#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3neg n ASP 10 N 0.00 0.00 -4.50 -3.46 3.85 -1.26 -4.88 116.55 106.30 3neg n ASP 10 Ca 0.00 0.00 -0.34 0.00 -0.71 0.00 0.00 54.79 53.74 3neg n ASP 10 Cb 0.00 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.65 3neg n ASP 10 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3neg s LEU 11 N 0.00 3.20 1.05 -2.12 2.96 -1.26 -5.15 118.68 117.36 3neg s LEU 11 Ca 0.00 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 3neg s LEU 11 Cb 0.00 -1.76 0.14 0.00 0.50 0.00 0.00 46.19 45.07 3neg s LEU 11 CO 0.00 0.20 0.57 0.41 -1.32 0.00 0.00 176.35 176.20 3neg n THR 12 N 3.34 0.00 0.05 3.68 -1.04 -1.26 -4.79 114.28 114.26 3neg n THR 12 Ca -0.18 -0.26 -0.21 0.00 -2.04 0.00 0.00 64.05 61.37 3neg n THR 12 Cb 0.53 -0.78 -0.15 0.00 -1.82 0.00 0.00 70.33 68.11 3neg n THR 12 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3neg h GLN 13 N -2.06 0.32 -0.97 -2.82 5.75 -2.01 -2.39 115.11 110.92 3neg h GLN 13 Ca -0.51 -0.55 0.28 0.00 -0.15 0.00 0.00 58.65 57.72 3neg h GLN 13 Cb 1.32 0.20 -0.04 0.00 1.07 0.00 0.00 27.48 30.03 3neg h GLN 13 CO 0.40 1.26 0.70 -0.44 -2.65 0.00 0.00 178.83 178.11 3neg h ASP 14 N -0.28 0.01 0.00 -0.69 3.45 -2.03 -2.47 116.42 114.42 3neg h ASP 14 Ca -0.20 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 3neg h ASP 14 Cb 1.75 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.52 3neg h ASP 14 CO 0.15 0.00 -0.00 -0.33 -1.57 0.00 0.00 179.24 177.49 3neg h GLU 15 N 0.01 -0.00 -1.40 3.56 5.08 -1.92 -3.33 114.58 116.59 3neg h GLU 15 Ca 0.46 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 59.27 3neg h GLU 15 Cb 1.85 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.98 3neg h GLU 15 CO -0.01 0.57 0.93 0.74 -1.00 0.00 0.00 179.01 180.24 3neg h PHE 16 N -1.00 0.41 0.35 4.33 0.04 -0.95 -2.78 116.94 117.34 3neg h PHE 16 Ca -0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3neg h PHE 16 Cb 0.57 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.63 3neg h PHE 16 CO 0.16 -0.14 -0.17 1.15 -0.60 0.00 0.00 178.31 178.71 3neg h THR 17 N 0.08 0.61 -0.00 -1.55 2.02 -1.64 -3.23 112.91 109.21 3neg h THR 17 Ca 0.81 -0.55 -0.17 0.00 0.77 0.00 0.00 66.41 67.26 3neg h THR 17 Cb 2.68 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.94 3neg h THR 17 CO -0.32 0.10 -0.79 1.56 0.37 0.00 0.00 175.52 176.44 3neg h GLN 18 N -0.81 0.08 0.00 6.66 4.20 -1.65 -3.07 115.11 120.53 3neg h GLN 18 Ca -0.05 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3neg h GLN 18 Cb 0.52 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 3neg h GLN 18 CO 0.08 0.83 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.97 3neg h LEU 19 N 0.05 0.00 0.45 1.46 3.38 -1.66 -3.34 115.31 115.65 3neg h LEU 19 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3neg h LEU 19 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3neg h LEU 19 CO 0.11 0.02 -0.33 -1.28 0.09 0.00 0.00 178.44 177.05 3neg h SER 20 N 0.00 -0.86 -0.21 -0.43 0.87 -1.54 -0.97 113.55 110.40 3neg h SER 20 Ca -0.00 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3neg h SER 20 Cb 0.53 0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 