#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdn n THR 2 N 0.00 0.00 -0.06 0.44 -1.04 -1.26 -4.58 114.28 107.77 3bdn n THR 2 Ca 0.00 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.05 61.80 3bdn n THR 2 Cb 0.00 0.92 -0.15 0.00 -1.82 0.00 0.00 70.33 69.29 3bdn n THR 2 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3bdn n LYS 3 N -1.50 0.67 -4.32 -2.82 2.85 -1.26 -5.01 118.16 106.76 3bdn n LYS 3 Ca 0.03 0.15 -0.17 0.00 -1.05 0.00 0.00 58.31 57.27 3bdn n LYS 3 Cb 0.31 -1.64 -0.10 0.00 -0.65 0.00 0.00 35.03 32.95 3bdn n LYS 3 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3bdn s LYS 4 N -2.54 1.42 0.10 -1.58 2.47 -1.26 -5.16 119.74 113.20 3bdn s LYS 4 Ca -0.13 -1.77 -0.13 0.00 -1.56 0.00 0.00 55.97 52.39 3bdn s LYS 4 Cb 0.07 -0.30 -0.06 0.00 -1.46 0.00 0.00 37.83 36.08 3bdn s LYS 4 CO 0.79 -0.29 0.48 0.15 0.16 0.00 0.00 175.35 176.64 3bdn s LYS 5 N -4.02 3.90 0.00 4.03 -0.14 -1.26 -4.58 119.74 117.66 3bdn s LYS 5 Ca 0.38 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 55.35 3bdn s LYS 5 Cb 0.08 -2.99 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 3bdn s LYS 5 CO 0.14 0.54 0.00 -0.35 -0.76 0.00 0.00 175.35 174.91 3bdn n PRO 6 N 0.97 0.00 -1.72 -1.68 -0.04 -1.26 -5.12 135.00 126.14 3bdn n PRO 6 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3bdn n PRO 6 Cb 0.52 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 3bdn n PRO 6 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3bdn n LEU 7 N -1.27 -5.61 -4.75 1.53 0.00 -1.26 -5.00 117.00 100.65 3bdn n LEU 7 Ca 0.00 2.78 -0.29 0.00 0.00 0.00 0.00 56.01 58.50 3bdn n LEU 7 Cb 0.00 -2.69 0.18 0.00 0.00 0.00 0.00 43.42 40.91 3bdn n LEU 7 CO 0.00 -1.08 0.71 0.42 0.00 0.00 0.00 177.39 177.44 3bdn s THR 8 N -1.05 1.87 0.02 1.96 -4.23 -1.26 -4.91 115.64 108.05 3bdn s THR 8 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 3bdn s THR 8 Cb 0.00 -2.70 -0.36 0.00 1.34 0.00 0.00 72.50 70.79 3bdn s THR 8 CO 0.00 0.00 0.97 1.56 -0.54 0.00 0.00 174.62 176.61 3bdn h GLN 9 N -1.91 0.54 0.00 3.99 1.08 -1.98 -2.83 115.11 114.00 3bdn h GLN 9 Ca -0.48 -0.92 0.00 0.00 -1.45 0.00 0.00 58.65 55.81 3bdn h GLN 9 Cb 1.30 0.34 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 3bdn h GLN 9 CO 0.48 1.44 0.00 1.49 -0.95 0.00 0.00 178.83 181.29 3bdn h GLU 10 N 0.15 0.00 -0.13 1.46 4.22 -1.98 -1.83 114.58 116.47 3bdn h GLU 10 Ca -0.27 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.12 3bdn h GLU 10 Cb 2.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.41 3bdn h GLU 10 CO 0.27 0.00 -0.19 0.37 -2.18 0.00 0.00 179.01 177.29 3bdn h GLN 11 N 0.00 0.21 0.06 1.92 4.15 -1.88 -2.52 115.11 117.05 3bdn h GLN 11 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 3bdn h GLN 11 Cb 0.76 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3bdn h GLN 11 CO 0.00 0.40 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.20 3bdn h LEU 12 N 0.19 -0.07 -1.57 -2.39 3.38 -1.17 -3.31 115.31 110.38 3bdn h LEU 12 Ca 0.04 -0.53 0.44 0.00 0.09 0.00 0.00 57.88 57.91 3bdn h LEU 12 Cb 0.45 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 3bdn h LEU 12 CO 0.03 0.54 0.94 -0.33 0.09 0.00 0.00 178.44 179.71 3bdn h GLU 13 N -0.71 0.08 0.10 1.13 4.39 -0.99 0.11 114.58 118.69 3bdn h GLU 13 Ca -0.01 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 3bdn h GLU 13 Cb 0.59 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3bdn h GLU 13 CO 0.01 0.06 -0.67 -0.44 -1.16 0.00 0.00 179.01 176.81 3bdn h ASP 14 N 0.09 0.41 0.43 1.42 3.32 -1.59 -2.71 116.42 117.79 3bdn h ASP 14 Ca 0.80 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3bdn h ASP 14 Cb 2.68 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 42.09 3bdn h ASP 14 CO -0.29 1.31 -0.19 0.00 -1.72 0.00 0.00 179.24 178.34 3bdn h ALA 15 N 0.11 1.30 -0.48 3.45 0.00 -0.98 -0.22 119.26 122.44 3bdn h ALA 15 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3bdn h ALA 15 Cb 1.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3bdn h ALA 15 CO 0.13 0.24 0.00 -2.13 0.00 0.00 0.00 179.25 177.49 3bdn n ARG 16 N -3.76 0.00 -0.30 0.00 0.00 0.09 -1.03 116.66 111.68 3bdn n ARG 16 Ca -0.02 0.42 0.28 0.00 -0.00 0.00 0.00 57.85 58.53 3bdn n ARG 16 Cb 0.30 -1.20 0.50 0.00 0.00 0.00 0.00 32.46 32.06 3bdn n ARG 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3bdn n ARG 17 N -1.76 -0.04 0.39 -0.14 0.63 -1.02 0.20 116.66 114.92 3bdn n ARG 17 Ca 0.00 1.09 -0.16 0.00 -0.92 0.00 0.00 57.85 57.87 3bdn n ARG 17 Cb 0.00 -2.01 -0.07 0.00 0.45 0.00 0.00 32.46 30.82 3bdn n ARG 17 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3bdn h LEU 18 N 0.00 -0.87 -0.59 6.15 5.85 -1.08 -3.33 115.31 121.45 3bdn h LEU 18 Ca 0.70 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.50 3bdn h LEU 18 Cb 1.97 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 43.15 3bdn h LEU 18 CO -0.56 -0.52 -0.35 1.17 -0.34 0.00 0.00 178.44 177.84 3bdn n LYS 19 N -5.29 -0.26 -0.25 1.25 4.81 0.54 -0.09 118.16 118.87 3bdn n LYS 19 Ca -0.13 1.12 0.25 0.00 -0.87 0.00 0.00 58.31 58.69 3bdn n LYS 19 Cb 0.40 -1.65 0.62 0.00 0.02 0.00 0.00 35.03 34.42 3bdn n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bdn h ALA 20 N 0.07 2.56 0.00 3.14 0.00 -1.64 0.15 119.26 123.55 3bdn h ALA 20 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3bdn h ALA 20 Cb 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3bdn h ALA 20 CO -0.56 -0.87 -0.92 0.82 0.00 0.00 0.00 179.25 177.72 3bdn h ILE 21 N 0.20 1.65 -0.41 0.00 2.04 -0.60 -3.20 117.51 117.19 3bdn h ILE 21 Ca 0.49 -3.11 -0.06 0.00 1.00 0.00 0.00 64.86 63.19 3bdn h ILE 21 Cb 1.58 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 40.33 3bdn h ILE 21 CO -0.12 0.89 0.01 0.22 0.00 0.00 0.00 178.15 179.15 3bdn h TYR 22 N 0.01 0.67 0.07 1.37 3.20 -0.25 -3.14 116.97 118.91 3bdn h TYR 22 Ca -0.01 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.79 3bdn h TYR 22 Cb 1.62 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.67 3bdn h TYR 22 CO 0.00 0.64 -0.35 0.93 -1.64 0.00 0.00 178.16 177.74 3bdn h GLU 23 N 0.61 -0.47 0.00 1.82 4.39 -1.52 -3.08 114.58 116.33 3bdn h GLU 23 Ca 0.13 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3bdn h GLU 23 Cb 0.38 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3bdn h GLU 23 CO 0.01 -0.32 -0.01 0.87 -1.16 0.00 0.00 179.01 178.41 3bdn h LYS 24 N -0.49 0.00 0.01 2.33 1.79 -1.65 -3.23 116.57 115.32 3bdn h LYS 24 Ca -0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 3bdn h LYS 24 Cb 0.50 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.08 3bdn h LYS 24 CO -0.20 0.01 -2.40 1.63 -1.08 0.00 0.00 179.45 177.41 3bdn n LYS 25 N -3.24 0.67 -0.33 3.15 4.01 -1.17 -3.95 118.16 117.29 3bdn n LYS 25 Ca -0.03 0.10 0.05 0.00 -0.51 0.00 0.00 58.31 57.92 3bdn n LYS 25 Cb 0.11 -1.54 0.21 0.00 -0.51 0.00 0.00 35.03 33.30 3bdn n LYS 25 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 3bdn h LYS 26 N 0.00 0.88 -0.55 1.97 2.10 -1.56 0.24 116.57 119.66 3bdn h LYS 26 Ca -0.55 -0.05 0.05 0.00 -2.00 0.00 0.00 60.65 58.09 3bdn h LYS 26 Cb 2.05 -0.20 -0.07 0.00 -0.90 0.00 0.00 32.23 33.11 3bdn h LYS 26 CO -0.03 0.58 -0.33 -0.91 -2.00 0.00 0.00 179.45 176.77 3bdn h ASN 27 N 0.91 -1.21 -0.68 7.07 -0.26 -1.72 2.49 115.58 122.19 3bdn h ASN 27 Ca 0.46 0.18 0.13 0.00 -0.56 0.00 0.00 56.30 56.51 3bdn h ASN 27 Cb 0.44 0.53 -0.09 0.00 -1.06 0.00 0.00 38.32 38.14 3bdn h ASN 27 CO -0.26 -0.13 0.19 -0.08 -1.06 0.00 0.00 177.43 176.09 3bdn h GLU 28 N -0.01 0.31 -0.00 0.81 4.57 -0.68 -3.24 114.58 116.34 3bdn h GLU 28 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3bdn h GLU 28 Cb 0.23 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3bdn h GLU 28 CO -0.52 0.20 -0.00 1.28 -1.18 0.00 0.00 179.01 178.79 3bdn n LEU 29 N -5.10 1.13 -2.30 1.64 4.32 -0.66 -5.05 117.00 110.99 3bdn n LEU 29 Ca 0.12 -0.98 -0.04 0.00 -0.02 0.00 0.00 56.01 55.08 3bdn n LEU 29 Cb 0.38 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.18 3bdn n LEU 29 CO 0.16 0.26 -0.02 0.61 -1.22 0.00 0.00 177.39 177.19 3bdn n GLY 30 N 0.14 -1.44 2.99 -0.72 0.00 0.83 -5.04 