#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3b s THR 1 N 0.00 3.73 -0.07 6.66 -4.23 -1.26 -5.02 115.64 115.45 3h3b s THR 1 Ca 0.00 1.56 -0.19 0.00 -1.18 0.00 0.00 61.69 61.88 3h3b s THR 1 Cb 0.00 -3.99 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 3h3b s THR 1 CO 0.00 0.30 0.51 -1.58 -0.54 0.00 0.00 174.62 173.31 3h3b s GLN 2 N -0.67 4.28 0.07 3.99 2.00 -1.26 -5.01 119.66 123.06 3h3b s GLN 2 Ca 0.48 0.55 0.09 0.00 -2.00 0.00 0.00 55.36 54.48 3h3b s GLN 2 Cb -0.30 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 30.09 3h3b s GLN 2 CO 0.37 0.28 -0.24 0.08 -0.50 0.00 0.00 175.29 175.28 3h3b s VAL 3 N 0.18 2.00 0.21 1.34 1.01 -1.26 -0.78 120.40 123.09 3h3b s VAL 3 Ca 0.28 -1.46 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 3h3b s VAL 3 Cb -0.16 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3h3b s VAL 3 CO 0.13 0.20 0.35 0.00 0.00 0.00 0.00 175.10 175.79 3h3b s THR 5 N -4.02 2.88 0.00 0.00 -1.32 -1.26 0.03 115.64 111.94 3h3b s THR 5 Ca 0.23 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 3h3b s THR 5 Cb 0.02 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.80 3h3b s THR 5 CO 0.06 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 3h3b n GLY 6 N -2.82 3.58 3.50 6.08 0.00 -1.18 -4.63 105.19 109.71 3h3b n GLY 6 Ca 0.07 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 3h3b n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h3b s THR 7 N 1.83 1.72 -0.08 2.61 -4.23 -0.30 -4.79 115.64 112.40 3h3b s THR 7 Ca 0.00 -2.08 0.17 0.00 -1.18 0.00 0.00 61.69 58.61 3h3b s THR 7 Cb 0.00 -2.70 0.37 0.00 1.34 0.00 0.00 72.50 71.51 3h3b s THR 7 CO 0.00 -0.14 1.17 0.47 -0.54 0.00 0.00 174.62 175.58 3h3b n ASP 8 N -0.74 1.25 0.16 3.99 8.00 -1.26 -4.15 116.55 123.80 3h3b n ASP 8 Ca -0.04 -2.75 0.06 0.00 0.71 0.00 0.00 54.79 52.77 3h3b n ASP 8 Cb 0.65 -0.38 0.07 0.00 -0.02 0.00 0.00 41.12 41.44 3h3b n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3b h MET 9 N 0.80 0.00 0.00 -1.24 -0.00 -1.97 -3.49 114.93 109.04 3h3b h MET 9 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 3h3b h MET 9 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.06 3h3b h MET 9 CO 0.05 0.29 0.00 1.63 -0.00 0.00 0.00 176.91 178.88 3h3b n LYS 10 N -3.14 0.00 -0.11 -0.10 5.02 -1.26 -1.18 118.16 117.40 3h3b n LYS 10 Ca 0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.32 3h3b n LYS 10 Cb 0.66 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.73 3h3b n LYS 10 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h3b n LEU 11 N 0.00 1.25 -4.75 -0.35 4.77 -1.26 -4.92 117.00 111.75 3h3b n LEU 11 Ca 0.00 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 54.93 3h3b n LEU 11 Cb 0.00 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 3h3b n LEU 11 CO 0.00 0.24 1.26 -0.60 -1.33 0.00 0.00 177.39 176.96 3h3b s ARG 12 N -1.54 4.13 0.24 3.23 3.52 -0.32 -4.99 118.95 123.21 3h3b s ARG 12 Ca 0.09 2.57 -0.28 0.00 -0.13 0.00 0.00 55.73 57.97 3h3b s ARG 12 Cb 0.06 -3.03 -0.09 0.00 -1.56 0.00 0.00 34.95 30.32 3h3b s ARG 12 CO 0.04 -0.64 0.91 -0.51 -0.81 0.00 0.00 175.30 174.29 3h3b s LEU 13 N -0.27 4.59 0.36 -0.88 1.02 -1.26 -5.00 118.68 117.23 3h3b s LEU 13 Ca 0.65 1.88 -0.25 0.00 0.02 0.00 0.00 54.13 56.42 3h3b s LEU 13 Cb -0.48 -3.63 -0.09 0.00 0.02 0.00 0.00 46.19 42.01 3h3b s LEU 13 CO 0.46 0.13 1.02 -2.84 0.02 0.00 0.00 176.35 175.13 3h3b s PRO 14 N -1.33 4.36 0.10 1.29 0.02 -1.26 -4.98 135.00 133.20 3h3b s PRO 14 Ca 0.42 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 62.74 3h3b s PRO 14 Cb -0.24 -2.70 -0.07 0.00 0.02 0.00 0.00 34.50 31.51 3h3b s PRO 14 CO 0.30 0.04 1.59 0.00 -0.33 0.00 0.00 177.00 178.59 3h3b h ALA 15 N 2.87 0.36 -3.54 -1.55 0.00 -2.01 -3.44 119.26 111.95 3h3b h ALA 15 Ca -0.48 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 3h3b h ALA 15 Cb 1.21 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.58 3h3b h ALA 15 CO 0.64 0.02 -0.70 0.45 0.00 0.00 0.00 179.25 179.66 3h3b s SER 16 N -5.83 0.01 0.45 0.00 0.15 -1.26 -5.05 113.70 102.17 3h3b s SER 16 Ca -0.14 0.08 0.19 0.00 0.70 0.00 0.00 55.95 56.78 3h3b s SER 16 Cb 0.08 0.01 1.07 0.00 -1.71 0.00 0.00 66.02 65.47 3h3b s SER 16 CO 0.74 -0.08 1.96 1.55 1.20 0.00 0.00 173.24 178.61 3h3b h PRO 17 N 6.82 0.00 -0.21 5.44 0.13 -1.94 -1.53 132.00 140.71 3h3b h PRO 17 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 3h3b h PRO 17 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h3b h PRO 17 CO 0.48 0.22 -0.19 0.93 -0.23 0.00 0.00 178.00 179.20 3h3b h GLU 18 N 0.00 0.50 0.00 0.86 5.08 -1.99 -1.66 114.58 117.37 3h3b h GLU 18 Ca -0.00 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 3h3b h GLU 18 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3h3b h GLU 18 CO 0.03 0.83 -0.72 1.79 -1.00 0.00 0.00 179.01 179.94 3h3b h THR 19 N 0.19 1.51 0.25 1.13 1.35 -1.97 -2.80 112.91 112.57 3h3b h THR 19 Ca 0.04 -2.48 -0.01 0.00 -0.55 0.00 0.00 66.41 63.41 3h3b h THR 19 Cb 0.73 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3h3b h THR 19 CO 0.05 0.71 -0.12 -0.74 -0.25 0.00 0.00 175.52 175.16 3h3b h HIS 20 N 0.00 -0.31 -0.57 4.73 6.17 -1.22 -1.05 115.15 122.90 3h3b h HIS 20 Ca -0.01 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.04 3h3b h HIS 20 Cb 1.28 0.10 -0.03 0.00 2.52 0.00 0.00 27.41 31.29 3h3b h HIS 20 CO 0.00 -0.05 0.23 1.25 0.71 0.00 0.00 177.93 180.07 3h3b h LEU 21 N -0.55 0.74 -0.52 0.26 5.85 -1.38 -2.41 115.31 117.30 3h3b h LEU 21 Ca -0.03 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3h3b h LEU 21 Cb 0.40 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3h3b h LEU 21 CO 0.06 0.66 0.07 -0.78 -0.34 0.00 0.00 178.44 178.11 3h3b h ASP 22 N 0.81 0.84 -0.31 1.25 3.58 -1.44 -1.64 116.42 119.51 3h3b h ASP 22 Ca 0.19 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 3h3b h ASP 22 Cb 0.15 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3h3b h ASP 22 CO -0.02 0.89 0.06 -0.03 -2.88 0.00 0.00 179.24 177.26 3h3b h MET 23 N 0.75 0.50 -0.40 0.28 4.05 -0.89 0.20 114.93 119.42 3h3b h MET 23 Ca 0.16 -0.13 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 3h3b h MET 23 Cb 0.42 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 3h3b h MET 23 CO 0.01 0.59 -0.13 -0.07 0.23 0.00 0.00 176.91 177.54 3h3b h LEU 24 N 0.33 0.71 -0.32 3.39 3.38 -1.46 -2.05 115.31 119.29 3h3b h LEU 24 Ca 0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3h3b h LEU 24 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3h3b h LEU 24 CO 0.00 0.86 0.01 -0.09 0.09 0.00 0.00 178.44 179.32 3h3b h ARG 25 N 0.65 0.55 -0.74 1.13 2.43 -1.11 -0.71 114.38 116.58 3h3b h ARG 25 Ca 0.11 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3h3b h ARG 25 Cb 0.60 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3h3b h ARG 25 CO 0.04 0.68 0.29 1.25 -1.51 0.00 0.00 179.97 180.72 3h3b h HIS 26 N 0.36 1.12 0.12 2.20 2.76 -0.86 -2.17 115.15 118.68 3h3b h HIS 26 Ca 0.09 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3h3b h HIS 26 Cb 0.42 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3h3b h HIS 26 CO 0.03 0.85 -0.06 1.25 -1.30 0.00 0.00 177.93 178.71 3h3b h LEU 27 N 1.08 -0.14 -0.31 0.26 5.85 -1.30 -3.36 115.31 117.38 3h3b h LEU 27 Ca 0.25 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3h3b h LEU 27 Cb 0.21 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3h3b h LEU 27 CO -0.02 0.36 -0.45 -1.22 -0.34 0.00 0.00 178.44 176.76 3h3b n TYR 28 N -4.93 0.00 -1.71 1.25 0.53 -0.28 -4.71 117.16 107.31 3h3b n TYR 28 Ca -0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.37 3h3b n TYR 28 Cb 0.26 -0.14 -0.03 0.00 -1.03 0.00 0.00 39.34 38.40 3h3b n TYR 28 CO 0.00 0.00 0.00 -1.14 -1.02 0.00 0.00 176.86 174.70 3h3b s GLN 29 N -2.74 3.72 0.00 -0.72 2.00 -0.82 -1.89 119.66 119.22 3h3b s GLN 29 Ca 0.17 2.28 0.00 0.00 -2.00 0.00 0.00 55.36 55.81 3h3b s GLN 29 Cb 0.18 -4.22 0.00 0.00 0.80 0.00 0.00 33.01 29.77 3h3b s GLN 29 CO 0.63 -1.42 0.00 0.41 -0.50 0.00 0.00 175.29 174.41 3h3b n GLY 30 N 5.00 2.47 3.75 2.59 0.00 -1.26 -5.02 105.19 112.71 3h3b n GLY 30 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3h3b n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3b n GLN 32 N 2.18 2.69 -3.94 0.00 6.02 0.04 -2.38 117.38 121.98 3h3b n GLN 32 Ca 0.05 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 3h3b n GLN 32 Cb 0.42 -1.15 -0.17 0.00 1.02 0.00 0.00 30.24 30.35 3h3b n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h3b s VAL 33 N -2.18 0.87 -0.28 5.09 1.01 -0.54 0.77 120.40 125.14 3h3b s VAL 33 Ca -0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3h3b s VAL 33 Cb 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3h3b s VAL 33 CO 0.24 0.34 0.53 -0.69 0.00 0.00 0.00 175.10 175.52 3h3b s VAL 34 N 1.64 5.04 -1.22 2.92 1.01 -0.20 -1.28 120.40 128.31 3h3b s VAL 34 Ca 0.03 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 3h3b s VAL 34 Cb -0.13 -3.88 0.17 0.00 0.00 0.00 0.00 36.38 32.54 3h3b s VAL 34 CO -0.06 -0.00 1.48 0.00 0.00 0.00 0.00 175.10 176.51 3h3b n GLN 35 N 5.63 3.37 0.00 2.72 6.02 0.10 -1.20 117.38 134.03 3h3b n GLN 35 Ca -0.04 -3.81 0.00 0.00 -0.01 0.00 0.00 57.00 53.15 3h3b n GLN 35 Cb 0.49 -3.06 0.00 0.00 1.02 0.00 0.00 30.24 28.70 3h3b n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h3b n GLY 36 N 4.09 0.76 3.80 1.08 0.00 -1.26 -3.13 105.19 110.53 3h3b n GLY 36 Ca 0.38 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 3h3b n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h3b s ASN 37 N -4.00 6.70 -0.45 1.61 0.01 -1.26 -0.73 114.94 116.83 3h3b s ASN 37 Ca 0.00 0.83 -0.17 0.00 -0.71 0.00 0.00 52.86 52.81 3h3b s ASN 37 Cb 0.00 -2.23 0.04 0.00 0.41 0.00 0.00 41.25 39.47 3h3b s ASN 37 CO 0.00 0.24 0.43 -0.22 -1.51 0.00 0.00 177.10 176.04 3h3b s LEU 38 N -0.56 5.14 -0.18 0.60 2.96 -0.32 -1.15 118.68 125.18 3h3b s LEU 38 Ca 0.22 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 3h3b s LEU 38 Cb -0.15 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.26 3h3b s LEU 38 CO 0.11 -0.62 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.72 3h3b s GLU 39 N 1.98 3.02 -0.32 1.98 2.02 -1.26 -0.18 118.70 125.94 3h3b s GLU 39 Ca 0.09 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.29 3h3b s GLU 39 Cb -0.20 -2.60 0.09 0.00 0.10 0.00 0.00 34.13 31.53 3h3b s GLU 39 CO 0.11 -0.20 0.04 -0.51 0.02 0.00 0.00 175.26 174.72 3h3b s LEU 40 N 1.28 3.97 0.03 1.80 1.43 0.91 -4.98 118.68 123.12 3h3b s LEU 40 Ca 0.05 -1.92 0.02 0.00 -1.03 0.00 0.00 54.13 51.25 3h3b s LEU 40 Cb -0.13 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3h3b s LEU 40 CO -0.12 -0.36 -0.07 0.42 0.23 0.00 0.00 176.35 176.45 3h3b s THR 41 N 1.10 0.53 -1.44 5.49 -4.23 -1.26 -2.38 115.64 113.45 3h3b s THR 41 Ca 0.08 -0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.73 3h3b s THR 41 Cb -0.19 -0.54 0.04 0.00 1.34 0.00 0.00 72.50 73.15 3h3b s THR 41 CO -0.11 -0.19 0.63 -1.22 -0.54 0.00 0.00 174.62 173.19 3h3b n TYR 42 N 1.99 -1.99 -3.07 3.99 4.02 -0.95 -4.95 117.16 116.20 3h3b n TYR 42 Ca -0.19 0.57 -0.40 0.00 -0.01 0.00 0.00 57.90 57.87 3h3b n TYR 42 Cb 0.56 -3.91 -0.05 0.00 -0.02 0.00 0.00 39.34 35.92 3h3b n TYR 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3h3b s LEU 43 N -6.71 4.23 0.98 7.72 1.43 -1.26 -4.85 118.68 120.22 3h3b s LEU 43 Ca 0.39 1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 3h3b s LEU 43 Cb -0.19 -3.00 0.18 0.00 0.03 0.00 0.00 46.19 43.20 3h3b s LEU 43 CO 0.48 -0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 3h3b s PRO 44 N 1.41 0.58 0.46 1.29 0.04 -1.26 0.20 135.00 137.72 3h3b s PRO 44 Ca 0.33 0.88 0.14 0.00 0.04 0.00 0.00 61.00 62.40 3h3b s PRO 44 Cb -0.17 -1.73 1.05 0.00 0.04 0.00 0.00 34.50 33.70 3h3b s PRO 44 CO 0.14 -2.72 2.03 1.79 0.04 0.00 0.00 177.00 178.28 3h3b h THR 45 N -1.90 1.10 -0.12 1.26 1.35 -1.94 -2.73 112.91 109.92 3h3b h THR 45 Ca -0.52 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3h3b h THR 45 Cb 1.30 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3h3b h THR 45 CO 0.52 0.13 0.00 -0.46 -0.25 0.00 0.00 175.52 175.46 3h3b n ASN 46 N -4.39 1.43 -4.71 5.36 0.23 -1.26 -4.64 115.26 107.29 3h3b n ASN 46 Ca -0.02 -1.64 -0.42 0.00 -0.53 0.00 0.00 54.58 51.97 3h3b n ASN 46 Cb 0.19 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.79 3h3b n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h3b s ALA 47 N -1.84 3.59 -0.17 -2.53 0.00 -1.03 -4.99 121.76 114.78 3h3b s ALA 47 Ca 0.33 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 3h3b s ALA 47 Cb 0.17 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3h3b s ALA 47 CO 0.27 -0.74 0.84 0.45 0.00 