3neg h SER 20 CO 0.00 -0.50 -0.31 1.56 -0.53 0.00 0.00 176.83 177.06 3neg h GLN 21 N -0.77 -0.32 -0.40 2.24 1.08 -1.79 -1.50 115.11 113.66 3neg h GLN 21 Ca -0.04 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 3neg h GLN 21 Cb 0.65 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.07 3neg h GLN 21 CO 0.01 -0.22 -0.17 1.03 -0.95 0.00 0.00 178.83 178.53 3neg h SER 22 N -0.34 -0.60 -0.88 1.46 0.87 -1.67 -1.54 113.55 110.86 3neg h SER 22 Ca 0.12 0.15 0.16 0.00 -1.23 0.00 0.00 61.79 60.98 3neg h SER 22 Cb 0.53 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.75 3neg h SER 22 CO -0.40 -0.21 0.57 0.40 -0.53 0.00 0.00 176.83 176.66 3neg h ILE 23 N -0.10 0.79 -0.78 2.23 2.04 -0.18 -1.29 117.51 120.22 3neg h ILE 23 Ca 0.19 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3neg h ILE 23 Cb 0.40 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3neg h ILE 23 CO -0.46 0.11 0.42 0.00 0.00 0.00 0.00 178.15 178.22 3neg h ALA 24 N 1.61 1.01 0.02 1.87 0.00 -0.62 -1.45 119.26 121.70 3neg h ALA 24 Ca 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3neg h ALA 24 Cb 0.84 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3neg h ALA 24 CO -0.20 0.53 -0.21 1.49 0.00 0.00 0.00 179.25 180.86 3neg h GLU 25 N 1.09 0.11 0.00 0.00 4.81 -1.12 -3.40 114.58 116.07 3neg h GLU 25 Ca 0.27 -0.14 -0.38 0.00 -0.13 0.00 0.00 59.36 58.99 3neg h GLU 25 Cb 0.05 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 3neg h GLU 25 CO -0.04 0.96 -2.42 1.19 -0.73 0.00 0.00 179.01 177.97 3neg n PHE 26 N -4.52 0.00 -1.39 0.92 3.72 -0.59 -4.73 117.46 110.88 3neg n PHE 26 Ca -0.10 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.36 3neg n PHE 26 Cb 0.52 -1.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.25 3neg n PHE 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3neg n HIS 27 N -2.92 0.21 -4.76 1.38 8.25 -0.56 -4.81 115.22 112.00 3neg n HIS 27 Ca -0.37 -1.33 -0.33 0.00 -0.26 0.00 0.00 57.72 55.43 3neg n HIS 27 Cb 1.10 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.79 3neg n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3neg s THR 28 N -3.11 2.29 0.36 1.59 2.01 -1.09 -4.92 115.64 112.77 3neg s THR 28 Ca 0.37 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.51 3neg s THR 28 Cb 0.35 -1.93 -0.07 0.00 0.01 0.00 0.00 72.50 70.86 3neg s THR 28 CO -0.02 0.54 0.04 -0.31 -0.69 0.00 0.00 174.62 174.18 3neg s TYR 29 N 0.68 2.15 0.13 4.92 2.02 -1.26 -5.04 117.35 120.95 3neg s TYR 29 Ca -0.09 -0.87 -0.17 0.00 -0.37 0.00 0.00 57.07 55.57 3neg s TYR 29 Cb -0.16 -1.46 -0.07 0.00 -0.40 0.00 0.00 41.96 39.87 3neg s TYR 29 CO 0.02 0.15 0.58 -1.14 -1.57 0.00 0.00 175.55 173.59 3neg s GLN 30 N -3.83 4.09 -0.01 -0.62 0.74 -1.26 -5.02 119.66 113.75 3neg s GLN 30 Ca 0.35 0.62 0.17 0.00 0.05 0.00 0.00 55.36 56.55 3neg s GLN 30 Cb 0.09 -3.03 -0.19 0.00 1.10 0.00 0.00 33.01 30.98 3neg s GLN 30 CO 0.16 0.52 0.64 1.28 -0.55 0.00 0.00 175.29 177.34 3neg n LEU 31 N 1.11 0.62 0.00 3.68 4.77 -1.26 -4.92 117.00 121.00 3neg n LEU 31 Ca -0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3neg n LEU 31 Cb 0.51 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3neg n LEU 