105.19 101.94 3bdn n GLY 30 Ca 0.01 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 3bdn n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdn s LEU 31 N -1.83 2.06 0.33 0.99 1.43 -1.11 -5.03 118.68 115.51 3bdn s LEU 31 Ca 0.13 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3bdn s LEU 31 Cb -0.04 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.39 3bdn s LEU 31 CO 0.46 -0.26 0.47 -0.55 0.23 0.00 0.00 176.35 176.71 3bdn s SER 32 N -1.18 0.74 0.08 2.29 0.15 -1.26 -4.74 113.70 109.78 3bdn s SER 32 Ca -0.13 -1.41 -0.29 0.00 0.70 0.00 0.00 55.95 54.83 3bdn s SER 32 Cb -0.08 0.65 -0.13 0.00 -1.71 0.00 0.00 66.02 64.75 3bdn s SER 32 CO -0.00 -1.28 1.45 1.56 1.20 0.00 0.00 173.24 176.17 3bdn h GLN 33 N 2.14 -0.71 -0.17 5.44 4.20 -2.00 -1.56 115.11 122.46 3bdn h GLN 33 Ca -0.28 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.52 3bdn h GLN 33 Cb 1.24 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 3bdn h GLN 33 CO 0.39 -0.47 0.14 1.05 -0.67 0.00 0.00 178.83 179.26 3bdn h GLU 34 N -0.73 0.00 -0.34 1.46 9.09 -1.92 -1.66 114.58 120.48 3bdn h GLU 34 Ca -0.03 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.32 3bdn h GLU 34 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 3bdn h GLU 34 CO -0.13 0.00 -0.02 0.66 0.05 0.00 0.00 179.01 179.57 3bdn h SER 35 N 0.00 0.60 0.00 3.06 4.64 -1.75 -2.20 113.55 117.90 3bdn h SER 35 Ca 0.08 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3bdn h SER 35 Cb 0.35 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3bdn h SER 35 CO -0.00 0.78 0.00 0.52 -0.87 0.00 0.00 176.83 177.26 3bdn n VAL 36 N -4.50 0.00 0.00 0.95 0.31 -0.67 -1.97 118.33 112.45 3bdn n VAL 36 Ca -0.02 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.78 3bdn n VAL 36 Cb 0.28 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 3bdn n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bdn n ALA 37 N -2.21 0.00 0.20 3.52 0.00 -0.76 0.64 120.51 121.90 3bdn n ALA 37 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3bdn n ALA 37 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 3bdn n ALA 37 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3bdn h ASP 38 N 0.00 0.00 -0.17 0.00 3.58 -0.99 -2.28 116.42 116.56 3bdn h ASP 38 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3bdn h ASP 38 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3bdn h ASP 38 CO 0.00 0.07 0.00 0.29 -2.88 0.00 0.00 179.24 176.72 3bdn n LYS 39 N -3.08 1.42 0.06 0.28 5.02 0.21 -4.49 118.16 117.57 3bdn n LYS 39 Ca 0.03 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 3bdn n LYS 39 Cb 0.56 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 3bdn n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bdn n MET 40 N 0.00 0.00 0.00 1.97 0.00 -1.23 -5.08 117.12 112.78 3bdn n MET 40 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.76 3bdn n MET 40 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 33.22 33.27 3bdn n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3bdn n GLY 41 N 2.31 0.00 1.84 3.17 0.00 -1.22 -5.17 105.19 106.11 3bdn n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bdn n GLY 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3bdn n MET 42 N 0.00 0.19 -3.07 1.61 0.00 -0.86 -5.08 117.12 109.92 3bdn n MET 42 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 57.70 57.00 3bdn n MET 42 Cb 0.00 0.76 0.01 0.00 0.00 0.00 0.00 33.22 33.99 3bdn n MET 42 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3bdn s GLY 43 N -2.93 1.96 0.14 3.17 0.00 -1.26 -3.07 107.32 105.32 3bdn s GLY 43 Ca 0.13 -1.71 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 3bdn s GLY 43 CO 0.01 -1.52 1.66 -1.61 0.00 0.00 0.00 173.10 171.64 3bdn h GLN 44 N 0.66 -0.19 0.00 2.90 -0.00 -1.80 -3.40 115.11 113.28 3bdn h GLN 44 Ca -0.40 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 3bdn h GLN 44 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.80 3bdn h GLN 44 CO 0.46 -0.13 0.00 -1.13 0.00 0.00 0.00 178.83 178.03 3bdn n SER 45 N -5.31 0.00 0.00 -0.69 3.41 -1.26 -2.57 113.62 107.20 3bdn n SER 45 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3bdn n SER 45 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3bdn n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bdn n GLY 46 N 0.00 0.60 5.26 5.00 0.00 -1.26 -4.78 105.19 110.01 3bdn n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bdn n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bdn n VAL 47 N -0.91 0.00 -0.29 1.61 0.31 -1.06 0.14 118.33 118.13 3bdn n VAL 47 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3bdn n VAL 47 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 3bdn n VAL 47 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3bdn h GLY 48 N 0.00 1.13 -0.97 2.92 0.00 -1.87 -1.12 103.07 103.16 3bdn h GLY 48 Ca 0.00 -0.47 0.37 0.00 0.00 0.00 0.00 47.33 47.23 3bdn h GLY 48 CO 0.00 0.45 0.39 0.00 0.00 0.00 0.00 176.54 177.38 3bdn n ALA 49 N -2.34 0.87 0.10 3.60 0.00 0.36 0.70 120.51 123.80 3bdn n ALA 49 Ca 0.08 1.00 -0.04 0.00 0.00 0.00 0.00 53.44 54.47 3bdn n ALA 49 Cb 0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3bdn n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3bdn h LEU 50 N 0.00 -0.25 -0.99 0.00 3.38 -1.32 2.22 115.31 118.36 3bdn h LEU 50 Ca 0.76 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.97 3bdn h LEU 50 Cb 1.93 0.06 -0.19 0.00 0.09 0.00 0.00 40.66 42.56 3bdn h LEU 50 CO -0.79 -0.04 -0.14 -0.26 0.09 0.00 0.00 178.44 177.31 3bdn h PHE 51 N -0.58 -0.33 -0.30 1.13 0.04 -0.09 0.61 116.94 117.42 3bdn h PHE 51 Ca -0.03 0.08 -0.14 0.00 2.80 0.00 0.00 57.97 60.68 3bdn h PHE 51 Cb 0.22 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3bdn h PHE 51 CO 0.05 -0.43 -0.38 -0.91 -0.60 0.00 0.00 178.31 176.04 3bdn h ASN 52 N 0.00 0.74 0.00 2.17 2.35 0.22 -3.31 115.58 117.76 3bdn h ASN 52 Ca 0.52 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3bdn h ASN 52 Cb 0.92 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3bdn h ASN 52 CO -0.98 1.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.45 3bdn n GLY 53 N 0.01 1.52 0.16 2.83 0.00 0.21 -4.92 105.19 105.00 3bdn n GLY 53 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3bdn n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bdn h ILE 54 N 0.00 0.01 -2.91 -0.61 2.04 0.33 -3.44 117.51 112.93 3bdn h ILE 54 Ca 0.00 -0.78 -0.60 0.00 1.00 0.00 0.00 64.86 64.49 3bdn h ILE 54 Cb 0.00 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 3bdn h ILE 54 CO 0.00 0.00 -0.44 0.20 0.00 0.00 0.00 178.15 177.91 3bdn s ASN 55 N -5.19 6.39 0.15 1.72 -0.87 -1.04 -4.98 114.94 111.11 3bdn s ASN 55 Ca -0.05 0.33 0.01 0.00 -1.57 0.00 0.00 52.86 51.58 3bdn s ASN 55 Cb 0.00 -1.99 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 3bdn s ASN 55 CO 0.14 0.11 0.31 0.00 -2.57 0.00 0.00 177.10 175.10 3bdn s ALA 56 N -1.60 3.92 0.25 0.60 0.00 -1.26 -3.79 121.76 119.89 3bdn s ALA 56 Ca 0.36 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 3bdn s ALA 56 Cb -0.12 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.03 3bdn s ALA 56 CO 0.27 0.57 0.77 -0.48 0.00 0.00 0.00 175.76 176.89 3bdn s LEU 57 N -3.09 4.30 -0.41 0.00 0.05 -1.26 -5.02 118.68 113.24 3bdn s LEU 57 Ca 0.36 1.47 -0.24 0.00 0.05 0.00 0.00 54.13 55.78 3bdn s LEU 57 Cb -0.11 -3.74 0.02 0.00 -2.05 0.00 0.00 46.19 40.31 3bdn s LEU 57 CO 0.28 -0.02 0.82 0.21 -0.55 0.00 0.00 176.35 177.09 3bdn s ASN 58 N -1.73 6.51 0.20 1.48 3.84 -1.26 -4.94 114.94 119.04 3bdn s ASN 58 Ca 0.46 0.19 0.10 0.00 0.21 0.00 0.00 52.86 53.82 3bdn s ASN 58 Cb -0.16 -2.41 0.70 0.00 -0.55 0.00 0.00 41.25 38.83 3bdn s ASN 58 CO 0.21 -0.85 0.88 0.00 -2.79 0.00 0.00 177.10 174.55 3bdn n ALA 59 N 6.66 0.52 -0.13 1.71 0.00 -1.26 0.20 120.51 128.21 3bdn n ALA 59 Ca 0.04 0.57 -0.09 0.00 0.00 0.00 0.00 53.44 53.96 3bdn n ALA 59 Cb 0.48 -0.55 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 3bdn n ALA 59 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3bdn h TYR 60 N 0.00 0.58 -0.35 0.00 3.20 -1.98 0.35 116.97 118.78 3bdn h TYR 60 Ca 0.45 