0.00 0.00 175.76 176.58 3h3b s SER 48 N 1.44 6.95 -0.18 0.00 0.15 -1.26 -4.93 113.70 115.87 3h3b s SER 48 Ca 0.65 1.17 0.16 0.00 0.70 0.00 0.00 55.95 58.63 3h3b s SER 48 Cb -0.35 -2.46 0.44 0.00 -1.71 0.00 0.00 66.02 61.94 3h3b s SER 48 CO 0.29 -0.41 1.32 0.18 1.20 0.00 0.00 173.24 175.82 3h3b n LEU 49 N 5.29 3.32 0.25 3.45 4.32 -1.26 -4.67 117.00 127.69 3h3b n LEU 49 Ca 0.05 -3.22 0.17 0.00 -0.02 0.00 0.00 56.01 52.98 3h3b n LEU 49 Cb 0.49 -0.52 0.72 0.00 -1.62 0.00 0.00 43.42 42.49 3h3b n LEU 49 CO 0.48 0.83 0.98 0.77 -1.22 0.00 0.00 177.39 179.23 3h3b h SER 50 N 1.00 0.00 0.26 -1.43 4.64 -1.92 -2.32 113.55 113.79 3h3b h SER 50 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3h3b h SER 50 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3h3b h SER 50 CO 0.16 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.34 3h3b n PHE 51 N -2.84 0.00 1.30 4.77 1.16 -1.26 -2.06 117.46 118.52 3h3b n PHE 51 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.71 3h3b n PHE 51 Cb 0.24 -0.33 0.37 0.00 -1.61 0.00 0.00 39.48 38.14 3h3b n PHE 51 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3h3b n LEU 52 N -1.33 1.55 0.20 5.98 4.77 -0.87 -3.80 117.00 123.49 3h3b n LEU 52 Ca 0.05 -0.50 0.14 0.00 -0.03 0.00 0.00 56.01 55.68 3h3b n LEU 52 Cb 0.10 -0.05 0.69 0.00 -2.33 0.00 0.00 43.42 41.84 3h3b n LEU 52 CO 0.09 0.27 0.93 0.06 -1.33 0.00 0.00 177.39 177.41 3h3b h GLN 53 N 2.21 0.00 0.00 3.23 3.07 -1.62 -2.67 115.11 119.33 3h3b h GLN 53 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3h3b h GLN 53 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 3h3b h GLN 53 CO 0.00 0.00 -0.85 -0.25 0.09 0.00 0.00 178.83 177.82 3h3b n ASP 54 N -2.53 0.80 -4.63 0.06 8.00 -1.26 -4.63 116.55 112.35 3h3b n ASP 54 Ca -0.00 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.28 3h3b n ASP 54 Cb 0.14 1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 3h3b n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h3b s ILE 55 N -2.57 3.27 -0.17 0.53 1.01 -1.00 -4.16 121.20 118.12 3h3b s ILE 55 Ca 0.05 0.31 0.17 0.00 0.00 0.00 0.00 60.65 61.18 3h3b s ILE 55 Cb 0.12 -3.28 -0.25 0.00 0.01 0.00 0.00 42.46 39.06 3h3b s ILE 55 CO 0.66 -0.12 0.12 0.00 0.00 0.00 0.00 174.94 175.60 3h3b n GLN 56 N 8.00 0.86 -3.76 2.79 6.02 0.23 -2.26 117.38 129.26 3h3b n GLN 56 Ca 0.23 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 57.06 3h3b n GLN 56 Cb 0.44 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 3h3b n GLN 56 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3h3b s GLU 57 N -2.59 0.37 -0.11 -1.09 2.12 -0.76 -0.84 118.70 115.80 3h3b s GLU 57 Ca -0.09 0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.72 3h3b s GLU 57 Cb 0.07 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.64 3h3b s GLU 57 CO 0.79 -0.05 -0.22 0.08 -0.54 0.00 0.00 175.26 175.32 3h3b s VAL 58 N 0.19 1.93 0.05 3.70 1.01 -0.57 -1.04 120.40 125.68 3h3b s VAL 58 Ca -0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 3h3b s VAL 58 Cb -0.02 -1.69 -0.32 0.00 0.00 0.00 0.00 36.38 34.35 3h3b s VAL 58 CO 0.00 0.53 1.07 1.56 0.00 0.00 0.00 175.10 178.26 3h3b h GLN 59 N 6.98 0.55 0.00 2.72 4.20 -1.21 -0.29 115.11 128.06 3h3b h GLN 59 Ca -0.25 -0.83 0.00 0.00 0.06 0.00 0.00 58.65 57.63 3h3b h GLN 59 Cb 1.21 0.29 0.00 0.00 0.30 0.00 0.00 27.48 29.29 3h3b h GLN 59 CO 0.50 1.39 0.00 0.41 -0.67 0.00 0.00 178.83 180.45 3h3b n GLY 60 N 1.53 1.12 3.93 3.46 0.00 0.09 -0.49 105.19 114.85 3h3b n GLY 60 Ca -0.14 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 3h3b n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h3b s TYR 61 N 2.13 2.97 -0.21 1.61 -0.85 -1.15 -2.63 117.35 119.22 3h3b s TYR 61 Ca 0.00 -0.29 -0.03 0.00 -0.52 0.00 0.00 57.07 56.23 3h3b s TYR 61 Cb 0.00 -1.98 -0.01 0.00 0.38 0.00 0.00 41.96 40.35 3h3b s TYR 61 CO 0.00 0.00 -0.06 0.08 -1.52 0.00 0.00 175.55 174.05 3h3b s VAL 62 N -2.27 3.27 -0.18 -3.49 1.01 0.74 -1.18 120.40 118.31 3h3b s VAL 62 Ca 0.45 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3h3b s VAL 62 Cb -0.08 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3h3b s VAL 62 CO 0.29 0.44 -0.17 -0.22 0.00 0.00 0.00 175.10 175.45 3h3b s LEU 63 N 1.38 2.33 -0.30 3.92 2.96 0.75 -1.02 118.68 128.70 3h3b s LEU 63 Ca 0.05 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3h3b s LEU 63 Cb -0.14 -1.54 0.09 0.00 0.50 0.00 0.00 46.19 45.10 3h3b s LEU 63 CO -0.03 0.02 0.04 -0.63 -1.32 0.00 0.00 176.35 174.43 3h3b s ILE 64 N 1.18 1.58 -0.01 6.68 1.01 0.08 -0.07 121.20 131.65 3h3b s ILE 64 Ca 0.02 -1.72 -0.03 0.00 0.00 0.00 0.00 60.65 58.93 3h3b s ILE 64 Cb -0.14 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 3h3b s ILE 64 CO -0.07 -0.50 0.05 0.00 0.00 0.00 0.00 174.94 174.42 3h3b s ALA 65 N 1.29 -0.11 -1.39 9.38 0.00 -1.00 -1.05 121.76 128.86 3h3b s ALA 65 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 3h3b s ALA 65 Cb -0.18 0.00 0.03 0.00 0.00 0.00 0.00 23.12 22.97 3h3b s ALA 65 CO -0.14 -0.10 0.41 0.72 0.00 0.00 0.00 175.76 176.66 3h3b n HIS 66 N 2.36 -1.74 -3.32 0.00 8.25 -0.65 -2.25 115.22 117.89 3h3b n HIS 66 Ca -0.17 0.37 -0.38 0.00 -0.26 0.00 0.00 57.72 57.28 3h3b n HIS 66 Cb 0.58 -3.61 -0.06 0.00 1.12 0.00 0.00 29.99 28.02 3h3b n HIS 66 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3h3b s ASN 67 N -2.54 6.89 0.11 0.41 0.01 -1.26 -3.11 114.94 115.45 3h3b s ASN 67 Ca 0.26 1.06 0.12 0.00 -0.71 0.00 0.00 52.86 53.60 3h3b s ASN 67 Cb -0.13 -2.32 -0.13 0.00 0.41 0.00 0.00 41.25 39.08 3h3b s ASN 67 CO 0.32 0.17 1.09 1.56 -1.51 0.00 0.00 177.10 178.74 3h3b h GLN 68 N 5.41 0.00 -6.73 -0.60 1.08 -0.53 -3.07 115.11 110.68 3h3b h GLN 68 Ca -0.47 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.16 3h3b h GLN 68 Cb 1.20 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.75 3h3b h GLN 68 CO 0.68 0.61 0.46 1.55 -0.95 0.00 0.00 178.83 181.18 3h3b n VAL 69 N -3.15 2.07 0.05 -0.54 3.14 -0.53 -0.44 118.33 118.93 3h3b n VAL 69 Ca -0.05 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.80 3h3b n VAL 69 Cb 0.89 -1.51 -0.08 0.00 -1.06 0.00 0.00 33.84 32.08 3h3b n VAL 69 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3h3b h ARG 70 N 2.42 0.00 -4.19 1.45 3.08 -1.82 -3.12 114.38 112.19 3h3b h ARG 70 Ca -0.46 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.35 