31 CO 0.42 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3neg n GLY 32 N 1.46 1.33 3.93 -0.72 0.00 -1.26 -4.67 105.19 105.26 3neg n GLY 32 Ca -0.14 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3neg n GLY 32 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3neg n ASN 33 N 0.00 -4.61 -1.71 1.61 3.02 -1.26 -1.81 115.26 110.50 3neg n ASN 33 Ca 0.00 -1.18 -0.14 0.00 -0.03 0.00 0.00 54.58 53.23 3neg n ASN 33 Cb 0.00 -2.21 -0.04 0.00 -0.61 0.00 0.00 39.78 36.92 3neg n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3neg n GLY 34 N -1.94 0.80 3.40 7.41 0.00 -1.26 -4.93 105.19 108.67 3neg n GLY 34 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 3neg n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3neg s ARG 35 N -3.74 1.44 -0.03 1.61 0.52 -0.75 -1.05 118.95 116.94 3neg s ARG 35 Ca 0.00 -1.41 0.04 0.00 -0.52 0.00 0.00 55.73 53.84 3neg s ARG 35 Cb 0.00 -1.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.59 3neg s ARG 35 CO 0.00 0.43 -0.14 0.00 0.02 0.00 0.00 175.30 175.61 3neg s SER 37 N -0.03 0.40 -0.10 0.00 1.04 -1.26 -0.66 113.70 113.09 3neg s SER 37 Ca -0.01 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 3neg s SER 37 Cb -0.09 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.32 3neg s SER 37 CO 0.01 -0.55 0.86 -0.55 0.98 0.00 0.00 173.24 173.98 3neg s SER 38 N -2.61 -0.49 -0.08 7.02 0.15 -1.03 -5.01 113.70 111.65 3neg s SER 38 Ca 0.02 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.17 3neg s SER 38 Cb 0.04 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 3neg s SER 38 CO -0.08 -0.48 -0.12 -0.22 1.20 0.00 0.00 173.24 173.54 3neg s LEU 39 N -1.29 1.59 0.00 3.45 2.96 -1.26 -2.39 118.68 121.74 3neg s LEU 39 Ca -0.05 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3neg s LEU 39 Cb -0.00 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 3neg s LEU 39 CO 0.04 0.01 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.07 3neg s LEU 40 N 0.84 2.09 0.32 -0.68 1.02 0.92 -5.00 118.68 118.20 3neg s LEU 40 Ca -0.11 -0.50 0.10 0.00 0.02 0.00 0.00 54.13 53.64 3neg s LEU 40 Cb -0.15 -1.26 -0.06 0.00 0.02 0.00 0.00 46.19 44.74 3neg s LEU 40 CO 0.02 0.28 -0.09 0.00 0.02 0.00 0.00 176.35 176.57 3neg s ALA 41 N -0.66 2.97 -0.30 4.21 0.00 -1.26 -0.96 121.76 125.76 3neg s ALA 41 Ca 0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.05 3neg s ALA 41 Cb -0.10 -0.23 0.17 0.00 0.00 0.00 0.00 23.12 22.97 3neg s ALA 41 CO 0.00 0.14 0.60 -1.14 0.00 0.00 0.00 175.76 175.37 3neg s GLN 42 N -3.61 0.56 0.29 0.00 2.00 -0.57 -4.98 119.66 113.34 3neg s GLN 42 Ca 0.32 1.11 -0.29 0.00 -2.00 0.00 0.00 55.36 54.50 3neg s GLN 42 Cb -0.01 0.60 -0.10 0.00 0.80 0.00 0.00 33.01 34.31 3neg s GLN 42 CO 0.17 -0.50 1.20 0.50 -0.50 0.00 0.00 175.29 176.16 3neg s ARG 43 N 2.85 4.50 -0.05 1.67 3.52 -1.26 -1.25 118.95 128.94 3neg s ARG 43 Ca 0.13 1.99 -0.01 0.00 -0.13 0.00 0.00 55.73 57.71 3neg s ARG 43 Cb -0.14 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.13 3neg s ARG 43 CO -0.20 0.00 -0.00 0.42 -0.81 0.00 0.00 175.30 174.71 3neg s ILE 44 N -0.97 0.30 -1.14 4.11 1.01 0.19 -4.93 121.20 119.76 3neg s ILE 44 Ca 0.48 