1.07 0.61 -3.74 0.00 7.99 -1.07 -4.97 117.00 114.76 2rml n LEU 111 Ca 0.13 -0.18 -0.22 0.00 -0.01 0.00 0.00 56.01 55.73 2rml n LEU 111 Cb 0.09 -0.03 -0.07 0.00 -0.11 0.00 0.00 43.42 43.30 2rml n LEU 111 CO 0.12 0.10 -0.31 -0.62 -1.51 0.00 0.00 177.39 175.17 2rml n GLU 112 N -0.56 -0.95 -4.05 3.23 1.02 0.03 -4.95 120.64 114.42 2rml n GLU 112 Ca 0.21 0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.33 2rml n GLU 112 Cb 0.22 -2.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.02 2rml n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rml s THR 113 N -3.84 0.15 -0.07 2.62 -4.23 -1.26 -0.71 115.64 108.30 2rml s THR 113 Ca 0.05 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 2rml s THR 113 Cb -0.03 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.14 2rml s THR 113 CO 0.69 -0.68 0.17 0.54 -0.54 0.00 0.00 174.62 174.80 2rml s VAL 114 N -3.95 -0.01 -0.17 2.29 0.11 -0.18 -0.94 120.40 117.55 2rml s VAL 114 Ca 0.13 0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 2rml s VAL 114 Cb 0.07 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 2rml s VAL 114 CO -0.05 0.01 0.33 -0.89 -3.33 0.00 0.00 175.10 171.16 2rml s THR 115 N 0.22 5.27 -0.04 5.04 2.01 -0.84 -0.63 115.64 126.67 2rml s THR 115 Ca -0.01 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.63 2rml s THR 115 Cb -0.02 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 2rml s THR 115 CO -0.01 0.35 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.42 2rml s VAL 116 N 0.72 1.34 -0.14 3.82 1.01 0.09 -3.11 120.40 124.14 2rml s VAL 116 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2rml s VAL 116 Cb -0.14 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2rml s VAL 116 CO 0.05 0.39 -0.17 -0.70 0.00 0.00 0.00 175.10 174.67 2rml s GLU 117 N 0.04 2.55 0.10 2.72 2.12 0.40 -0.85 118.70 125.78 2rml s GLU 117 Ca -0.03 -0.67 -0.24 0.00 0.36 0.00 0.00 54.97 54.39 2rml s GLU 117 Cb -0.11 -2.20 0.06 0.00 0.26 0.00 0.00 34.13 32.14 2rml s GLU 117 CO 0.02 -0.14 0.58 1.52 -0.54 0.00 0.00 175.26 176.70 2rml s TYR 118 N 1.18 -0.51 -0.49 5.30 1.13 -0.59 -0.45 117.35 122.93 2rml s TYR 118 Ca -0.01 0.46 -0.27 0.00 -1.41 0.00 0.00 57.07 55.85 2rml s TYR 118 Cb -0.14 0.46 0.03 0.00 -1.10 0.00 0.00 41.96 41.21 2rml s TYR 118 CO -0.07 -0.75 1.03 -0.80 -2.51 0.00 0.00 175.55 172.45 2rml s ASN 119 N -2.31 6.53 0.19 -0.18 -0.87 -0.16 -0.61 114.94 117.53 2rml s ASN 119 Ca -0.02 0.20 0.18 0.00 -1.57 0.00 0.00 52.86 51.65 2rml s ASN 119 Cb -0.00 -2.50 0.83 0.00 -0.02 0.00 0.00 41.25 39.56 2rml s ASN 119 CO -0.06 -1.18 1.55 -0.81 -2.57 0.00 0.00 177.10 174.03 2rml n PRO 120 N 7.57 0.12 0.31 -0.60 -0.04 -1.26 -1.66 135.00 139.44 2rml n PRO 120 Ca 0.08 0.46 -0.18 0.00 -0.04 0.00 0.00 63.50 63.82 2rml n PRO 120 Cb 0.49 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2rml n PRO 120 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2rml h LYS 121 N 0.00 -1.00 0.00 0.54 1.79 -1.91 -3.42 116.57 112.58 2rml h LYS 121 Ca 0.00 0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 2rml h LYS 121 Cb 0.19 0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2rml h LYS 121 CO 0.00 -0.66 -1.38 0.39 -1.08 0.00 0.00 179.45 176.72 2rml n GLU 122 N -5.57 2.35 -2.91 3.15 -0.58 -0.95 -4.95 120.64 111.18 2rml n GLU 122 Ca -0.12 -0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.28 2rml n GLU 122 Cb 0.47 -1.15 -0.06 0.00 -0.57 0.00 