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.18 3bdn h TYR 60 Cb 1.16 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3bdn h TYR 60 CO -0.05 0.49 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.84 3bdn h ASN 61 N 0.51 0.78 -1.01 -2.11 2.35 0.18 0.20 115.58 116.49 3bdn h ASN 61 Ca 0.14 -0.42 0.24 0.00 -0.55 0.00 0.00 56.30 55.71 3bdn h ASN 61 Cb 0.13 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.18 3bdn h ASN 61 CO -0.02 1.03 0.64 0.00 -1.65 0.00 0.00 177.43 177.43 3bdn h ALA 62 N 0.77 2.07 0.00 -0.83 0.00 -0.89 0.65 119.26 121.04 3bdn h ALA 62 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bdn h ALA 62 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3bdn h ALA 62 CO 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3bdn h ALA 63 N 1.63 1.00 0.02 0.00 0.00 0.28 -2.05 119.26 120.16 3bdn h ALA 63 Ca 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 3bdn h ALA 63 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3bdn h ALA 63 CO -0.31 0.00 -0.01 -0.07 0.00 0.00 0.00 179.25 178.86 3bdn h LEU 64 N 0.00 -0.03 -0.63 0.00 4.07 0.10 -3.36 115.31 115.46 3bdn h LEU 64 Ca 0.00 -0.23 0.12 0.00 0.08 0.00 0.00 57.88 57.85 3bdn h LEU 64 Cb 0.54 0.01 -0.12 0.00 1.08 0.00 0.00 40.66 42.16 3bdn h LEU 64 CO 0.00 0.58 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.67 3bdn h LEU 65 N -1.00 -0.74 -0.60 1.67 4.07 0.15 0.30 115.31 119.16 3bdn h LEU 65 Ca -0.00 0.20 0.05 0.00 0.08 0.00 0.00 57.88 58.21 3bdn h LEU 65 Cb 0.26 0.44 -0.05 0.00 1.08 0.00 0.00 40.66 42.39 3bdn h LEU 65 CO 0.01 -0.24 0.32 0.00 -1.08 0.00 0.00 178.44 177.44 3bdn h ALA 66 N 1.50 0.79 -0.88 1.53 0.00 -1.59 0.94 119.26 121.54 3bdn h ALA 66 Ca 0.30 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.30 3bdn h ALA 66 Cb 0.50 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3bdn h ALA 66 CO -0.67 -0.01 0.53 0.87 0.00 0.00 0.00 179.25 179.97 3bdn h LYS 67 N 0.60 0.91 -0.35 0.00 1.57 -0.57 0.63 116.57 119.36 3bdn h LYS 67 Ca 0.27 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 3bdn h LYS 67 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3bdn h LYS 67 CO -0.17 0.60 -0.32 0.82 -0.57 0.00 0.00 179.45 179.81 3bdn h ILE 68 N 0.94 1.28 0.00 1.86 1.08 0.08 -1.98 117.51 120.76 3bdn h ILE 68 Ca 0.40 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3bdn h ILE 68 Cb 0.26 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 3bdn h ILE 68 CO -0.20 0.48 0.00 0.18 -0.69 0.00 0.00 178.15 177.92 3bdn n LEU 69 N -4.07 0.00 0.00 1.44 7.99 0.31 -4.81 117.00 117.86 3bdn n LEU 69 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 3bdn n LEU 69 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 3bdn n LEU 69 CO 0.46 0.00 0.00 0.29 -1.51 0.00 0.00 177.39 176.63 3bdn n LYS 70 N -0.51 -1.64 -4.40 3.23 4.76 0.36 -4.90 118.16 115.05 3bdn n LYS 70 Ca 0.01 0.41 -0.21 0.00 -2.87 0.00 0.00 58.31 55.65 3bdn n LYS 70 Cb 0.00 -4.68 -0.09 0.00 -1.84 0.00 0.00 35.03 28.42 3bdn n LYS 70 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3bdn s VAL 71 N -1.16 0.61 0.00 -0.18 -7.23 -0.38 -4.98 120.40 107.07 3bdn s VAL 71 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3bdn s VAL 71 Cb 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3bdn s VAL 71 CO 0.00 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.25 3bdn n SER 72 N -0.91 0.00 -0.02 4.85 3.41 -1.26 -3.87 113.62 115.82 3bdn n SER 72 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.57 3bdn n SER 72 Cb 0.65 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 3bdn n SER 72 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3bdn n VAL 73 N -0.21 0.18 -0.23 -3.33 0.31 -1.26 -4.64 118.33 109.15 3bdn n VAL 73 Ca 0.00 -0.07 0.06 0.00 -0.01 0.00 0.00 64.34 64.32 3bdn n VAL 73 Cb 0.00 -0.63 0.32 0.00 -0.91 0.00 0.00 33.84 32.61 3bdn n VAL 73 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3bdn h GLU 74 N 0.00 0.82 -1.03 5.55 3.07 -1.82 3.62 114.58 124.78 3bdn h GLU 74 Ca -0.07 -0.05 0.27 0.00 -0.50 0.00 0.00 59.36 59.00 3bdn h GLU 74 Cb 1.11 -0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 28.75 3bdn h GLU 74 CO -0.01 0.54 0.68 0.93 -1.40 0.00 0.00 179.01 179.75 3bdn h GLU 75 N 0.84 0.35 0.00 2.33 5.08 -1.99 -3.19 114.58 118.00 3bdn h GLU 75 Ca 0.35 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 3bdn h GLU 75 Cb 0.28 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3bdn h GLU 75 CO -0.13 0.23 -1.59 1.97 -1.00 0.00 0.00 179.01 178.49 3bdn n PHE 76 N -4.57 0.00 -3.73 4.33 -1.74 0.16 -4.77 117.46 107.14 3bdn n PHE 76 Ca 0.25 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.98 3bdn n PHE 76 Cb 0.89 -0.39 -0.16 0.00 1.52 0.00 0.00 39.48 41.34 3bdn n PHE 76 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3bdn s SER 77 N -5.25 0.35 -0.20 5.98 0.15 1.15 -4.40 113.70 111.48 3bdn s SER 77 Ca -0.14 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.53 3bdn s SER 77 Cb 0.04 0.05 -0.20 0.00 -1.71 0.00 0.00 66.02 64.21 3bdn s SER 77 CO 0.23 -0.18 0.14 -0.81 1.20 0.00 0.00 173.24 173.82 3bdn n PRO 78 N 4.62 0.62 -0.26 5.44 -0.04 -1.26 -2.42 135.00 141.70 3bdn n PRO 78 Ca -0.18 0.43 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 3bdn n PRO 78 Cb 0.50 -1.69 0.06 0.00 -0.04 0.00 0.00 33.50 32.34 3bdn n PRO 78 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3bdn h SER 79 N -0.68 -0.95 -0.47 3.54 0.02 -1.95 1.62 113.55 114.68 3bdn h SER 79 Ca -0.44 0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3bdn h SER 79 Cb 1.56 0.55 -0.09 0.00 0.14 0.00 0.00 62.40 64.55 3bdn h SER 79 CO -0.16 -0.28 -0.45 0.40 -1.14 0.00 0.00 176.83 175.20 3bdn h ILE 80 N -0.05 0.09 -0.95 3.27 1.08 -1.97 -1.04 117.51 117.95 3bdn h ILE 80 Ca 0.33 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.91 3bdn h ILE 80 Cb 0.57 0.09 -0.14 0.00 -3.07 0.00 0.00 36.82 34.27 3bdn h ILE 80 CO -0.78 0.00 -0.48 0.00 -0.69 0.00 0.00 178.15 176.20 3bdn h ALA 81 N 0.43 -0.19 -0.12 1.87 0.00 0.22 0.59 119.26 122.05 3bdn h ALA 81 Ca 0.14 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3bdn h ALA 81 Cb 0.58 1.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 3bdn h ALA 81 CO -0.62 -0.79 -0.27 -0.09 0.00 0.00 0.00 179.25 177.48 3bdn h ARG 82 N -0.03 -0.33 -0.04 0.00 9.65 0.12 0.54 114.38 124.28 3bdn h ARG 82 Ca 0.25 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.16 3bdn h ARG 82 Cb 0.52 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 3bdn h ARG 82 CO -0.93 -0.22 -0.09 1.49 2.80 0.00 0.00 179.97 183.02 3bdn h GLU 83 N -0.35 -0.08 -0.19 0.20 4.81 0.11 0.75 114.58 119.83 3bdn h GLU 83 Ca 0.10 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3bdn h GLU 83 Cb 0.49 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3bdn h GLU 83 CO -0.32 -0.05 -0.14 0.82 -0.73 0.00 0.00 179.01 178.59 3bdn h ILE 84 N -0.08 0.00 -0.52 2.32 1.08 -0.24 -1.13 117.51 118.93 3bdn h ILE 84 Ca 0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 3bdn h ILE 84 Cb 0.10 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.79 3bdn h ILE 84 CO -0.08 0.00 -0.31 0.00 -0.69 0.00 0.00 178.15 177.07 3bdn n TYR 85 N -3.46 -0.23 -0.04 1.37 9.36 0.18 0.12 117.16 124.46 3bdn n TYR 85 Ca 0.00 0.66 -0.01 0.00 3.32 0.00 0.00 57.90 61.87 3bdn n TYR 85 Cb 0.07 -0.50 -0.01 0.00 -0.63 0.00 0.00 39.34 38.26 3bdn n TYR 85 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3bdn h GLU 86 N 0.00 -0.00 -0.13 2.98 5.08 0.15 -0.43 114.58 122.22 3bdn h GLU 86 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3bdn h GLU 86 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3bdn h GLU 86 CO -0.49 -0.00 0.82 0.52 -1.00 0.00 0.00 179.01 178.85 3bdn h MET 87 N -0.00 0.00 0.42 2.33 2.86 0.86 0.56 114.93 121.96 3bdn h MET 87 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3bdn h MET 87 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3bdn h MET 87 CO -0.08 0.00 -0.20 -0.92 1.06 0.00 0.00 176.91 176.77 3bdn h TYR 88 N 0.00 -0.53 -0.56 -0.22 5.03 -0.59 -3.25 116.97 116.85 3bdn h TYR 88 Ca 0.06 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.48 3bdn