3h3b h ARG 70 Cb 1.29 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.10 3h3b h ARG 70 CO 0.62 0.56 -0.72 -0.65 -1.07 0.00 0.00 179.97 178.70 3h3b s GLN 71 N -2.80 0.35 -0.33 0.04 -0.21 -1.26 -0.66 119.66 114.79 3h3b s GLN 71 Ca -0.01 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.90 3h3b s GLN 71 Cb 0.09 -0.14 0.08 0.00 1.00 0.00 0.00 33.01 34.04 3h3b s GLN 71 CO 0.80 0.02 0.04 0.14 -2.12 0.00 0.00 175.29 174.18 3h3b s VAL 72 N -0.93 2.71 -1.32 1.09 -7.23 -1.24 -5.01 120.40 108.47 3h3b s VAL 72 Ca -0.08 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 3h3b s VAL 72 Cb -0.07 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.16 3h3b s VAL 72 CO -0.00 -0.37 1.92 -0.81 -0.31 0.00 0.00 175.10 175.53 3h3b n PRO 73 N 4.48 2.92 -1.39 4.82 -0.04 -1.26 -3.38 135.00 141.15 3h3b n PRO 73 Ca -0.06 -2.96 -0.29 0.00 -0.04 0.00 0.00 63.50 60.15 3h3b n PRO 73 Cb 0.42 -3.43 0.10 0.00 -0.04 0.00 0.00 33.50 30.55 3h3b n PRO 73 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3h3b n LEU 74 N 8.01 6.77 0.26 1.53 4.77 -1.19 -4.48 117.00 132.67 3h3b n LEU 74 Ca 0.50 -4.22 0.18 0.00 -0.03 0.00 0.00 56.01 52.44 3h3b n LEU 74 Cb 0.44 -0.82 0.90 0.00 -2.33 0.00 0.00 43.42 41.61 3h3b n LEU 74 CO 0.82 1.50 1.15 1.56 -1.33 0.00 0.00 177.39 181.09 3h3b h GLN 75 N 1.78 0.00 0.00 3.23 7.50 -1.83 -1.68 115.11 124.12 3h3b h GLN 75 Ca 0.54 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.69 3h3b h GLN 75 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.87 3h3b h GLN 75 CO 1.27 0.00 -0.61 0.54 -1.50 0.00 0.00 178.83 178.53 3h3b n ARG 76 N -3.42 0.00 -1.91 1.46 1.74 -1.26 -3.14 116.66 110.13 3h3b n ARG 76 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3h3b n ARG 76 Cb 0.31 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3h3b n ARG 76 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3h3b s LEU 77 N -3.01 4.17 -0.14 0.55 2.96 -0.63 -4.32 118.68 118.25 3h3b s LEU 77 Ca 0.10 2.18 0.06 0.00 -0.22 0.00 0.00 54.13 56.25 3h3b s LEU 77 Cb 0.17 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.20 3h3b s LEU 77 CO 0.74 -1.13 -0.05 0.54 -1.32 0.00 0.00 176.35 175.12 3h3b n ARG 78 N 7.51 1.15 -3.74 1.98 1.74 -0.02 -1.85 116.66 123.43 3h3b n ARG 78 Ca 0.19 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 57.17 3h3b n ARG 78 Cb 0.43 -1.32 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 3h3b n ARG 78 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3h3b s ILE 79 N -2.31 -0.08 -0.27 0.55 2.07 -1.15 -1.81 121.20 118.20 3h3b s ILE 79 Ca -0.14 0.23 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 3h3b s ILE 79 Cb 0.05 -0.19 0.02 0.00 0.13 0.00 0.00 42.46 42.47 3h3b s ILE 79 CO 0.44 0.09 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.86 3h3b s VAL 80 N 1.32 3.20 0.16 4.00 1.01 -0.75 -1.51 120.40 127.84 3h3b s VAL 80 Ca -0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3h3b s VAL 80 Cb -0.12 -2.66 -0.13 0.00 0.00 0.00 0.00 36.38 33.47 3h3b s VAL 80 CO -0.05 0.13 1.39 0.03 0.00 0.00 0.00 175.10 176.60 3h3b h ARG 81 N 8.07 0.37 -1.97 2.72 3.08 -1.18 -1.46 114.38 124.01 3h3b h ARG 81 Ca -0.31 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.24 3h3b h ARG 81 Cb 1.11 0.08 0.02 0.00 0.08 0.00 0.00 29.97 31.26 3h3b h ARG 81 CO 0.58 1.00 -0.23 0.41 -1.07 0.00 0.00 179.97 180.66 3h3b n GLY 82 N 0.71 0.21 0.24 0.04 0.00 -1.00 -2.06 105.19 103.34 3h3b n GLY 82 Ca -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 3h3b n GLY 82 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h3b h THR 83 N -0.51 1.23 -3.77 2.61 2.02 -0.95 -3.41 112.91 110.14 3h3b h THR 83 Ca -0.20 -1.04 -0.68 0.00 0.77 0.00 0.00 66.41 65.26 3h3b h THR 83 Cb 1.14 1.25 -0.19 0.00 -1.74 0.00 0.00 68.15 68.61 3h3b h THR 83 CO 0.22 0.33 -0.79 -1.10 0.37 0.00 0.00 175.52 174.55 3h3b s GLN 84 N -4.63 1.96 0.08 6.66 -0.21 -1.26 -4.99 119.66 117.27 3h3b s GLN 84 Ca -0.06 -1.07 0.07 0.00 0.02 0.00 0.00 55.36 54.32 3h3b s GLN 84 Cb 0.15 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 3h3b s GLN 84 CO 0.77 0.51 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.74 3h3b s LEU 85 N -1.90 2.25 0.03 2.90 1.43 -1.26 -2.94 118.68 119.19 3h3b s LEU 85 Ca 0.17 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3h3b s LEU 85 Cb -0.11 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3h3b s LEU 85 CO 0.09 0.07 0.09 0.12 0.23 0.00 0.00 176.35 176.94 3h3b s PHE 86 N -1.06 3.27 -1.53 0.29 5.36 0.44 -4.42 117.98 120.32 3h3b s PHE 86 Ca 0.05 0.16 -0.11 0.00 -0.96 0.00 0.00 56.93 56.08 3h3b s PHE 86 Cb -0.10 -1.70 0.08 0.00 -0.34 0.00 0.00 43.02 40.96 3h3b s PHE 86 CO 0.03 0.54 0.77 0.39 -1.46 0.00 0.00 175.22 175.50 3h3b n GLU 87 N 0.88 -4.31 0.00 10.12 4.71 -1.26 -0.95 120.64 129.83 3h3b n GLU 87 Ca -0.11 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 3h3b n GLU 87 Cb 0.52 -5.14 0.00 0.00 -1.01 0.00 0.00 31.44 25.81 3h3b n GLU 87 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3h3b n ASP 88 N -2.84 0.00 0.00 1.62 10.43 -1.26 -4.39 116.55 120.10 3h3b n ASP 88 Ca -0.07 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.29 3h3b n ASP 88 Cb 0.57 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.52 3h3b n ASP 88 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3h3b n ASN 89 N 0.40 0.31 -4.20 -2.24 3.02 -1.01 -4.90 115.26 106.65 3h3b n ASN 89 Ca 0.00 -1.11 -0.32 0.00 -0.03 0.00 0.00 54.58 53.12 3h3b n ASN 89 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 3h3b n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h3b s TYR 90 N -0.11 2.62 -0.13 3.10 1.51 -0.13 -1.10 117.35 123.11 3h3b s TYR 90 Ca 0.00 -1.18 0.16 0.00 -1.01 0.00 0.00 57.07 55.04 3h3b s TYR 90 Cb 0.00 -1.76 -0.06 0.00 -0.11 0.00 0.00 41.96 40.03 3h3b s TYR 90 CO 0.00 -0.51 1.08 0.00 -1.11 0.00 0.00 175.55 175.01 3h3b h ALA 91 N 7.00 0.65 -3.24 3.71 0.00 -1.57 0.13 119.26 125.93 3h3b h ALA 91 Ca -0.25 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 53.46 3h3b h ALA 91 Cb 1.22 0.12 -0.36 0.00 0.00 0.00 0.00 17.79 18.77 3h3b h ALA 91 CO 0.51 0.78 -0.81 -1.17 0.00 0.00 0.00 179.25 178.57 3h3b s LEU 92 N -6.05 1.34 -0.14 0.00 2.96 -1.01 -0.18 118.68 115.60 3h3b s LEU 92 Ca -0.00 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3h3b s LEU 92 Cb 0.08 