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 3neg s ILE 44 Cb -0.35 -0.43 0.11 0.00 0.01 0.00 0.00 42.46 41.80 3neg s ILE 44 CO 0.45 0.21 1.47 -1.00 0.00 0.00 0.00 174.94 176.07 3neg s HIS 45 N 1.55 3.00 0.22 3.97 3.76 -1.26 -0.96 115.29 125.58 3neg s HIS 45 Ca -0.02 -1.56 -0.22 0.00 -0.15 0.00 0.00 55.06 53.11 3neg s HIS 45 Cb -0.13 -4.52 0.07 0.00 1.11 0.00 0.00 32.58 29.10 3neg s HIS 45 CO -0.03 -1.65 0.95 0.00 -0.85 0.00 0.00 174.74 173.16 3neg s ALA 46 N 3.32 -1.43 0.18 -1.40 0.00 -1.26 -4.59 121.76 116.57 3neg s ALA 46 Ca 0.45 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 3neg s ALA 46 Cb -0.01 0.71 -0.08 0.00 0.00 0.00 0.00 23.12 23.75 3neg s ALA 46 CO -0.02 -1.04 0.73 -2.14 0.00 0.00 0.00 175.76 173.29 3neg s PRO 47 N -2.61 4.40 0.32 0.00 0.02 -1.26 -3.45 135.00 132.41 3neg s PRO 47 Ca 0.17 0.99 0.09 0.00 0.02 0.00 0.00 61.00 62.28 3neg s PRO 47 Cb -0.03 -3.10 0.91 0.00 0.02 0.00 0.00 34.50 32.29 3neg s PRO 47 CO 0.06 0.51 1.70 -1.00 -0.33 0.00 0.00 177.00 177.93 3neg h PRO 48 N 3.99 0.44 -0.33 5.54 0.13 -1.88 -1.16 132.00 138.73 3neg h PRO 48 Ca -0.48 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 3neg h PRO 48 Cb 1.20 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 3neg h PRO 48 CO 0.65 0.29 0.04 1.05 -0.23 0.00 0.00 178.00 179.80 3neg h GLU 49 N 0.45 0.14 -0.19 0.86 9.09 -1.98 0.35 114.58 123.30 3neg h GLU 49 Ca 0.65 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 60.04 3neg h GLU 49 Cb 1.32 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 3neg h GLU 49 CO -0.53 0.09 0.07 1.15 0.05 0.00 0.00 179.01 179.84 3neg h THR 50 N 0.14 1.17 0.09 -1.06 2.02 -1.62 -0.23 112.91 113.43 3neg h THR 50 Ca 0.16 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3neg h THR 50 Cb 0.19 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3neg h THR 50 CO -0.23 0.17 -0.11 0.58 0.37 0.00 0.00 175.52 176.31 3neg h VAL 51 N 0.15 0.76 -0.84 3.16 2.07 -1.24 -2.73 116.25 117.57 3neg h VAL 51 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3neg h VAL 51 Cb 0.20 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3neg h VAL 51 CO -0.00 0.00 0.55 -0.25 0.02 0.00 0.00 177.57 177.88 3neg h TRP 52 N -0.23 0.84 0.00 1.57 2.91 -0.13 0.36 115.95 121.28 3neg h TRP 52 Ca 0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3neg h TRP 52 Cb 0.23 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 3neg h TRP 52 CO -0.12 0.38 0.00 0.66 -1.03 0.00 0.00 178.44 178.32 3neg h SER 53 N 0.77 0.00 0.04 2.65 4.64 -0.72 0.22 113.55 121.14 3neg h SER 53 Ca 0.39 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.33 3neg h SER 53 Cb 0.49 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.52 3neg h SER 53 CO -0.16 0.00 -2.28 0.52 -0.87 0.00 0.00 176.83 174.04 3neg n VAL 54 N -2.82 1.58 -0.27 0.95 0.31 -0.01 -4.20 118.33 113.87 3neg n VAL 54 Ca -0.02 -0.54 -0.06 0.00 -0.01 0.00 0.00 64.34 63.72 3neg n VAL 54 Cb 0.12 -1.61 0.08 0.00 -0.91 0.00 0.00 33.84 31.52 3neg n VAL 54 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3neg h VAL 55 N -0.17 1.26 0.00 2.52 2.07 -0.49 -1.52 116.25 119.91 3neg h VAL 55 Ca -0.54 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3neg h VAL 55 Cb 1.86 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3neg h VAL 55 CO -0.09 0.34 0.00 0.08 0.02 0.00 0.00 177.57 177.92 3neg h ARG 56 N 1.12 0.00 -4.78 1.57 0.11 -0.81 -3.39 114.38 108.21 3neg h ARG 56 Ca 0.25 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.74 3neg h ARG 56 Cb 0.