h TYR 88 Cb 1.70 0.17 -0.11 0.00 1.55 0.00 0.00 36.73 40.05 3bdn h TYR 88 CO 0.00 -0.28 -0.09 0.39 -1.32 0.00 0.00 178.16 176.86 3bdn n GLU 89 N -5.16 -0.05 -0.12 1.82 4.71 0.20 0.38 120.64 122.41 3bdn n GLU 89 Ca -0.08 0.86 0.02 0.00 -0.01 0.00 0.00 57.16 57.95 3bdn n GLU 89 Cb 0.25 -1.31 0.05 0.00 -1.01 0.00 0.00 31.44 29.42 3bdn n GLU 89 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3bdn n ALA 90 N -3.66 0.08 -1.00 0.62 0.00 -1.23 -3.56 120.51 111.77 3bdn n ALA 90 Ca 0.10 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3bdn n ALA 90 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3bdn n ALA 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3bdn n VAL 91 N -4.56 0.00 -2.20 0.00 3.14 1.21 -4.86 118.33 111.07 3bdn n VAL 91 Ca 0.05 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.02 3bdn n VAL 91 Cb 0.17 -0.10 -0.03 0.00 -1.06 0.00 0.00 33.84 32.82 3bdn n VAL 91 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3bdn s SER 92 N -1.41 6.88 -0.27 6.55 1.04 -1.23 -4.97 113.70 120.29 3bdn s SER 92 Ca 0.00 2.48 -0.22 0.00 0.48 0.00 0.00 55.95 58.68 3bdn s SER 92 Cb 0.00 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 3bdn s SER 92 CO 0.00 -0.51 0.72 -0.32 0.98 0.00 0.00 173.24 174.11 3bdn s MET 93 N -0.63 4.06 0.00 4.02 1.75 -1.25 -4.43 119.30 122.83 3bdn s MET 93 Ca 0.54 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 55.61 3bdn s MET 93 Cb -0.37 -3.68 0.00 0.00 2.84 0.00 0.00 34.83 33.62 3bdn s MET 93 CO 0.42 -0.53 0.00 0.00 -0.65 0.00 0.00 175.02 174.26 3bdn n GLN 94 N 5.94 0.00 -2.95 4.11 -0.00 -1.26 -5.10 117.38 118.11 3bdn n GLN 94 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.59 3bdn n GLN 94 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.68 3bdn n GLN 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3bdn s PRO 95 N -0.33 3.20 0.35 2.61 0.04 -1.26 -4.87 135.00 134.75 3bdn s PRO 95 Ca 0.00 -0.63 0.08 0.00 0.04 0.00 0.00 61.00 60.49 3bdn s PRO 95 Cb 0.00 -4.12 0.66 0.00 0.04 0.00 0.00 34.50 31.08 3bdn s PRO 95 CO 0.00 -1.48 1.84 0.66 0.04 0.00 0.00 177.00 178.05 3bdn h SER 96 N 9.27 0.25 0.00 6.66 4.64 -2.01 -3.45 113.55 128.91 3bdn h SER 96 Ca -0.27 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3bdn h SER 96 Cb 1.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3bdn h SER 96 CO 1.07 0.48 0.00 -0.11 -0.87 0.00 0.00 176.83 177.41 3bdn n LEU 97 N -4.19 0.00 0.00 5.97 0.00 -1.26 -4.83 117.00 112.69 3bdn n LEU 97 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 3bdn n LEU 97 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.76 3bdn n LEU 97 CO 0.39 0.00 0.00 -2.11 0.00 0.00 0.00 177.39 175.67 3bdn n ARG 98 N 0.00 0.00 -0.04 1.96 -4.01 -1.26 -3.51 116.66 109.80 3bdn n ARG 98 Ca 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.76 3bdn n ARG 98 Cb 0.00 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.40 3bdn n ARG 98 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 3bdn n SER 99 N 3.46 1.37 -0.07 2.89 7.64 -1.26 -5.01 113.62 122.64 3bdn n SER 99 Ca 0.00 0.22 -0.06 0.00 1.01 0.00 0.00 58.87 60.04 3bdn n SER 99 Cb 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.60 3bdn n SER 99 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3bdn n GLU 100 N -3.85 0.44 0.00 1.43 2.13 -1.23 -4.61 120.64 114.95 3bdn n GLU 100 Ca -0.08 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.05 3bdn n GLU 100 Cb 0.30 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3bdn n GLU 100 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3bdn n TYR 101 N -4.29 -1.56 0.00 4.31 0.53 -1.26 -4.63 117.16 110.25 3bdn n TYR 101 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 3bdn n TYR 101 Cb 0.37 0.21 0.00 0.00 -1.03 0.00 0.00 39.34 38.89 3bdn n TYR 101 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 3bdn n GLU 102 N -1.22 0.00 -1.06 -0.72 0.00 -1.26 -4.95 120.64 111.43 3bdn n GLU 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3bdn n GLU 102 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3bdn n GLU 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3bdn n TYR 103 N 0.00 -2.92 -3.05 -1.84 0.53 -1.26 -4.59 117.16 104.03 3bdn n TYR 103 Ca 0.00 1.57 -0.10 0.00 -1.02 0.00 0.00 57.90 58.35 3bdn n TYR 103 Cb 0.00 -2.62 0.03 0.00 -1.03 0.00 0.00 39.34 35.72 3bdn n TYR 103 CO 0.00 0.00 0.00 -0.35 -1.02 0.00 0.00 176.86 175.49 3bdn n PRO 104 N -1.95 0.81 -0.04 -0.72 -0.04 -1.26 -4.17 135.00 127.63 3bdn n PRO 104 Ca 0.00 -1.64 -0.06 0.00 -0.04 0.00 0.00 63.50 61.76 3bdn n PRO 104 Cb 0.25 -0.11 -0.04 0.00 -0.04 0.00 0.00 33.50 33.56 3bdn n PRO 104 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bdn n VAL 105 N -1.64 0.47 -1.07 0.52 0.31 -1.25 0.40 118.33 116.06 3bdn n VAL 105 Ca 0.08 -0.17 0.08 0.00 -0.01 0.00 0.00 64.34 64.31 3bdn n VAL 105 Cb 0.31 -0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 32.35 3bdn n VAL 105 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3bdn n PHE 106 N -2.79 -2.90 -0.90 3.52 7.35 -1.26 -4.44 117.46 116.05 3bdn n PHE 106 Ca -0.15 1.59 -0.26 0.00 -0.76 0.00 0.00 57.45 57.87 3bdn n PHE 106 Cb 0.65 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.84 3bdn n PHE 106 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3bdn n SER 107 N -3.14 5.98 -1.91 -2.13 3.41 -1.26 -4.80 113.62 109.77 3bdn n SER 107 Ca -0.04 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3bdn n SER 107 Cb 0.44 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 3bdn n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bdn n HIS 108 N 3.91 0.00 0.00 7.33 8.25 -1.26 -4.92 115.22 128.53 3bdn n HIS 108 Ca 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 3bdn n HIS 108 Cb 0.20 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3bdn n HIS 108 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3bdn n VAL 109 N 1.21 0.00 -2.51 1.59 3.14 -1.26 -5.10 118.33 115.39 3bdn n VAL 109 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 3bdn n VAL 109 Cb 0.20 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.94 3bdn n VAL 109 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3bdn s GLN 110 N -2.00 4.61 -1.06 1.45 1.03 -1.26 -4.98 119.66 117.44 3bdn s GLN 110 Ca 0.00 1.72 -0.03 0.00 0.04 0.00 0.00 55.36 57.09 3bdn s GLN 110 Cb 0.00 -3.27 0.31 0.00 0.03 0.00 0.00 33.01 30.09 3bdn s GLN 110 CO 0.00 0.10 1.59 0.00 -2.54 0.00 0.00 175.29 174.44 3bdn n ALA 111 N 2.19 5.47 0.00 2.60 0.00 -1.26 -4.72 120.51 124.79 3bdn n ALA 111 Ca 0.02 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.71 3bdn n ALA 111 Cb 0.46 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3bdn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdn n GLY 112 N 0.87 0.54 0.05 0.00 0.00 -1.26 -4.77 105.19 100.61 3bdn n GLY 112 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.35 3bdn n GLY 112 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3bdn n MET 113 N 0.00 -0.11 0.00 1.61 0.00 -1.26 -5.01 117.12 112.35 3bdn n MET 113 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.78 3bdn n MET 113 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 33.22 33.09 3bdn n MET 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3bdn n PHE 114 N -2.39 0.00 0.00 1.12 -0.00 -1.26 -4.53 117.46 110.40 3bdn n PHE 114 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3bdn n PHE 114 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.50 3bdn n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3bdn n SER 115 N 0.00 0.00 -4.48 -2.13 3.41 -1.26 -4.56 113.62 104.60 3bdn n SER 115 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3bdn n SER 115 Cb 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.17 3bdn n SER 115 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3bdn n PRO 116 N 0.00 -1.83 -1.60 4.33 -0.02 -1.26 -5.03 135.00 129.58 3bdn n PRO 116 Ca 0.00 -0.50 -0.29 0.00 -2.02 0.00 0.00 63.50 60.69 3bdn n PRO 116 Cb 0.00 -2.12 0.13 0.00 -0.02 0.00 0.00 33.50 31.48 3bdn n PRO 116 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3bdn s GLU 117 N -4.26 1.32 -0.13 -0.52 1.03 -1.26 -4.93 