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.95 3h3b s LEU 92 CO 0.79 -0.07 -0.09 0.00 -1.32 0.00 0.00 176.35 175.66 3h3b s ALA 93 N 1.40 1.51 -0.36 5.97 0.00 -0.19 -0.46 121.76 129.64 3h3b s ALA 93 Ca -0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3h3b s ALA 93 Cb -0.13 -1.01 0.10 0.00 0.00 0.00 0.00 23.12 22.08 3h3b s ALA 93 CO -0.05 -0.52 0.08 0.08 0.00 0.00 0.00 175.76 175.35 3h3b s VAL 94 N 1.63 2.20 -0.04 0.00 1.01 0.13 -0.74 120.40 124.58 3h3b s VAL 94 Ca 0.04 -2.38 0.03 0.00 0.00 0.00 0.00 61.98 59.67 3h3b s VAL 94 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3h3b s VAL 94 CO -0.09 -0.63 -0.13 -0.76 0.00 0.00 0.00 175.10 173.49 3h3b s LEU 95 N 0.83 1.80 -1.46 3.92 1.43 -0.22 -1.21 118.68 123.77 3h3b s LEU 95 Ca 0.12 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 3h3b s LEU 95 Cb -0.20 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.26 3h3b s LEU 95 CO -0.08 0.09 0.67 0.47 0.23 0.00 0.00 176.35 177.72 3h3b n ASP 96 N 3.38 -1.97 -4.27 2.29 9.92 -0.75 -1.63 116.55 123.52 3h3b n ASP 96 Ca -0.20 -0.92 -0.43 0.00 -0.53 0.00 0.00 54.79 52.72 3h3b n ASP 96 Cb 0.53 -3.41 0.00 0.00 -0.64 0.00 0.00 41.12 37.60 3h3b n ASP 96 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3h3b n ASN 97 N -2.91 5.03 0.00 -2.24 3.02 -1.20 -2.44 115.26 114.52 3h3b n ASN 97 Ca -0.17 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 3h3b n ASN 97 Cb 0.62 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 3h3b n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3b n GLY 98 N 3.99 -0.06 3.20 7.41 0.00 -1.16 -2.00 105.19 116.57 3h3b n GLY 98 Ca 0.41 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 3h3b n GLY 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3b s ASP 99 N -4.00 1.61 0.61 1.61 1.01 0.02 -4.76 116.67 112.77 3h3b s ASP 99 Ca 0.00 -0.87 -0.14 0.00 0.71 0.00 0.00 52.55 52.25 3h3b s ASP 99 Cb 0.00 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.89 3h3b s ASP 99 CO 0.00 -0.27 1.04 -2.84 0.21 0.00 0.00 175.17 173.31 3h3b s PRO 100 N -3.05 3.39 -0.05 8.23 0.02 -1.26 -4.59 135.00 137.69 3h3b s PRO 100 Ca 0.09 1.04 -0.22 0.00 0.02 0.00 0.00 61.00 61.92 3h3b s PRO 100 Cb -0.02 -2.05 0.05 0.00 0.02 0.00 0.00 34.50 32.50 3h3b s PRO 100 CO 0.00 -0.74 0.50 -1.17 -0.33 0.00 0.00 177.00 175.26 3h3b s LEU 101 N -4.75 0.09 0.00 -5.54 2.96 -1.26 -4.86 118.68 105.32 3h3b s LEU 101 Ca 0.60 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 3h3b s LEU 101 Cb -0.14 1.89 0.00 0.00 0.50 0.00 0.00 46.19 48.44 3h3b s LEU 101 CO 0.42 -0.49 0.00 -0.46 -1.32 0.00 0.00 176.35 174.50 3h3b n ASN 102 N 1.29 0.00 0.00 3.68 0.23 -1.26 -2.79 115.26 116.41 3h3b n ASN 102 Ca -0.20 -0.98 0.04 0.00 -0.53 0.00 0.00 54.58 52.91 3h3b n ASN 102 Cb 0.56 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.48 3h3b n ASN 102 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3h3b n ASN 103 N -2.95 0.00 -4.77 0.53 3.02 -1.26 -4.71 115.26 105.12 3h3b n ASN 103 Ca 0.00 0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 54.34 3h3b n ASN 103 Cb 0.00 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3h3b n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h3b s THR 104 N -2.60 2.98 -0.13 3.41 2.01 -1.26 -4.97 115.64 115.08 3h3b s THR 104 Ca 0.08 0.90 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 3h3b s THR 104 Cb 0.06 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3h3b s THR 104 CO 0.14 0.15 1.20 0.42 -0.69 0.00 0.00 174.62 175.83 3h3b s THR 105 N -1.28 4.36 0.04 -0.82 -4.23 -1.26 -4.94 115.64 107.50 3h3b s THR 105 Ca 0.53 1.65 -0.38 0.00 -1.18 0.00 0.00 61.69 62.32 3h3b s THR 105 Cb -0.35 -4.07 -0.19 0.00 1.34 0.00 0.00 72.50 69.24 3h3b s THR 105 CO 0.45 -0.09 1.07 -2.65 -0.54 0.00 0.00 174.62 172.86 3h3b n PRO 106 N 5.99 0.26 -3.61 3.99 -0.02 -1.26 -5.00 135.00 135.35 3h3b n PRO 106 Ca 0.12 0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.32 3h3b n PRO 106 Cb 0.46 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 3h3b n PRO 106 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h3b s VAL 107 N -0.01 5.16 0.00 -1.45 1.01 -1.26 -4.98 120.40 118.86 3h3b s VAL 107 Ca 0.87 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3h3b s VAL 107 Cb -1.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 31.59 3h3b s VAL 107 CO 0.55 0.59 0.91 1.07 0.00 0.00 0.00 175.10 178.22 3h3b n THR 108 N 1.87 0.00 -0.46 3.92 5.66 -1.26 -1.95 114.28 122.06 3h3b n THR 108 Ca -0.16 1.41 0.09 0.00 -3.05 0.00 0.00 64.05 62.34 3h3b n THR 108 Cb 0.53 -2.00 0.34 0.00 -1.55 0.00 0.00 70.33 67.65 3h3b n THR 108 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h3b n GLY 109 N -0.98 2.53 0.22 1.09 0.00 -1.26 -4.53 105.19 102.26 3h3b n GLY 109 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 3h3b n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3b n ALA 110 N 1.04 2.14 -2.08 4.61 0.00 -0.99 -5.03 120.51 120.22 3h3b n ALA 110 Ca 0.24 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 3h3b n ALA 110 Cb 0.85 0.44 -0.04 0.00 0.00 0.00 0.00 19.45 20.70 3h3b n ALA 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3h3b s SER 111 N -4.51 7.19 0.05 0.00 0.01 -0.82 -4.97 113.70 110.64 3h3b s SER 111 Ca -0.04 2.14 -0.38 0.00 1.31 0.00 0.00 55.95 58.99 3h3b s SER 111 Cb 0.01 -2.60 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 3h3b s SER 111 CO 0.06 -0.29 1.05 -2.65 0.41 0.00 0.00 173.24 171.83 3h3b n PRO 112 N 2.48 0.26 -2.25 12.44 -0.02 -1.26 -4.90 135.00 141.75 3h3b n PRO 112 Ca 0.04 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 3h3b n PRO 112 Cb 0.46 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3h3b n PRO 112 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h3b s GLY 113 N -0.04 1.59 0.00 -1.23 0.00 -1.26 -4.89 107.32 101.48 3h3b s GLY 113 Ca 0.86 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.29 3h3b s GLY 113 CO 0.55 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.19 3h3b n GLY 114 N -2.49 3.35 3.71 0.20 0.00 0.41 -0.80 105.19 109.58 3h3b n GLY 114 Ca 0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3h3b n GLY 114 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h3b s LEU 115 N 0.00 4.37 -0.14 0.99 2.96 -0.85 -3.93 118.68 122.08 3h3b s LEU 115 Ca 0.00 2.23 0.03 0.00 -0.22 0.00 0.00 54.13 56.17 3h3b s LEU 115 Cb 0.00 