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 3neg h ARG 56 CO -0.02 0.00 2.14 0.54 0.10 0.00 0.00 179.97 182.74 3neg n ARG 57 N -2.54 1.94 0.32 0.08 5.12 -0.57 -4.70 116.66 116.30 3neg n ARG 57 Ca 0.01 -2.28 0.21 0.00 -1.93 0.00 0.00 57.85 53.86 3neg n ARG 57 Cb 0.21 -3.24 1.09 0.00 -1.16 0.00 0.00 32.46 29.36 3neg n ARG 57 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3neg h PHE 58 N 7.97 0.00 -0.00 -1.55 3.57 -1.86 0.79 116.94 125.85 3neg h PHE 58 Ca 0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 3neg h PHE 58 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3neg h PHE 58 CO 1.29 0.00 -0.56 -0.40 -2.23 0.00 0.00 178.31 176.41 3neg n ASP 59 N -3.02 0.71 -3.06 0.41 3.85 -1.26 -4.44 116.55 109.74 3neg n ASP 59 Ca -0.02 -0.52 -0.24 0.00 -0.71 0.00 0.00 54.79 53.30 3neg n ASP 59 Cb 0.11 0.38 -0.04 0.00 -1.35 0.00 0.00 41.12 40.22 3neg n ASP 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3neg n ARG 60 N -1.34 2.44 0.17 0.11 5.12 0.27 -4.88 116.66 118.54 3neg n ARG 60 Ca 0.06 -4.36 0.02 0.00 -1.93 0.00 0.00 57.85 51.64 3neg n ARG 60 Cb 0.34 -2.05 0.27 0.00 -1.16 0.00 0.00 32.46 29.86 3neg n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3neg h PRO 61 N 3.13 0.00 0.00 5.56 0.13 -1.77 -2.81 132.00 136.24 3neg h PRO 61 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3neg h PRO 61 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3neg h PRO 61 CO 0.72 0.48 0.00 0.00 -0.23 0.00 0.00 178.00 178.97 3neg n GLN 62 N -3.75 0.86 -0.12 0.86 -0.00 -1.26 -1.57 117.38 112.40 3neg n GLN 62 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.88 3neg n GLN 62 Cb 0.54 -1.01 -0.03 0.00 -0.00 0.00 0.00 30.24 29.73 3neg n GLN 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3neg h ILE 63 N 0.00 1.28 0.00 -0.39 2.04 -1.90 -3.39 117.51 115.15 3neg h ILE 63 Ca 0.00 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3neg h ILE 63 Cb 0.00 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3neg h ILE 63 CO 0.00 0.38 -0.85 0.00 0.00 0.00 0.00 178.15 177.67 3neg n TYR 64 N -4.40 0.00 -3.06 1.37 0.18 -1.11 -4.98 117.16 105.16 3neg n TYR 64 Ca -0.02 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.41 3neg n TYR 64 Cb 0.34 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.24 3neg n TYR 64 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3neg s LYS 65 N -1.82 4.20 0.50 -3.48 1.02 -0.61 -4.40 119.74 115.15 3neg s LYS 65 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.86 3neg s LYS 65 Cb 0.00 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3neg s LYS 65 CO 0.00 0.26 0.73 -1.01 -0.92 0.00 0.00 175.35 174.41 3neg s HIS 66 N -1.75 3.09 -1.02 3.18 3.76 -1.26 -4.49 115.29 116.80 3neg s HIS 66 Ca 0.49 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 3neg s HIS 66 Cb -0.14 