118.70 109.95 3bdn s GLU 117 Ca 0.66 0.27 -0.11 0.00 0.03 0.00 0.00 54.97 55.82 3bdn s GLU 117 Cb -0.23 -1.86 -0.05 0.00 -0.80 0.00 0.00 34.13 31.19 3bdn s GLU 117 CO 0.64 -2.07 0.24 -1.17 -1.33 0.00 0.00 175.26 171.57 3bdn s LEU 118 N -5.94 4.32 -0.59 1.83 2.96 -1.26 -4.76 118.68 115.24 3bdn s LEU 118 Ca 0.63 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 55.01 3bdn s LEU 118 Cb -0.14 -2.26 -0.11 0.00 0.50 0.00 0.00 46.19 44.17 3bdn s LEU 118 CO 0.53 0.25 2.43 0.54 -1.32 0.00 0.00 176.35 178.78 3bdn n ARG 119 N 2.76 1.95 0.00 1.98 1.74 -1.26 -4.91 116.66 118.92 3bdn n ARG 119 Ca -0.16 -1.19 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 3bdn n ARG 119 Cb 0.53 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3bdn n ARG 119 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3bdn n THR 120 N 3.42 0.00 0.07 0.55 -2.24 -1.26 -1.55 114.28 113.27 3bdn n THR 120 Ca 0.42 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.24 3bdn n THR 120 Cb 0.36 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.06 3bdn n THR 120 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 3bdn h PHE 121 N 0.00 0.39 -2.86 4.78 -5.15 -1.90 -3.49 116.94 108.70 3bdn h PHE 121 Ca 0.00 0.01 0.34 0.00 -0.20 0.00 0.00 57.97 58.11 3bdn h PHE 121 Cb 0.00 -0.13 -0.10 0.00 0.22 0.00 0.00 35.95 35.94 3bdn h PHE 121 CO 0.00 0.26 -0.57 0.25 -2.00 0.00 0.00 178.31 176.25 3bdn n THR 122 N -4.48 0.00 -0.39 0.88 -2.24 -0.59 -4.03 114.28 103.43 3bdn n THR 122 Ca 0.01 0.14 0.32 0.00 -2.27 0.00 0.00 64.05 62.26 3bdn n THR 122 Cb 0.08 -0.57 0.62 0.00 -2.10 0.00 0.00 70.33 68.35 3bdn n THR 122 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3bdn h LYS 123 N -1.19 0.19 -6.37 -0.78 3.11 -1.94 -3.41 116.57 106.19 3bdn h LYS 123 Ca -0.01 -0.01 -0.55 0.00 -2.81 0.00 0.00 60.65 57.27 3bdn h LYS 123 Cb 1.17 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.32 3bdn h LYS 123 CO 0.02 0.12 -0.11 0.20 -2.81 0.00 0.00 179.45 176.87 3bdn s GLY 124 N -4.02 2.35 0.04 5.01 0.00 -1.26 -5.01 107.32 104.43 3bdn s GLY 124 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3bdn s GLY 124 CO 0.81 -0.04 0.00 2.09 0.00 0.00 0.00 173.10 175.97 3bdn n ASP 125 N 0.28 0.27 -0.51 1.64 5.75 -1.26 -4.87 116.55 117.84 3bdn n ASP 125 Ca -0.02 0.06 -0.04 0.00 -0.01 0.00 0.00 54.79 54.78 3bdn n ASP 125 Cb 0.52 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 3bdn n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bdn n ALA 126 N -2.81 -0.07 0.00 2.12 0.00 -1.26 -3.81 120.51 114.68 3bdn n ALA 126 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3bdn n ALA 126 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3bdn n ALA 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bdn n GLU 127 N -0.32 0.00 -2.26 0.00 1.02 -1.26 -4.67 120.64 113.15 3bdn n GLU 127 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3bdn n GLU 127 Cb 0.32 -3.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.27 3bdn n GLU 127 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3bdn n ARG 128 N -0.99 -4.66 -3.69 3.49 1.85 -1.25 -5.00 116.66 106.41 3bdn n ARG 128 Ca 0.00 3.35 -0.21 0.00 -1.00 0.00 0.00 57.85 59.99 3bdn n ARG 128 Cb 0.00 -4.14 -0.04 0.00 -1.05 0.00 0.00 32.46 27.24 3bdn n ARG 128 CO 0.00 0.00 0.00 -0.46 -0.01 0.00 0.00 177.63 177.16 3bdn s TRP 129 N -0.51 2.76 -0.25 2.89 -0.00 -1.26 -4.92 118.94 117.64 3bdn s TRP 129 Ca 0.00 -0.44 -0.26 0.00 -0.00 0.00 0.00 56.10 55.40 3bdn s TRP 129 Cb 0.00 -2.03 0.13 0.00 -0.00 0.00 0.00 33.47 31.57 3bdn s TRP 129 CO 0.00 0.01 1.04 0.54 -0.00 0.00 0.00 176.95 178.54 3bdn s VAL 130 N -2.43 0.00 0.00 5.86 0.11 -1.26 -4.71 120.40 117.97 3bdn s VAL 130 Ca 0.45 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3bdn s VAL 130 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 3bdn s VAL 130 CO 0.27 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.80 3bdn n SER 131 N 1.84 0.00 -0.57 3.54 2.88 -1.26 -5.04 113.62 115.00 3bdn n SER 131 Ca -0.12 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.42 3bdn n SER 131 Cb 0.56 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3bdn n SER 131 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3bdn n THR 132 N 0.00 0.00 -1.90 2.46 -2.24 -1.26 -5.06 114.28 106.28 3bdn n THR 132 Ca 0.00 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 3bdn n THR 132 Cb 0.00 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 3bdn n THR 132 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3bdn n THR 133 N 0.03 -8.19 -4.45 4.28 -1.04 -1.26 -5.05 114.28 98.60 3bdn n THR 133 Ca -0.01 1.58 -0.30 0.00 -2.04 0.00 0.00 64.05 63.28 3bdn n THR 133 Cb 0.65 -4.90 -0.11 0.00 -1.82 0.00 0.00 70.33 64.15 3bdn n THR 133 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3bdn s LYS 134 N -1.04 2.04 0.00 -2.82 -0.14 -1.26 -5.13 119.74 111.39 3bdn s LYS 134 Ca -0.08 -1.03 0.00 0.00 -1.36 0.00 0.00 55.97 53.50 3bdn s LYS 134 Cb 0.01 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 3bdn s LYS 134 CO 0.22 0.52 0.00 1.17 -0.76 0.00 0.00 175.35 176.50 3bdn n LYS 135 N 1.15 1.66 -1.67 1.68 4.81 -1.26 -5.00 118.16 119.54 3bdn n LYS 135 Ca -0.15 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.75 3bdn n LYS 135 Cb 0.52 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.51 3bdn n LYS 135 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bdn n ALA 136 N -3.00 -0.11 -0.07 3.14 0.00 -1.26 -4.87 120.51 114.35 3bdn n ALA 136 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 3bdn n ALA 136 Cb 0.00 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 3bdn n ALA 136 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bdn n SER 137 N 4.53 2.51 0.00 0.00 3.41 -1.26 -4.95 113.62 117.86 3bdn n SER 137 Ca 0.23 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3bdn n SER 137 Cb 0.19 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3bdn n SER 137 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3bdn n ASP 138 N -2.70 0.00 -0.48 4.04 8.00 -1.26 0.19 116.55 124.34 3bdn n ASP 138 Ca -0.23 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.34 3bdn n ASP 138 Cb 0.83 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 42.09 3bdn n ASP 138 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3bdn n SER 139 N 6.11 1.79 -3.19 -2.24 7.64 -1.26 -5.07 113.62 117.40 3bdn n SER 139 Ca 0.00 -3.39 -0.21 0.00 1.01 0.00 0.00 58.87 56.28 3bdn n SER 139 Cb 0.00 -0.46 0.20 0.00 -1.01 0.00 0.00 64.21 62.94 3bdn n SER 139 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bdn n ALA 140 N -1.05 -3.63 0.00 -0.43 0.00 0.51 -4.40 120.51 111.50 3bdn n ALA 140 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3bdn n ALA 140 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3bdn n ALA 140 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3bdn n PHE 141 N -4.94 0.00 -2.28 0.00 -1.74 -1.26 -4.67 117.46 102.57 3bdn n PHE 141 Ca 0.09 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.66 3bdn n PHE 141 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 3bdn n PHE 141 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 3bdn s TRP 142 N -2.00 3.43 -0.08 2.97 0.23 0.16 0.35 118.94 124.00 3bdn s TRP 142 Ca 0.00 1.45 -0.08 0.00 -2.03 0.00 0.00 56.10 55.43 3bdn s TRP 142 Cb 0.00 -2.80 0.02 0.00 0.03 0.00 0.00 33.47 30.72 3bdn s TRP 142 CO 0.00 -0.49 0.23 -0.51 0.96 0.00 0.00 176.95 177.13 3bdn s LEU 143 N -4.29 1.14 0.32 2.99 1.43 0.77 -3.94 118.68 117.10 3bdn s LEU 143 Ca 0.59 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.89 3bdn s LEU 143 Cb -0.11 0.81 -0.09 0.00 0.03 0.00 0.00 46.19 46.83 3bdn s LEU 143 CO 0.35 -0.12 0.82 -1.61 0.23 0.00 0.00 176.35 176.02 3bdn s GLU 144 N -0.06 4.22 -0.28 1.70 2.02 -1.26 0.13 118.70 125.16 3bdn s GLU 144 Ca -0.02 0.93 -0.07 0.00 0.02 0.00 0.00 54.97 55.84 3bdn s GLU 144 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3bdn s GLU 144 CO 0.01 0.20 0.07 0.08 0.02 0.00 0.00 175.26 175.64 3bdn s VAL 145 N -1.84 3.98 -0.01 2.63 1.01 -0.95 -4.91 120.40 120.31 3bdn s VAL 145 Ca 0.52 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3bdn s VAL 145 Cb -0.13 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3bdn s VAL 145 CO 0.18 0.13 -0.02 -0.62 0.00 0.00 0.00 175.10 174.78 3bdn n GLU 146 N 4.87 0.03 -1.70 2.72 -0.58 -1.26 0.13 120.64 124.85 3bdn n GLU 146 Ca -0.15 0.01 -0.44 0.00 -0.42 0.00 0.00 57.16 56.17 3bdn n GLU 146 Cb 0.49 -0.