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.00 3h3b s LEU 115 CO 0.00 -0.60 -0.09 0.54 -1.32 0.00 0.00 176.35 174.88 3h3b n ARG 116 N 4.02 0.80 -3.78 1.98 1.74 0.17 -1.95 116.66 119.64 3h3b n ARG 116 Ca 0.11 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 3h3b n ARG 116 Cb 0.43 -1.30 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 3h3b n ARG 116 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3h3b s GLU 117 N -2.30 0.16 -0.36 5.56 -1.05 -1.14 -1.15 118.70 118.43 3h3b s GLU 117 Ca -0.17 0.32 -0.21 0.00 -0.15 0.00 0.00 54.97 54.76 3h3b s GLU 117 Cb 0.05 -0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.71 3h3b s GLU 117 CO 0.38 -0.09 0.67 -0.51 0.95 0.00 0.00 175.26 176.66 3h3b s LEU 118 N 0.62 4.24 -1.01 1.83 1.43 -1.26 -3.66 118.68 120.88 3h3b s LEU 118 Ca -0.04 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 3h3b s LEU 118 Cb -0.06 -2.84 0.24 0.00 0.03 0.00 0.00 46.19 43.56 3h3b s LEU 118 CO -0.03 -0.64 1.02 -1.10 0.23 0.00 0.00 176.35 175.83 3h3b s GLN 119 N 2.81 3.94 -0.49 1.70 -0.21 -1.22 -4.71 119.66 121.48 3h3b s GLN 119 Ca 0.26 -2.79 0.06 0.00 0.02 0.00 0.00 55.36 52.91 3h3b s GLN 119 Cb -0.14 -4.59 0.38 0.00 1.00 0.00 0.00 33.01 29.66 3h3b s GLN 119 CO 0.16 -1.35 1.01 1.28 -2.12 0.00 0.00 175.29 174.27 3h3b n LEU 120 N 3.71 4.26 0.17 2.90 4.77 -1.26 -3.03 117.00 128.50 3h3b n LEU 120 Ca 0.22 -5.34 0.02 0.00 -0.03 0.00 0.00 56.01 50.87 3h3b n LEU 120 Cb 0.43 -0.40 0.34 0.00 -2.33 0.00 0.00 43.42 41.46 3h3b n LEU 120 CO 0.44 2.26 0.73 -0.09 -1.33 0.00 0.00 177.39 179.39 3h3b h ARG 121 N 2.80 0.06 -0.02 3.23 2.43 -1.83 -3.05 114.38 118.00 3h3b h ARG 121 Ca 0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3h3b h ARG 121 Cb 0.75 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3h3b h ARG 121 CO 0.80 0.41 -0.12 0.43 -1.51 0.00 0.00 179.97 179.98 3h3b n SER 122 N -4.10 1.73 -4.65 -3.80 7.64 -1.19 -4.84 113.62 104.41 3h3b n SER 122 Ca -0.02 -1.44 -0.43 0.00 1.01 0.00 0.00 58.87 58.00 3h3b n SER 122 Cb 0.41 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 3h3b n SER 122 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3h3b s LEU 123 N -2.19 4.15 0.00 -3.43 2.96 -0.77 -4.20 118.68 115.20 3h3b s LEU 123 Ca 0.30 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 3h3b s LEU 123 Cb 0.20 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3h3b s LEU 123 CO 0.40 -0.96 0.00 0.35 -1.32 0.00 0.00 176.35 174.83 3h3b n THR 124 N 5.71 0.00 -3.85 3.68 -2.24 -0.75 -4.96 114.28 111.87 3h3b n THR 124 Ca 0.16 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 3h3b n THR 124 Cb 0.44 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 69.05 3h3b n THR 124 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h3b s GLU 125 N -0.99 0.26 -0.27 -0.78 2.02 -1.02 -4.51 118.70 113.41 3h3b s GLU 125 Ca 0.00 0.14 0.03 0.00 0.02 0.00 0.00 54.97 55.15 3h3b s GLU 125 Cb 0.00 -0.54 0.07 0.00 0.10 0.00 0.00 34.13 33.76 3h3b s GLU 125 CO 0.00 -0.19 -0.08 0.42 0.02 0.00 0.00 175.26 175.43 3h3b s ILE 126 N 1.34 2.07 0.07 -1.63 1.01 0.15 -1.80 121.20 122.40 3h3b s ILE 126 Ca -0.05 -1.66 -0.16 0.00 0.00 0.00 0.00 60.65 58.77 3h3b s ILE 126 Cb -0.13 -2.25 -0.14 0.00 0.01 0.00 0.00 42.46 39.95 3h3b s ILE 126 CO -0.02 -0.12 1.32 -0.07 0.00 0.00 0.00 174.94 176.04 3h3b h LEU 127 N 7.78 0.67 -7.55 2.97 3.38 -1.41 -0.90 115.31 120.26 3h3b h LEU 127 Ca -0.17 -0.56 -0.18 0.00 0.09 0.00 0.00 57.88 57.06 3h3b h LEU 127 Cb 1.04 -0.19 -0.26 0.00 0.09 0.00 0.00 40.66 41.34 3h3b h LEU 127 CO 0.46 1.11 -0.50 -0.75 0.09 0.00 0.00 178.44 178.86 3h3b s LYS 128 N -3.99 0.23 0.00 1.13 2.47 -0.88 -3.93 119.74 114.76 3h3b s LYS 128 Ca -0.12 0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 3h3b s LYS 128 Cb 0.07 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 3h3b s LYS 128 CO 0.83 -0.03 0.00 0.41 0.16 0.00 0.00 175.35 176.72 3h3b n GLY 129 N 2.93 1.97 0.00 5.54 0.00 -1.26 -4.02 105.19 110.35 3h3b n GLY 129 Ca -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3h3b n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3b n GLY 130 N 1.94 2.24 3.13 -0.02 0.00 -0.26 -4.43 105.19 107.79 3h3b n GLY 130 Ca 0.00 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 3h3b n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3b s VAL 131 N 1.11 1.98 -0.23 1.61 1.01 0.17 -1.82 120.40 124.22 3h3b s VAL 131 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3h3b s VAL 131 Cb 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3h3b s VAL 131 CO 0.00 0.53 -0.11 -0.22 0.00 0.00 0.00 175.10 175.30 3h3b s LEU 132 N 1.11 2.92 -0.24 3.92 2.96 0.39 -1.71 118.68 128.03 3h3b s LEU 132 Ca -0.00 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 53.00 3h3b s LEU 132 Cb -0.14 -1.59 0.07 0.00 0.50 0.00 0.00 46.19 45.03 3h3b s LEU 132 CO -0.08 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.25 3h3b s ILE 133 N 1.27 0.95 -0.02 6.68 1.01 -0.75 0.17 121.20 130.52 3h3b s ILE 133 Ca -0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 3h3b s ILE 133 Cb -0.16 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.86 3h3b s ILE 133 CO -0.07 -0.32 0.03 -1.10 0.00 0.00 0.00 174.94 173.48 3h3b s GLN 134 N 1.64 -0.01 -0.85 2.79 -1.52 -0.35 0.70 119.66 122.06 3h3b s GLN 134 Ca 0.01 0.14 -0.02 0.00 -1.95 0.00 0.00 55.36 53.54 3h3b s GLN 134 Cb -0.18 -0.15 -0.02 0.00 -0.22 0.00 0.00 33.01 32.44 3h3b s GLN 134 CO -0.12 -0.11 0.72 0.54 -0.25 0.00 0.00 175.29 176.07 3h3b n ARG 135 N 3.77 -3.62 -3.99 2.91 1.74 -1.26 -1.81 116.66 114.40 3h3b n ARG 135 Ca -0.22 0.64 -0.31 0.00 -0.77 0.00 0.00 57.85 57.20 3h3b n ARG 135 Cb 0.54 -4.90 -0.15 0.00 -1.02 0.00 0.00 32.46 26.93 3h3b n ARG 135 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3h3b s ASN 136 N -3.72 4.58 0.26 0.55 0.01 -1.26 -2.64 114.94 112.72 3h3b s ASN 136 Ca 0.14 -2.48 -0.02 0.00 -0.71 0.00 0.00 52.86 49.79 3h3b s ASN 136 Cb -0.02 -1.62 0.45 0.00 0.41 0.00 0.00 41.25 40.48 3h3b s ASN 136 CO 0.55 -0.32 1.84 -0.65 -1.51 0.00 0.00 177.10 177.00 3h3b h PRO 137 N 7.19 0.93 -0.03 -0.60 0.11 -1.83 -2.73 132.00 135.04 3h3b h PRO 137 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3h3b h PRO 137 Cb 0.97 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3h3b h PRO 137 CO 0.58 0.61 -0.08 1.04 -0.21 0.00 