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.03 3neg s HIS 66 CO 0.19 -0.60 0.00 1.19 -0.85 0.00 0.00 174.74 174.68 3neg n PHE 67 N -2.22 -0.12 -4.18 1.40 3.72 -1.26 -5.01 117.46 109.79 3neg n PHE 67 Ca 0.04 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.10 3neg n PHE 67 Cb 0.58 -2.05 -0.14 0.00 -0.94 0.00 0.00 39.48 36.93 3neg n PHE 67 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3neg s ILE 68 N -2.40 3.39 -0.18 4.37 1.01 -1.26 -1.64 121.20 124.49 3neg s ILE 68 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 3neg s ILE 68 Cb 0.00 -2.51 -0.22 0.00 0.01 0.00 0.00 42.46 39.75 3neg s ILE 68 CO 0.00 0.46 0.11 1.17 0.00 0.00 0.00 174.94 176.68 3neg n LYS 69 N 4.30 0.69 -3.68 2.79 4.81 0.07 -4.94 118.16 122.20 3neg n LYS 69 Ca -0.18 0.27 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 3neg n LYS 69 Cb 0.52 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.84 3neg n LYS 69 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3neg s SER 70 N -6.90 -0.58 -0.30 3.14 1.04 -1.23 -5.01 113.70 103.86 3neg s SER 70 Ca -0.28 1.08 -0.03 0.00 0.48 0.00 0.00 55.95 57.19 3neg s SER 70 Cb 0.08 1.09 0.11 0.00 0.10 0.00 0.00 66.02 67.40 3neg s SER 70 CO 0.68 -0.22 0.15 0.00 0.98 0.00 0.00 173.24 174.82 3neg s ASN 72 N 1.98 5.28 0.29 0.00 2.20 -1.05 -4.91 114.94 118.73 3neg s ASN 72 Ca 0.10 -0.28 0.01 0.00 -0.94 0.00 0.00 52.86 51.75 3neg s ASN 72 Cb -0.17 -1.29 -0.00 0.00 -2.00 0.00 0.00 41.25 37.79 3neg s ASN 72 CO -0.32 0.02 0.04 1.33 -2.94 0.00 0.00 177.10 175.23 3neg n VAL 73 N -0.69 0.00 -1.76 3.54 0.24 -1.26 -2.39 118.33 116.01 3neg n VAL 73 Ca -0.08 -1.49 -0.41 0.00 -2.04 0.00 0.00 64.34 60.32 3neg n VAL 73 Cb 0.56 0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 33.32 3neg n VAL 73 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3neg s SER 74 N -2.67 6.33 0.00 -1.34 0.01 -1.26 -4.86 113.70 109.91 3neg s SER 74 Ca 0.05 3.02 0.13 0.00 1.31 0.00 0.00 55.95 60.46 3neg s SER 74 Cb 0.00 -2.65 0.73 0.00 0.21 0.00 0.00 66.02 64.31 3neg s SER 74 CO 0.04 -0.92 1.27 1.21 0.41 0.00 0.00 173.24 175.25 3neg n GLU 75 N 1.49 0.30 -3.05 12.44 2.13 -1.26 -1.92 120.64 130.78 3neg n GLU 75 Ca 0.05 0.08 -0.25 0.00 0.66 0.00 0.00 57.16 57.70 3neg n GLU 75 Cb 0.38 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.55 3neg n GLU 75 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3neg n ASP 76 N -1.14 3.52 -4.79 4.31 3.85 -1.26 -5.09 116.55 115.95 3neg n ASP 76 Ca 0.08 -3.49 -0.38 0.00 -0.71 0.00 0.00 54.79 50.30 3neg n ASP 76 Cb 0.07 -0.59 -0.06 0.00 -1.35 0.00 0.00 41.12 39.19 3neg n ASP 76 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3neg s PHE 77 N -3.08 3.61 -0.11 2.11 5.36 -0.81 -5.08 117.98 120.00 3neg s PHE 77 Ca 0.46 0.86 0.01 0.00 -0.96 0.00 0.00 56.93 57.29 3neg s PHE 77 Cb 0.28 -2.34 0.02 0.00 -0.34 0.00 0.00 43.02 40.63 3neg s PHE 77 CO -0.11 0.45 -0.12 -2.00 -1.46 0.00 0.00 175.22 171.98 3neg s GLU 78 N -0.35 1.91 -0.82 10.12 2.12 -1.26 -5.06 118.70 125.36 3neg s GLU 78 Ca 0.22 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 54.87 3neg s GLU 78 Cb -0.15 -1.73 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 3neg s GLU 78 CO 