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.83 3bdn n GLU 146 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bdn n GLY 147 N 1.75 1.29 1.14 0.62 0.00 -1.26 -4.63 105.19 104.11 3bdn n GLY 147 Ca -0.01 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3bdn n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bdn n ASN 148 N 3.33 2.65 0.00 1.61 3.02 -1.26 -4.65 115.26 119.97 3bdn n ASN 148 Ca 0.15 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 3bdn n ASN 148 Cb 0.33 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3bdn n ASN 148 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3bdn n SER 149 N 0.85 0.00 -4.58 6.41 7.64 -1.26 -3.55 113.62 119.13 3bdn n SER 149 Ca 0.00 0.06 -0.39 0.00 1.01 0.00 0.00 58.87 59.55 3bdn n SER 149 Cb 0.38 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 3bdn n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bdn s MET 150 N -0.25 3.87 -0.33 1.43 0.00 -1.26 -4.32 119.30 118.44 3bdn s MET 150 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 55.69 55.38 3bdn s MET 150 Cb 0.00 -3.69 0.10 0.00 0.00 0.00 0.00 34.83 31.24 3bdn s MET 150 CO 0.00 -0.26 0.11 0.99 0.00 0.00 0.00 175.02 175.85 3bdn s THR 151 N 1.83 1.08 0.13 3.16 2.01 -1.23 -4.10 115.64 118.52 3bdn s THR 151 Ca 0.09 -1.62 -0.28 0.00 0.31 0.00 0.00 61.69 60.19 3bdn s THR 151 Cb -0.16 -1.81 -0.16 0.00 0.01 0.00 0.00 72.50 70.38 3bdn s THR 151 CO 0.11 -0.69 0.58 0.00 -0.69 0.00 0.00 174.62 173.93 3bdn n ALA 152 N 4.65 -2.83 -2.26 7.40 0.00 -0.84 -4.39 120.51 122.25 3bdn n ALA 152 Ca -0.00 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 3bdn n ALA 152 Cb 0.41 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 3bdn n ALA 152 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bdn s PRO 153 N -0.67 3.02 -0.45 0.00 0.04 -1.21 -4.45 135.00 131.29 3bdn s PRO 153 Ca 0.63 -1.22 -0.35 0.00 0.04 0.00 0.00 61.00 60.09 3bdn s PRO 153 Cb -0.90 -5.30 0.05 0.00 0.04 0.00 0.00 34.50 28.39 3bdn s PRO 153 CO 0.50 -3.22 0.66 2.41 0.04 0.00 0.00 177.00 177.39 3bdn n THR 154 N 7.34 -5.11 -1.77 1.26 -1.04 -1.26 -4.09 114.28 109.62 3bdn n THR 154 Ca 0.44 0.21 -0.00 0.00 -2.04 0.00 0.00 64.05 62.66 3bdn n THR 154 Cb 0.47 -4.17 0.00 0.00 -1.82 0.00 0.00 70.33 64.81 3bdn n THR 154 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bdn n GLY 155 N -0.22 -2.86 0.00 3.41 0.00 -1.26 -5.11 105.19 99.15 3bdn n GLY 155 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3bdn n GLY 155 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bdn n SER 156 N 0.08 0.00 0.00 1.61 2.88 -1.26 -5.10 113.62 111.82 3bdn n SER 156 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3bdn n SER 156 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 3bdn n SER 156 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3bdn n LYS 157 N 0.00 0.00 0.00 -1.46 3.00 -1.26 -5.04 118.16 113.40 3bdn n LYS 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3bdn n LYS 157 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 34.77 3bdn n LYS 157 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3bdn n PRO 158 N 0.00 3.22 0.00 1.64 -0.05 -1.26 -5.10 135.00 133.45 3bdn n PRO 158 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3bdn n PRO 158 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3bdn n PRO 158 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3bdn n SER 159 N 0.00 0.00 -0.28 3.54 2.88 -1.26 -4.45 113.62 114.05 3bdn n SER 159 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3bdn n SER 159 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3bdn n SER 159 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3bdn n PHE 160 N 0.00 0.00 -1.16 0.66 3.01 -1.26 -3.98 117.46 114.72 3bdn n PHE 160 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3bdn n PHE 160 Cb 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 3bdn n PHE 160 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3bdn n PRO 161 N -0.20 1.88 -1.41 -1.08 -0.04 -1.26 -4.34 135.00 128.54 3bdn n PRO 161 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 3bdn n PRO 161 Cb 0.09 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.64 3bdn n PRO 161 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bdn s ASP 162 N -1.00 4.47 0.00 3.54 2.15 -1.26 -3.82 116.67 120.75 3bdn s ASP 162 Ca 0.00 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.03 3bdn s ASP 162 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 3bdn s ASP 162 CO 0.00 -2.06 0.00 0.61 -0.17 0.00 0.00 175.17 173.55 3bdn n GLY 163 N -0.43 1.37 2.14 2.66 0.00 0.12 -4.88 105.19 106.16 3bdn n GLY 163 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3bdn n GLY 163 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3bdn n MET 164 N -0.86 -2.76 -4.85 1.61 1.56 -1.25 -4.44 117.12 106.13 3bdn n MET 164 Ca 0.00 -0.80 -0.27 0.00 -0.27 0.00 0.00 57.70 56.36 3bdn n MET 164 Cb 0.00 -1.19 -0.17 0.00 2.15 0.00 0.00 33.22 34.02 3bdn n MET 164 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3bdn s LEU 165 N 0.00 1.85 0.33 -0.89 1.43 -1.26 -2.24 118.68 117.90 3bdn s LEU 165 Ca 0.37 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3bdn s LEU 165 Cb -0.06 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 3bdn s LEU 165 CO 0.31 0.11 -0.07 0.27 0.23 0.00 0.00 176.35 177.20 3bdn s ILE 166 N 0.38 1.99 -0.08 -0.59 -4.36 0.12 -3.46 121.20 115.20 3bdn s ILE 166 Ca -0.13 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.12 3bdn s ILE 166 Cb -0.15 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.96 3bdn s ILE 166 CO 0.05 -0.21 -0.08 -0.22 0.24 0.00 0.00 174.94 174.72 3bdn s LEU 167 N -3.56 1.31 -0.01 0.37 2.96 -1.02 0.27 118.68 119.00 3bdn s LEU 167 Ca 0.32 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3bdn s LEU 167 Cb 0.04 -0.73 -0.00 0.00 0.50 0.00 0.00 46.19 45.99 3bdn s LEU 167 CO 0.15 -0.06 0.15 0.58 -1.32 0.00 0.00 176.35 175.85 3bdn h VAL 168 N 6.11 0.00 -4.75 1.68 2.07 0.56 -0.78 116.25 121.14 3bdn h VAL 168 Ca -0.31 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3bdn h VAL 168 Cb 1.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3bdn h VAL 168 CO 0.43 0.00 -0.02 -0.67 0.02 0.00 0.00 177.57 177.32 3bdn n ASP 169 N -2.48 -2.72 0.05 0.57 -0.08 -1.26 -0.20 116.55 110.42 3bdn n ASP 169 Ca -0.00 1.00 0.11 0.00 -1.51 0.00 0.00 54.79 54.39 3bdn n ASP 169 Cb 0.01 -1.59 -0.03 0.00 2.34 0.00 0.00 41.12 41.86 3bdn n ASP 169 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3bdn n PRO 170 N 2.18 0.49 -0.81 -0.67 -0.05 -1.26 -0.09 135.00 134.80 3bdn n PRO 170 Ca -0.00 -0.00 -0.09 0.00 -0.05 0.00 0.00 63.50 63.36 3bdn n PRO 170 Cb 0.00 -1.67 -0.05 0.00 -0.05 0.00 0.00 33.50 31.73 3bdn n PRO 170 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3bdn n GLU 171 N -2.30 1.56 -4.27 0.54 1.02 -1.26 -4.49 120.64 111.44 3bdn n GLU 171 Ca -0.00 -0.75 -0.23 0.00 -0.02 0.00 0.00 57.16 56.16 3bdn n GLU 171 Cb 0.51 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 3bdn n GLU 171 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3bdn s GLN 172 N -0.09 2.38 -0.40 3.49 -1.52 -1.26 -5.04 119.66 117.22 3bdn s GLN 172 Ca 0.31 -1.37 -0.22 0.00 -1.95 0.00 0.00 55.36 52.13 3bdn s GLN 172 Cb 0.17 -2.22 0.02 0.00 -0.22 0.00 0.00 33.01 30.76 3bdn s GLN 172 CO -0.02 0.36 0.74 0.00 -0.25 0.00 0.00 175.29 176.12 3bdn s ALA 173 N -2.30 3.37 -0.24 6.09 0.00 -1.26 -4.76 121.76 122.67 3bdn s ALA 173 Ca 0.32 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3bdn s ALA 173 Cb -0.07 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3bdn s ALA 173 CO 0.21 -1.65 -0.05 0.14 0.00 0.00 0.00 175.76 174.41 3bdn s VAL 174 N 3.06 3.12 0.23 0.00 -7.23 -1.26 -4.89 120.40 113.43 3bdn s VAL 174 Ca 0.28 