0.00 178.00 179.94 3h3b n GLN 138 N -4.64 2.05 -2.56 1.05 6.02 -1.25 -1.16 117.38 116.88 3h3b n GLN 138 Ca 0.16 -1.72 -0.42 0.00 -0.01 0.00 0.00 57.00 55.01 3h3b n GLN 138 Cb 0.28 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 3h3b n GLN 138 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3h3b s LEU 139 N -2.02 4.41 0.29 1.08 2.96 -0.82 -4.27 118.68 120.32 3h3b s LEU 139 Ca 0.25 1.90 0.09 0.00 -0.22 0.00 0.00 54.13 56.15 3h3b s LEU 139 Cb 0.19 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 3h3b s LEU 139 CO 0.34 -0.31 -0.11 0.00 -1.32 0.00 0.00 176.35 174.95 3h3b n TYR 141 N -0.64 0.00 -0.20 0.00 4.02 -1.26 -4.61 117.16 114.47 3h3b n TYR 141 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.75 3h3b n TYR 141 Cb 0.62 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.95 3h3b n TYR 141 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3h3b h GLN 142 N 2.90 0.95 0.00 -0.72 7.50 -1.90 -2.87 115.11 120.96 3h3b h GLN 142 Ca 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 58.65 58.89 3h3b h GLN 142 Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.42 3h3b h GLN 142 CO 0.00 0.91 0.00 -0.40 -1.50 0.00 0.00 178.83 177.84 3h3b n ASP 143 N -4.32 0.00 -0.00 1.46 5.75 -1.26 -1.96 116.55 116.21 3h3b n ASP 143 Ca 0.02 -1.56 0.10 0.00 -0.01 0.00 0.00 54.79 53.34 3h3b n ASP 143 Cb 0.28 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.24 3h3b n ASP 143 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3h3b n THR 144 N -0.69 0.00 -2.91 2.12 -2.24 -1.09 -4.99 114.28 104.48 3h3b n THR 144 Ca 0.09 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 3h3b n THR 144 Cb 0.04 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 3h3b n THR 144 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h3b s ILE 145 N -3.04 4.64 -1.21 2.28 -1.09 -0.83 -4.20 121.20 117.76 3h3b s ILE 145 Ca 0.02 1.75 -0.15 0.00 -2.23 0.00 0.00 60.65 60.04 3h3b s ILE 145 Cb 0.14 -4.17 0.15 0.00 -1.58 0.00 0.00 42.46 37.00 3h3b s ILE 145 CO 0.81 0.36 1.47 -0.22 -1.23 0.00 0.00 174.94 176.14 3h3b s LEU 146 N -0.12 4.84 0.32 2.97 2.96 -1.26 -4.85 118.68 123.53 3h3b s LEU 146 Ca 0.41 -2.85 0.03 0.00 -0.22 0.00 0.00 54.13 51.49 3h3b s LEU 146 Cb -0.21 -2.43 0.54 0.00 0.50 0.00 0.00 46.19 44.58 3h3b s LEU 146 CO 0.25 -0.84 1.85 -0.50 -1.32 0.00 0.00 176.35 175.80 3h3b h TRP 147 N 7.32 0.63 0.00 5.38 4.06 -1.94 -2.52 115.95 128.89 3h3b h TRP 147 Ca 0.33 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.22 3h3b h TRP 147 Cb 0.88 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 3h3b h TRP 147 CO 1.16 0.59 0.00 1.57 -3.56 0.00 0.00 178.44 178.20 3h3b h LYS 148 N 0.59 0.00 -0.02 0.49 2.10 -1.96 -1.49 116.57 116.28 3h3b h LYS 148 Ca 0.13 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.62 3h3b h LYS 148 Cb 0.33 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 3h3b h LYS 148 CO 0.01 0.00 -0.72 -0.44 -2.00 0.00 0.00 179.45 176.29 3h3b h ASP 149 N 0.00 0.13 0.87 7.07 5.19 -1.87 -3.32 116.42 124.49 3h3b h ASP 149 Ca 0.00 -0.09 -0.19 0.00 -0.62 0.00 0.00 57.03 56.13 3h3b h ASP 149 Cb 0.33 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 3h3b h ASP 149 CO 0.00 0.81 -0.89 0.40 -3.12 0.00 0.00 179.24 176.44 3h3b h ILE 150 N 0.07 1.63 -3.89 0.35 2.04 -1.35 -3.45 117.51 112.90 3h3b h ILE 150 Ca -0.02 -3.01 -0.52 0.00 1.00 0.00 0.00 64.86 62.30 3h3b h ILE 150 Cb 1.28 2.63 0.07 0.00 -0.74 0.00 0.00 36.82 40.07 3h3b h ILE 150 CO 0.10 0.86 0.65 -0.36 0.00 0.00 0.00 178.15 179.41 3h3b s PHE 151 N -2.99 2.98 0.58 1.37 0.40 -1.17 -0.68 117.98 118.46 3h3b s PHE 151 Ca 0.00 1.39 -0.18 0.00 -0.60 0.00 0.00 56.93 57.53 3h3b s PHE 151 Cb 0.11 -3.72 -0.04 0.00 0.51 0.00 0.00 43.02 39.88 3h3b s PHE 151 CO 0.81 -2.01 1.13 -1.58 0.70 0.00 0.00 175.22 174.27 3h3b s HIS 152 N -1.15 2.63 0.32 0.36 5.65 -0.34 -4.79 115.29 117.96 3h3b s HIS 152 Ca 0.50 1.54 0.02 0.00 0.25 0.00 0.00 55.06 57.38 3h3b s HIS 152 Cb -0.40 -3.27 0.60 0.00 -1.18 0.00 0.00 32.58 28.32 3h3b s HIS 152 CO 0.54 -1.66 1.91 1.57 -0.65 0.00 0.00 174.74 176.46 3h3b h LYS 153 N 0.87 0.92 -0.00 2.88 2.10 -1.92 -2.12 116.57 119.28 3h3b h LYS 153 Ca -0.49 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 3h3b h LYS 153 Cb 1.26 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3h3b h LYS 153 CO 0.56 0.61 -0.07 0.09 -2.00 0.00 0.00 179.45 178.64 3h3b n ASN 154 N -4.50 0.49 -4.60 7.07 4.13 -1.26 -4.86 115.26 111.73 3h3b n ASN 154 Ca 0.14 -0.73 -0.43 0.00 1.68 0.00 0.00 54.58 55.24 3h3b n ASN 154 Cb 0.23 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.38 3h3b n ASN 154 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3h3b s ASN 155 N -2.34 5.40 0.03 6.41 3.84 -0.80 -4.83 114.94 122.65 3h3b s ASN 155 Ca 0.33 1.79 0.28 0.00 0.21 0.00 0.00 52.86 55.48 3h3b s ASN 155 Cb 0.20 -2.51 1.07 0.00 -0.55 0.00 0.00 41.25 39.46 3h3b s ASN 155 CO 0.44 -2.02 1.83 0.00 -2.79 0.00 0.00 177.10 174.56 3h3b n GLN 156 N 8.77 0.04 -2.20 0.43 1.13 -1.26 -3.73 117.38 120.56 3h3b n GLN 156 Ca 0.30 0.03 -0.22 0.00 -1.94 0.00 0.00 57.00 55.17 3h3b n GLN 156 Cb 0.46 -1.55 0.02 0.00 0.11 0.00 0.00 30.24 29.28 3h3b n GLN 156 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h3b n LEU 157 N -1.62 4.48 -3.25 1.08 4.77 -1.26 -4.95 117.00 116.25 3h3b n LEU 157 Ca 0.07 -4.64 -0.29 0.00 -0.03 0.00 0.00 56.01 51.11 3h3b n LEU 157 Cb 0.35 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3h3b n LEU 157 CO 0.29 2.02 2.71 0.00 -1.33 0.00 0.00 177.39 181.08 3h3b n ALA 158 N -0.64 5.64 -2.18 -1.18 0.00 -1.24 -1.89 120.51 119.02 3h3b n ALA 158 Ca 0.39 -2.60 -0.34 0.00 0.00 0.00 0.00 53.44 50.89 3h3b n ALA 158 Cb 0.89 -3.