0.00 31.44 30.13 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -2.21 3.20 0.28 0.62 0.00 -0.66 -4.90 121.76 118.09 2rml s ALA 123 Ca -0.03 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 2rml s ALA 123 Cb 0.02 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.23 2rml s ALA 123 CO 0.25 0.15 0.57 0.45 0.00 0.00 0.00 175.76 177.17 2rml s SER 124 N -2.47 -0.02 0.59 0.00 0.15 -1.26 -4.54 113.70 106.15 2rml s SER 124 Ca 0.57 -0.94 0.34 0.00 0.70 0.00 0.00 55.95 56.62 2rml s SER 124 Cb -0.10 0.66 1.84 0.00 -1.71 0.00 0.00 66.02 66.70 2rml s SER 124 CO 0.20 -1.26 2.20 0.58 1.20 0.00 0.00 173.24 176.15 2rml h VAL 125 N 2.15 0.32 0.77 4.45 2.07 -1.99 -2.05 116.25 121.98 2rml h VAL 125 Ca -0.25 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2rml h VAL 125 Cb 1.25 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2rml h VAL 125 CO 0.33 0.04 -0.42 0.28 0.02 0.00 0.00 177.57 177.82 2rml h SER 126 N 0.00 -1.03 -0.74 0.57 0.02 -1.98 -1.10 113.55 109.28 2rml h SER 126 Ca -0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2rml h SER 126 Cb 0.17 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 2rml h SER 126 CO 0.01 -0.68 0.46 0.44 -1.14 0.00 0.00 176.83 175.92 2rml h ASP 127 N -1.10 0.89 0.66 3.07 5.19 -1.78 0.68 116.42 124.02 2rml h ASP 127 Ca -0.10 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 2rml h ASP 127 Cb 0.87 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 40.16 2rml h ASP 127 CO 0.14 0.67 -0.32 -0.07 -3.12 0.00 0.00 179.24 176.54 2rml h LEU 128 N 1.03 -0.75 -0.44 1.55 3.38 -1.51 -2.72 115.31 115.85 2rml h LEU 128 Ca 0.27 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.30 2rml h LEU 128 Cb -0.06 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2rml h LEU 128 CO -0.05 -0.45 0.24 0.11 0.09 0.00 0.00 178.44 178.37 2rml h LYS 129 N -1.06 0.46 0.00 1.13 1.57 -0.93 0.58 116.57 118.32 2rml h LYS 129 Ca -0.09 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2rml h LYS 129 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2rml h LYS 129 CO 0.15 0.30 -0.30 0.93 -0.57 0.00 0.00 179.45 179.97 2rml h GLU 130 N 0.47 0.00 0.02 3.15 5.08 -0.98 0.66 114.58 122.99 2rml h GLU 130 Ca 0.18 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.30 2rml h GLU 130 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2rml h GLU 130 CO -0.11 0.30 -1.01 0.00 -1.00 0.00 0.00 179.01 177.19 2rml h ALA 131 N 1.70 0.28 -0.08 3.43 0.00 -1.13 -3.36 119.26 120.10 2rml h ALA 131 Ca -0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 2rml h ALA 131 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2rml h ALA 131 CO 0.04 0.80 -0.60 0.28 0.00 0.00 0.00 179.25 179.78 2rml h VAL 132 N 0.24 1.38 -0.99 0.00 2.07 -0.17 -3.24 116.25 115.53 2rml h VAL 132 Ca -0.10 -1.96 0.20 0.00 0.82 0.00 0.00 66.70 65.66 2rml h VAL 132 Cb 1.66 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 33.31 2rml h VAL 132 CO 0.18 0.58 0.62 -0.78 0.02 0.00 0.00 177.57 178.18 2rml h ASP 133 N 0.20 0.70 0.20 0.57 3.58 -1.03 -0.84 116.42 119.79 2rml h ASP 133 Ca -0.01 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2rml h ASP 133 Cb 1.10 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2rml h ASP 133 CO 0.09 0.25 -0.05 0.50 -2.88 0.00 0.00 179.24 177.15 2rml h LYS 134 N 0.68 0.00 -0.01 0.28 1.63 -1.73 -2.20 116.57 115.22 2rml h LYS 134 Ca 0.56 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 2rml h LYS 134 Cb 0.