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 3bdn s VAL 174 Cb -0.13 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 3bdn s VAL 174 CO 0.19 0.30 0.01 -1.61 -0.31 0.00 0.00 175.10 173.68 3bdn s GLU 175 N 1.40 1.33 0.39 4.82 0.41 -1.26 -5.12 118.70 120.67 3bdn s GLU 175 Ca 0.03 -1.68 -0.26 0.00 -0.41 0.00 0.00 54.97 52.65 3bdn s GLU 175 Cb -0.15 -0.55 -0.11 0.00 -1.78 0.00 0.00 34.13 31.54 3bdn s GLU 175 CO -0.04 -0.13 1.24 -0.35 -0.49 0.00 0.00 175.26 175.50 3bdn n PRO 176 N -0.41 1.92 -0.79 0.39 -0.04 -1.26 -2.98 135.00 131.83 3bdn n PRO 176 Ca -0.05 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3bdn n PRO 176 Cb 0.64 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3bdn n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bdn n GLY 177 N 0.85 0.77 3.62 0.55 0.00 0.46 -5.01 105.19 106.43 3bdn n GLY 177 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3bdn n GLY 177 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bdn s ASP 178 N -2.57 4.43 -0.02 1.61 -0.00 -1.16 -4.91 116.67 114.05 3bdn s ASP 178 Ca 0.00 -0.64 -0.02 0.00 -0.00 0.00 0.00 52.55 51.89 3bdn s ASP 178 Cb 0.00 -0.79 -0.04 0.00 -0.00 0.00 0.00 42.92 42.09 3bdn s ASP 178 CO 0.00 0.03 0.14 -0.36 -0.00 0.00 0.00 175.17 174.98 3bdn s PHE 179 N -2.16 3.44 0.04 4.23 0.40 -1.26 -1.28 117.98 121.40 3bdn s PHE 179 Ca 0.30 0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.82 3bdn s PHE 179 Cb -0.07 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.70 3bdn s PHE 179 CO 0.18 0.62 0.55 0.00 0.70 0.00 0.00 175.22 177.27 3bdn s ILE 181 N -2.21 0.67 0.34 0.00 1.09 -1.19 -0.53 121.20 119.36 3bdn s ILE 181 Ca 0.13 -1.58 0.07 0.00 -1.10 0.00 0.00 60.65 58.16 3bdn s ILE 181 Cb -0.01 -1.24 -0.03 0.00 -1.06 0.00 0.00 42.46 40.12 3bdn s ILE 181 CO 0.01 -0.65 0.25 0.00 -0.10 0.00 0.00 174.94 174.45 3bdn s ALA 182 N -2.63 2.05 -0.05 9.38 0.00 -1.21 -2.10 121.76 127.21 3bdn s ALA 182 Ca 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.08 3bdn s ALA 182 Cb -0.01 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.42 3bdn s ALA 182 CO -0.02 -0.60 -0.02 0.50 0.00 0.00 0.00 175.76 175.62 3bdn s ARG 183 N -3.51 2.85 0.01 0.00 6.06 0.54 -3.52 118.95 121.38 3bdn s ARG 183 Ca 0.37 -0.52 -0.03 0.00 -2.50 0.00 0.00 55.73 53.06 3bdn s ARG 183 Cb 0.02 -2.70 -0.01 0.00 0.06 0.00 0.00 34.95 32.33 3bdn s ARG 183 CO 0.25 0.67 0.04 -0.51 -2.50 0.00 0.00 175.30 173.25 3bdn s LEU 184 N -1.11 1.93 -0.44 -0.88 1.43 -0.74 -3.49 118.68 115.39 3bdn s LEU 184 Ca 0.15 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3bdn s LEU 184 Cb -0.11 0.31 0.00 0.00 0.03 0.00 0.00 46.19 46.42 3bdn s LEU 184 CO 0.05 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.96 3bdn n GLY 185 N 1.77 0.39 3.17 -3.19 0.00 -1.26 0.75 105.19 106.82 3bdn n GLY 185 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3bdn n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdn n GLY 186 N 0.33 2.90 0.19 -0.02 0.00 -1.26 -4.76 105.19 102.56 3bdn n GLY 186 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3bdn n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bdn n ASP 187 N 0.00 2.68 -4.77 1.61 4.64 0.06 -5.11 116.55 115.67 3bdn n ASP 187 Ca 0.00 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 53.02 3bdn n ASP 187 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 3bdn n ASP 187 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3bdn s GLU 188 N -1.82 4.05 0.08 -0.67 8.01 0.23 -4.76 118.70 123.82 3bdn s GLU 188 Ca 0.00 1.97 0.05 0.00 0.01 0.00 0.00 54.97 57.00 3bdn s GLU 188 Cb 0.00 -2.74 -0.04 0.00 -4.31 0.00 0.00 34.13 27.04 3bdn s GLU 188 CO 0.00 -0.36 -0.05 -0.59 0.01 0.00 0.00 175.26 174.27 3bdn s PHE 189 N -1.33 2.89 -0.20 1.61 -0.12 -1.26 -1.79 117.98 117.77 3bdn s PHE 189 Ca 0.56 -0.07 -0.17 0.00 -0.05 0.00 0.00 56.93 57.20 3bdn s PHE 189 Cb -0.34 -1.51 0.05 0.00 -0.63 0.00 0.00 43.02 40.59 3bdn s PHE 189 CO 0.43 0.45 0.52 -0.08 -0.05 0.00 0.00 175.22 176.49 3bdn s THR 190 N -1.23 -0.00 -0.35 -4.49 -1.32 -1.23 -5.01 115.64 102.01 3bdn s THR 190 Ca 0.23 0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.58 3bdn s THR 190 Cb -0.11 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 3bdn s THR 190 CO 0.15 0.01 0.29 0.12 -2.21 0.00 0.00 174.62 172.98 3bdn s PHE 191 N 0.56 3.22 0.32 9.09 2.19 -1.26 -3.30 117.98 128.80 3bdn s PHE 191 Ca -0.02 -0.18 -0.06 0.00 0.33 0.00 0.00 56.93 57.00 3bdn s PHE 191 Cb -0.04 -2.57 0.01 0.00 -1.31 0.00 0.00 43.02 39.11 3bdn s PHE 191 CO -0.03 -0.41 0.50 0.15 1.83 0.00 0.00 175.22 177.26 3bdn s LYS 192 N 1.84 1.85 0.03 10.12 1.02 0.31 -4.42 119.74 130.48 3bdn s LYS 192 Ca 0.08 -1.60 -0.08 0.00 0.02 0.00 0.00 55.97 54.39 3bdn s LYS 192 Cb -0.17 0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 3bdn s LYS 192 CO 0.11 -0.78 0.33 0.21 -0.92 0.00 0.00 175.35 174.30 3bdn s LYS 193 N -3.22 3.67 -0.25 1.68 2.20 -0.21 -1.66 119.74 121.96 3bdn s LYS 193 Ca 0.27 0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.87 3bdn s LYS 193 Cb -0.01 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 3bdn s LYS 193 CO 0.16 0.62 0.06 -1.17 -0.36 0.00 0.00 175.35 174.66 3bdn s LEU 194 N -1.76 3.45 -0.01 5.43 1.98 -0.40 -2.88 118.68 124.49 3bdn s LEU 194 Ca 0.29 -0.28 -0.00 0.00 -2.89 0.00 0.00 54.13 51.25 3bdn s LEU 194 Cb -0.14 -1.91 0.01 0.00 0.66 0.00 0.00 46.19 44.82 3bdn s LEU 194 CO 0.16 -0.05 0.01 0.27 -1.89 0.00 0.00 176.35 174.86 3bdn s ILE 195 N 1.59 -0.02 -0.84 6.68 -4.36 -0.92 -0.40 121.20 122.93 3bdn s ILE 195 Ca 0.06 0.08 -0.20 0.00 -0.26 0.00 0.00 60.65 60.33 3bdn s ILE 195 Cb -0.15 -0.04 0.11 0.00 1.25 0.00 0.00 42.46 43.63 3bdn s ILE 195 CO 0.03 0.03 1.05 0.00 0.24 0.00 0.00 174.94 176.29 3bdn s ARG 196 N 0.38 3.44 -0.17 0.37 1.70 -1.21 -1.06 118.95 122.39 3bdn s ARG 196 Ca -0.03 -1.51 -0.08 0.00 -0.47 0.00 0.00 55.73 53.65 3bdn s ARG 196 Cb -0.05 -4.70 -0.04 0.00 -0.57 0.00 0.00 34.95 29.59 3bdn s ARG 196 CO -0.01 -1.76 0.09 0.20 -1.08 0.00 0.00 175.30 172.73 3bdn s GLY 197 N 3.64 1.97 -0.45 3.88 0.00 0.28 -4.05 107.32 112.59 3bdn s GLY 197 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3bdn s GLY 197 CO -0.04 -0.03 0.00 1.44 0.00 0.00 0.00 173.10 174.48 3bdn n SER 198 N 3.22 -1.56 -2.37 1.64 7.64 -1.26 0.71 113.62 121.63 3bdn n SER 198 Ca -0.17 0.22 -0.06 0.00 1.01 0.00 0.00 58.87 59.87 3bdn n SER 198 Cb 0.53 -1.62 0.03 0.00 -1.01 0.00 0.00 64.21 62.13 3bdn n SER 198 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bdn n GLY 199 N -0.30 -0.26 3.66 0.23 0.00 -1.26 -5.10 105.19 102.17 3bdn n GLY 199 Ca -0.05 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3bdn n GLY 199 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bdn s GLN 200 N -3.58 1.61 -0.22 1.61 0.74 0.22 -5.08 119.66 114.96 3bdn s GLN 200 Ca 0.19 -1.16 -0.29 0.00 0.05 0.00 0.00 55.36 54.15 3bdn s GLN 200 Cb -0.02 0.51 0.01 0.00 1.10 0.00 0.00 33.01 34.60 3bdn s GLN 200 CO 0.38 -0.69 1.02 0.54 -0.55 0.00 0.00 175.29 175.99 3bdn s VAL 201 N -3.98 4.70 0.10 1.34 0.11 -1.26 -0.56 120.40 120.86 3bdn s VAL 201 Ca 0.19 2.00 0.04 0.00 -2.93 0.00 0.00 61.98 61.27 3bdn s VAL 201 Cb -0.02 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 3bdn s VAL 201 CO 0.08 -0.16 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.23 3bdn s PHE 202 N 3.10 1.08 -0.23 1.54 0.40 -0.23 -4.37 117.98 119.27 3bdn s PHE 202 Ca 0.44 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3bdn s PHE 202 Cb -0.15 -0.59 0.06 0.00 0.51 0.00 0.00 43.02 42.85 3bdn s PHE 202 CO 0.07 0.00 -0.06 -0.51 0.70 0.00 0.00 175.22 175.42 3bdn s LEU 203 N -2.56 2.59 0.05 -0.37 1.43 0.07 -2.16 118.68 117.73 3bdn s LEU 203 Ca 0.07 -1.15 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 3bdn s LEU 203 Cb -0.02 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3bdn s LEU 203 CO -0.00 -0.22 -0.11 0.00 0.23 0.00 0.00 176.35 176.24 3bdn s GLN 204 N 1.38 2.25 -0.03 1.70 -2.07 -1.14 -2.32 119.66 119.42 3bdn s GLN 204 Ca -0.06 -0.91 -0.03 0.00 -1.82 0.00 0.00 55.36 52.54 3bdn s GLN 204 Cb -0.19 -2.33 -0.04 0.00 -1.09 0.00 0.00 33.01 29.36 3bdn s GLN 