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.12 3h3b n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h3b s LEU 159 N 0.21 4.17 -0.17 0.00 1.43 -1.26 -4.95 118.68 118.10 3h3b s LEU 159 Ca 0.50 1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 3h3b s LEU 159 Cb 0.13 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.55 3h3b s LEU 159 CO -0.04 -0.11 -0.04 -0.89 0.23 0.00 0.00 176.35 175.51 3h3b s THR 160 N -1.81 1.05 -0.47 5.49 2.01 -1.26 -0.66 115.64 119.99 3h3b s THR 160 Ca 0.49 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.86 3h3b s THR 160 Cb -0.12 -1.28 0.15 0.00 0.01 0.00 0.00 72.50 71.25 3h3b s THR 160 CO 0.19 0.06 0.29 -0.22 -0.69 0.00 0.00 174.62 174.24 3h3b s LEU 161 N 1.65 2.74 -0.18 4.42 0.20 -0.69 -5.01 118.68 121.81 3h3b s LEU 161 Ca -0.00 -2.84 0.01 0.00 0.69 0.00 0.00 54.13 51.98 3h3b s LEU 161 Cb -0.16 -1.01 0.01 0.00 -0.43 0.00 0.00 46.19 44.61 3h3b s LEU 161 CO -0.07 -0.23 -0.18 -0.63 -0.29 0.00 0.00 176.35 174.95 3h3b s ILE 162 N 0.09 2.26 -0.09 6.68 1.01 -1.26 -1.81 121.20 128.08 3h3b s ILE 162 Ca 0.21 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 3h3b s ILE 162 Cb -0.17 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3h3b s ILE 162 CO -0.05 0.53 0.65 -0.62 0.00 0.00 0.00 174.94 175.45 3h3b s ASP 163 N 1.19 6.90 0.00 3.58 2.15 0.22 -4.97 116.67 125.74 3h3b s ASP 163 Ca 0.02 1.08 0.09 0.00 0.43 0.00 0.00 52.55 54.18 3h3b s ASP 163 Cb -0.14 -2.38 0.15 0.00 -0.30 0.00 0.00 42.92 40.25 3h3b s ASP 163 CO -0.09 -0.12 0.97 0.35 -0.17 0.00 0.00 175.17 176.12 3h3b n THR 164 N 3.87 0.42 -1.81 1.71 -2.24 -1.26 -4.77 114.28 110.20 3h3b n THR 164 Ca -0.02 -0.71 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 3h3b n THR 164 Cb 0.51 0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3h3b n THR 164 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h3b s ASN 165 N -0.87 6.36 0.00 3.42 0.01 -1.26 -5.02 114.94 117.58 3h3b s ASN 165 Ca 0.14 3.02 -0.10 0.00 -0.71 0.00 0.00 52.86 55.22 3h3b s ASN 165 Cb 0.09 -2.66 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3h3b s ASN 165 CO 0.12 -0.87 0.19 -0.13 -1.51 0.00 0.00 177.10 174.90 3h3b s ARG 166 N -1.76 0.55 0.15 -0.60 0.52 -1.26 -4.65 118.95 111.90 3h3b s ARG 166 Ca 0.55 -0.36 0.23 0.00 -0.52 0.00 0.00 55.73 55.63 3h3b s ARG 166 Cb -0.47 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.24 3h3b s ARG 166 CO 0.60 -0.14 1.01 -1.13 0.02 0.00 0.00 175.30 175.66 3h3b n SER 167 N 1.35 0.71 -4.35 0.23 3.41 -0.30 -4.94 113.62 109.72 3h3b n SER 167 Ca -0.22 0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 3h3b n SER 167 Cb 0.56 0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 65.02 3h3b n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3b s ARG 168 N -3.34 1.34 0.16 4.33 1.70 -1.12 -4.24 118.95 117.78 3h3b s ARG 168 Ca -0.00 -1.48 -0.21 0.00 -0.47 0.00 0.00 55.73 53.57 3h3b s ARG 168 Cb 0.11 -1.38 -0.08 0.00 -0.57 0.00 0.00 34.95 33.03 3h3b s ARG 168 CO 0.80 0.27 0.70 0.00 -1.08 0.00 0.00 175.30 175.99 3h3b s ALA 169 N -2.19 3.48 -0.10 7.88 0.00 -1.26 -4.99 121.76 124.57 3h3b s ALA 169 Ca 0.18 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 3h3b s ALA 169 Cb -0.05 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 3h3b s ALA 169 CO 0.08 0.34 0.72 0.00 0.00 0.00 0.00 175.76 176.89 3h3b s HIS 171 N 1.19 3.58 0.48 0.00 3.76 -1.26 -5.00 115.29 118.04 3h3b s HIS 171 Ca 0.37 1.58 -0.22 0.00 -0.15 0.00 0.00 55.06 56.64 3h3b s HIS 171 Cb -0.17 -3.28 -0.10 0.00 1.11 0.00 0.00 32.58 30.14 3h3b s HIS 171 CO 0.16 -0.64 0.82 -2.30 -0.85 0.00 0.00 174.74 171.93 3h3b n PRO 172 N 2.51 0.96 -0.56 8.40 -0.02 -1.26 -4.93 135.00 140.10 3h3b n PRO 172 Ca 0.03 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 3h3b n PRO 172 Cb 0.46 -1.90 0.22 0.00 -0.02 0.00 0.00 33.50 32.27 3h3b n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3b n SER 174 N -4.28 3.51 0.11 0.00 2.88 -1.26 -4.87 113.62 109.71 3h3b n SER 174 Ca 0.05 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.87 3h3b n SER 174 Cb 0.54 -1.57 0.42 0.00 -0.75 0.00 0.00 64.21 62.86 3h3b n SER 174 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3h3b n PRO 175 N 1.14 0.11 0.00 -1.46 -0.02 -1.26 -2.00 135.00 131.51 3h3b n PRO 175 Ca 0.05 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3h3b n PRO 175 Cb 0.37 -1.81 0.72 0.00 -0.02 0.00 0.00 33.50 32.77 3h3b n PRO 175 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3h3b n MET 176 N -2.03 0.66 0.00 -0.52 2.81 -1.26 -5.22 117.12 111.55 3h3b n MET 176 Ca -0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 3h3b n MET 176 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 3h3b n MET 176 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h3b n ARG 181 N 0.00 -1.80 -4.40 0.00 5.12 -1.26 -4.98 116.66 109.34 3h3b n ARG 181 Ca 0.00 1.30 -0.27 0.00 -1.93 0.00 0.00 57.85 56.95 3h3b n ARG 181 Cb 0.00 -2.99 -0.12 0.00 -1.16 0.00 0.00 32.46 28.19 3h3b n ARG 181 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h3b n TRP 183 N 0.59 0.46 -3.91 0.00 7.02 0.31 -4.77 117.44 117.14 3h3b n TRP 183 Ca -0.15 0.13 -0.09 0.00 -1.02 0.00 0.00 57.50 56.37 3h3b n TRP 183 Cb 0.55 -0.74 -0.02 0.00 -2.42 0.00 0.00 31.31 28.67 3h3b n TRP 183 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3h3b s GLY 184 N -4.51 0.40 0.00 6.99 0.00 -1.24 -4.07 107.32 104.89 3h3b s GLY 184 Ca -0.05 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 43.99 3h3b s GLY 184 CO 0.85 -0.40 1.14 -1.84 0.00 0.00 0.00 173.10 172.85 3h3b n GLU 185 N -0.47 1.34 -3.16 2.90 0.28 -1.26 -4.69 120.64 115.56 3h3b n GLU 185 Ca -0.04 -0.52 -0.20 0.00 -0.16 0.00 0.00 57.16 56.23 3h3b n GLU 185 Cb 0.60 -1.13 0.01 0.00 1.43 0.00 0.00 31.44 32.35 3h3b n GLU 185 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3h3b s SER 186 N -1.03 5.82 0.47 -1.84 0.15 -1.26 -4.16 113.70 111.84 3h3b s SER 186 Ca 0.11 -0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.98 3h3b s SER 186 Cb 0.06 -1.25 1.18 0.00 -1.71 0.00 0.00 66.02 64.30 3h3b s SER 186 CO 0.08 -0.64 1.97 0.28 1.20 0.00 0.00 173.24 176.13 3h3b h SER 187 N 0.60 0.00 -0.16 5.45 0.02 -1.95 -2.92 113.55 114.59 3h3b h SER 187 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3h3b h SER 187 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3h3b h SER 187 CO 0.54 0.19 0.00 -0.62 -1.14 0.00 0.00 176.83 175.80 3h3b n GLU 188 N -3.70 1.54 -0.16 3.45 -0.58 -1.26 -4.21 120.64 115.71 3h3b n GLU 188 Ca -0.01 -0.82 0.06 0.00 -0.42 0.00 0.00 57.16 55.96 3h3b n GLU 188 Cb 0.31 -1.31 0.13 0.00 -0.57 0.00 0.00 31.44 30.01 3h3b n GLU 188 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3h3b n ASP 189 N 0.08 2.75 -4.78 1.62 8.00 -1.10 -5.01 116.55 118.11 3h3b n ASP 189 Ca 0.13 -2.55 -0.36 0.00 0.71 0.00 0.00 54.79 52.72 3h3b n ASP 189 Cb 0.24 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3h3b n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81