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2rml h LYS 134 CO -0.34 0.05 -0.67 1.28 -3.45 0.00 0.00 179.45 176.33 2rml n LEU 135 N -3.59 1.42 0.00 5.20 7.99 -0.34 -5.01 117.00 122.66 2rml n LEU 135 Ca -0.02 -0.55 0.00 0.00 -0.01 0.00 0.00 56.01 55.42 2rml n LEU 135 Cb 0.16 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2rml n LEU 135 CO 0.27 0.29 0.00 0.61 -1.51 0.00 0.00 177.39 177.05 2rml n GLY 136 N 1.45 0.76 0.00 -0.72 0.00 -0.83 -5.06 105.19 100.80 2rml n GLY 136 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2rml n GLY 136 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2rml n TYR 137 N -2.24 -1.45 -4.09 1.61 4.11 -1.25 -5.04 117.16 108.81 2rml n TYR 137 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 2rml n TYR 137 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 2rml s LYS 138 N -1.28 0.47 -0.19 -3.48 0.00 -1.26 -4.38 119.74 109.62 2rml s LYS 138 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 55.97 55.31 2rml s LYS 138 Cb 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 37.83 37.48 2rml s LYS 138 CO 0.00 0.06 0.17 -0.51 0.00 0.00 0.00 175.35 175.07 2rml s LEU 139 N -1.07 4.22 0.50 2.77 1.43 -1.26 -3.61 118.68 121.66 2rml s LEU 139 Ca -0.06 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2rml s LEU 139 Cb -0.07 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2rml s LEU 139 CO 0.00 0.16 0.39 -0.54 0.23 0.00 0.00 176.35 176.60 2rml s LYS 140 N 0.37 2.31 0.01 1.70 1.02 -0.03 -4.95 119.74 120.17 2rml s LYS 140 Ca 0.10 -1.88 0.07 0.00 0.02 0.00 0.00 55.97 54.28 2rml s LYS 140 Cb -0.11 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 35.00 2rml s LYS 140 CO -0.01 -0.49 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.22 2rml s LEU 141 N -4.23 2.09 -0.56 3.17 1.43 -1.26 -1.19 118.68 118.13 2rml s LEU 141 Ca 0.39 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.83 2rml s LEU 141 Cb -0.02 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.23 2rml s LEU 141 CO 0.24 0.21 0.91 -0.75 0.23 0.00 0.00 176.35 177.19 2rml s LYS 142 N -0.77 3.27 0.00 1.70 2.47 -1.11 -2.03 119.74 123.28 2rml s LYS 142 Ca 0.08 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 2rml s LYS 142 Cb -0.08 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 2rml s LYS 142 CO 0.00 -1.51 0.00 0.41 0.16 0.00 0.00 175.35 174.42 2rml n GLY 143 N 5.16 1.19 1.63 5.54 0.00 -1.26 -4.79 105.19 112.66 2rml n GLY 143 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2rml n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rml n GLU 144 N 0.00 1.04 0.00 1.61 2.13 -1.25 -4.42 120.64 119.75 2rml n GLU 144 Ca 0.00 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.68 2rml n GLU 144 Cb 0.00 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2rml n GLN 145 N 1.71 0.00 -0.03 5.31 6.02 -1.24 -4.61 117.38 124.54 2rml n GLN 145 Ca 0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.87 2rml n GLN 145 Cb 0.51 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.63 2rml n GLN 145 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2rml h ASP 146 N 0.02 0.19 0.00 1.08 3.58 -1.62 -3.48 116.42 116.19 2rml h ASP 146 Ca 0.00 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.57 2rml h ASP 146 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2rml h ASP 146 CO 0.00 1.30 0.00 -1.20 -2.88 0.00 0.00 179.24 176.46