204 CO -0.06 0.55 0.13 -1.25 -1.32 0.00 0.00 175.29 173.34 3bdn s PRO 205 N -1.71 3.29 0.00 9.60 0.04 -1.26 -1.04 135.00 143.92 3bdn s PRO 205 Ca 0.18 -0.34 -0.00 0.00 0.04 0.00 0.00 61.00 60.87 3bdn s PRO 205 Cb -0.11 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 3bdn s PRO 205 CO 0.09 0.69 0.69 1.28 0.04 0.00 0.00 177.00 179.79 3bdn n LEU 206 N 1.29 1.01 -2.97 -3.56 7.99 -1.26 -4.28 117.00 115.22 3bdn n LEU 206 Ca -0.14 -0.70 -0.15 0.00 -0.01 0.00 0.00 56.01 55.02 3bdn n LEU 206 Cb 0.53 -0.24 -0.01 0.00 -0.11 0.00 0.00 43.42 43.59 3bdn n LEU 206 CO 0.39 0.07 -0.03 -3.20 -1.51 0.00 0.00 177.39 173.11 3bdn n ASN 207 N 2.34 -1.77 -0.27 -1.43 2.85 -1.26 -1.98 115.26 113.74 3bdn n ASN 207 Ca 0.04 -2.93 0.33 0.00 -0.11 0.00 0.00 54.58 51.91 3bdn n ASN 207 Cb 0.13 0.77 0.70 0.00 1.24 0.00 0.00 39.78 42.62 3bdn n ASN 207 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3bdn h PRO 208 N 4.40 0.00 0.00 1.20 0.13 -1.89 0.13 132.00 135.97 3bdn h PRO 208 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3bdn h PRO 208 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3bdn h PRO 208 CO 0.32 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.03 3bdn n GLN 209 N -3.85 0.00 -3.99 0.86 -0.06 -1.26 -4.51 117.38 104.57 3bdn n GLN 209 Ca 0.24 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 55.14 3bdn n GLN 209 Cb 1.29 -0.90 -0.07 0.00 -4.06 0.00 0.00 30.24 26.51 3bdn n GLN 209 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 3bdn s TYR 210 N -0.87 0.45 0.00 3.69 2.02 0.44 -5.15 117.35 117.92 3bdn s TYR 210 Ca 0.00 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 3bdn s TYR 210 Cb 0.00 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.55 3bdn s TYR 210 CO 0.00 -0.82 0.00 -0.35 -1.57 0.00 0.00 175.55 172.81 3bdn n PRO 211 N -0.29 3.60 -3.15 -1.71 -0.04 -1.26 -4.99 135.00 127.16 3bdn n PRO 211 Ca -0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 3bdn n PRO 211 Cb 0.63 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.09 3bdn n PRO 211 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3bdn s MET 212 N 3.14 0.29 0.08 0.54 1.75 -1.26 -4.46 119.30 119.38 3bdn s MET 212 Ca 0.00 0.30 -0.31 0.00 -1.25 0.00 0.00 55.69 54.44 3bdn s MET 212 Cb 0.00 0.14 -0.07 0.00 2.84 0.00 0.00 34.83 37.74 3bdn s MET 212 CO 0.00 -0.53 1.36 0.42 -0.65 0.00 0.00 175.02 175.63 3bdn s ILE 213 N 2.91 3.49 0.00 10.11 1.01 -0.98 -4.84 121.20 132.91 3bdn s ILE 213 Ca 0.20 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.90 3bdn s ILE 213 Cb -0.05 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3bdn s ILE 213 CO -0.23 0.06 0.00 -2.65 0.00 0.00 0.00 174.94 172.12 3bdn n PRO 214 N 4.23 0.00 -0.31 2.79 -0.02 -1.26 -0.75 135.00 139.68 3bdn n PRO 214 Ca 0.11 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.52 3bdn n PRO 214 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.85 3bdn n PRO 214 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3bdn n GLU 217 N 0.00 -0.30 -0.04 -0.52 0.00 -1.26 -4.38 120.64 114.14 3bdn n GLU 217 Ca 0.00 1.12 0.12 0.00 0.00 0.00 0.00 57.16 58.40 3bdn n GLU 217 Cb 0.00 -1.65 0.46 0.00 0.00 0.00 0.00 31.44 30.26 3bdn n GLU 217 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3bdn n SER 218 N -4.95 1.49 -4.77 4.31 2.88 -1.26 -4.87 113.62 106.46 3bdn n SER 218 Ca 0.02 -1.59 -0.39 0.00 -1.33 0.00 0.00 58.87 55.59 3bdn n SER 218 Cb 0.21 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.58 3bdn n SER 218 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bdn s SER 220 N -1.10 2.14 1.17 0.00 1.04 -1.23 -4.99 113.70 110.73 3bdn s SER 220 Ca 0.50 -0.35 -0.13 0.00 0.48 0.00 0.00 55.95 56.46 3bdn s SER 220 Cb -0.29 -0.92 0.28 0.00 0.10 0.00 0.00 66.02 65.19 3bdn s SER 220 CO 0.37 -0.03 1.01 0.55 0.98 0.00 0.00 173.24 176.12 3bdn n VAL 221 N 4.37 0.00 0.00 5.02 3.14 -1.26 -0.34 118.33 129.26 3bdn n VAL 221 Ca -0.18 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 3bdn n VAL 221 Cb 0.51 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 3bdn n VAL 221 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3bdn n VAL 222 N -4.96 0.00 0.00 1.55 3.14 -0.89 -4.66 118.33 112.52 3bdn n VAL 222 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3bdn n VAL 222 Cb 0.54 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 3bdn n VAL 222 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3bdn n GLY 223 N 1.44 0.91 3.24 7.55 0.00 -1.25 -4.59 105.19 112.49 3bdn n GLY 223 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3bdn n GLY 223 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdn s LYS 224 N -2.00 3.54 0.00 1.61 2.20 0.87 -3.20 119.74 122.77 3bdn s LYS 224 Ca 0.00 -2.89 0.00 0.00 -0.36 0.00 0.00 55.97 52.72 3bdn s LYS 224 Cb 0.00 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 3bdn s LYS 224 CO 0.00 -1.25 0.00 0.28 -0.36 0.00 0.00 175.35 174.02 3bdn n VAL 225 N 3.13 0.00 -0.07 4.02 0.31 0.72 -4.65 118.33 121.80 3bdn n VAL 225 Ca 0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3bdn n VAL 225 Cb 0.41 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.27 3bdn n VAL 225 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3bdn n ILE 226 N 0.00 0.80 -3.74 2.52 -0.00 -0.32 -4.73 119.36 113.90 3bdn n ILE 226 Ca 0.00 -0.34 -0.04 0.00 -0.00 0.00 0.00 62.75 62.36 3bdn n ILE 226 Cb 0.00 -0.94 -0.01 0.00 -0.00 0.00 0.00 39.64 38.69 3bdn n ILE 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3bdn n ALA 227 N -2.81 -0.08 -2.50 -1.39 0.00 -1.26 -5.00 120.51 107.47 3bdn n ALA 227 Ca -0.24 -0.48 -0.20 0.00 0.00 0.00 0.00 53.44 52.53 3bdn n ALA 227 Cb 0.78 0.39 -0.11 0.00 0.00 0.00 0.00 19.45 20.51 3bdn n ALA 227 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bdn s SER 228 N -1.64 2.19 0.00 0.00 1.04 -1.22 -2.44 113.70 111.63 3bdn s SER 228 Ca 0.09 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3bdn s SER 228 Cb -0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3bdn s SER 228 CO 0.06 -0.09 0.00 1.67 0.98 0.00 0.00 173.24 175.86 3bdn n GLN 229 N 0.59 1.73 -0.04 4.02 -0.06 -1.24 -4.98 117.38 117.41 3bdn n GLN 229 Ca -0.16 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 54.85 3bdn n GLN 229 Cb 0.56 -0.66 -0.00 0.00 -4.06 0.00 0.00 30.24 26.08 3bdn n GLN 229 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 3bdn n TRP 230 N -0.91 -1.52 0.00 3.69 7.02 -1.26 -4.95 117.44 119.51 3bdn n TRP 230 Ca 0.00 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 3bdn n TRP 230 Cb 0.14 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 3bdn n TRP 230 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3bdn n PRO 231 N -0.60 0.00 0.00 -0.99 -0.04 -1.26 -4.71 135.00 127.40 3bdn n PRO 231 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3bdn n PRO 231 Cb 0.02 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 3bdn n PRO 231 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3bdn n GLU 232 N -1.27 0.00 -0.09 0.54 4.07 -1.26 -4.91 120.64 117.71 3bdn n GLU 232 Ca 0.00 0.00 0.21 0.00 -0.06 0.00 0.00 57.16 57.31 3bdn n GLU 232 Cb 0.00 0.00 0.33 0.00 -0.06 0.00 0.00 31.44 31.71 3bdn n GLU 232 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3bdn n GLU 233 N 0.00 0.02 0.00 5.31 4.71 -1.26 0.44 120.64 129.86 3bdn n GLU 233 Ca 0.00 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.15 3bdn n GLU 233 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 31.44 27.91 3bdn n GLU 233 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3bdn n THR 234 N -3.05 0.08 -3.32 2.62 -2.24 -1.26 -4.00 114.28 103.11 3bdn n THR 234 Ca 0.18 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3bdn n THR 234 Cb 1.40 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 3bdn n THR 234 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3bdn s PHE 235 N -1.85 -0.90 0.00 4.78 0.40 0.17 -5.17 117.98 115.41 3bdn s PHE 235 Ca 0.00 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 3bdn s PHE 235 Cb 0.00 -0.21 0.00 0.00 0.51 0.00 0.00 43.02 43.32 3bdn s PHE 235 CO 0.00 -0.98 0.00 0.41 0.70 0.00 0.00 175.22 175.35