0.10 -0.13 1.96 1.41 -0.54 0.00 0.00 175.26 178.06 3neg s MET 79 N 1.22 2.51 0.05 4.30 -2.45 -1.26 -4.82 119.30 118.85 3neg s MET 79 Ca -0.03 0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.40 3neg s MET 79 Cb -0.14 -4.87 -0.03 0.00 1.25 0.00 0.00 34.83 31.04 3neg s MET 79 CO -0.04 -3.27 0.01 -0.98 1.05 0.00 0.00 175.02 171.78 3neg s ARG 80 N 7.14 0.60 0.20 4.11 1.70 -1.26 -5.10 118.95 126.35 3neg s ARG 80 Ca 0.71 -1.08 -0.32 0.00 -0.47 0.00 0.00 55.73 54.57 3neg s ARG 80 Cb -0.09 0.21 -0.15 0.00 -0.57 0.00 0.00 34.95 34.36 3neg s ARG 80 CO 0.06 -0.12 1.21 0.28 -1.08 0.00 0.00 175.30 175.65 3neg n VAL 81 N 0.32 1.03 0.00 4.99 0.31 -1.26 -1.81 118.33 121.91 3neg n VAL 81 Ca -0.16 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3neg n VAL 81 Cb 0.60 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3neg n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3neg n GLY 82 N 1.97 2.23 3.81 2.92 0.00 -0.46 -5.03 105.19 110.62 3neg n GLY 82 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3neg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3neg s THR 84 N -2.65 2.19 -0.11 0.00 -4.23 -1.26 -0.98 115.64 108.59 3neg s THR 84 Ca 0.62 -2.21 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3neg s THR 84 Cb -0.15 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.13 3neg s THR 84 CO 0.43 -0.23 0.28 0.00 -0.54 0.00 0.00 174.62 174.56 3neg s ARG 85 N -3.61 0.27 -0.14 3.99 1.70 0.59 -4.67 118.95 117.07 3neg s ARG 85 Ca 0.32 0.53 -0.15 0.00 -0.47 0.00 0.00 55.73 55.96 3neg s ARG 85 Cb 0.02 -0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 3neg s ARG 85 CO 0.16 -0.13 0.34 -0.51 -1.08 0.00 0.00 175.30 174.08 3neg s ASP 86 N 0.96 6.52 -0.05 -2.89 1.11 -1.00 -0.73 116.67 120.58 3neg s ASP 86 Ca -0.07 0.61 0.07 0.00 0.18 0.00 0.00 52.55 53.34 3neg s ASP 86 Cb -0.08 -2.21 -0.01 0.00 1.07 0.00 0.00 42.92 41.69 3neg s ASP 86 CO -0.07 0.10 -0.25 0.68 1.18 0.00 0.00 175.17 176.81 3neg s VAL 87 N 0.38 2.03 -0.37 -1.27 -7.23 -0.73 -2.52 120.40 110.69 3neg s VAL 87 Ca 0.19 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.12 3neg s VAL 87 Cb -0.14 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.09 3neg s VAL 87 CO 0.06 0.57 0.43 0.20 -0.31 0.00 0.00 175.10 176.05 3neg s ASN 88 N -0.29 6.22 -0.02 4.85 -0.87 0.65 -1.22 114.94 124.26 3neg s ASN 88 Ca 0.00 -0.33 -0.16 0.00 -1.57 0.00 0.00 52.86 50.80 3neg s ASN 88 Cb -0.13 -2.23 -0.05 0.00 -0.02 0.00 0.00 41.25 38.82 3neg s ASN 88 CO 0.02 -0.47 0.43 -0.69 -2.57 0.00 0.00 177.10 173.82 3neg s VAL 89 N 2.18 5.05 -0.44 1.60 1.01 -0.66 -0.75 120.40 128.38 3neg s VAL 89 Ca 0.14 0.88 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 3neg s VAL 89 Cb -0.16 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3neg s VAL 89 CO 0.13 0.52 0.90 0.27 0.00 0.00 0.00 175.10 176.92 3neg s ILE 90 N -0.69 4.52 -0.09 2.22 -4.36 -0.65 -4.23 121.20 117.92 3neg s ILE 90 Ca 0.24 0.76 0.13 0.00 -0.26 0.00 0.00 60.65 61.52 3neg s ILE 90 Cb -0.16 -4.40 0.20 0.00 1.25 0.00 0.00 42.46 39.34 3neg s ILE 90 CO 0.13 -0.77 1.09 -1.54 0.24 0.00 0.00 174.94 174.09 3neg n SER 91 N 7.03 2.01 0.00 4.36 3.41 -1.26 -4.85 113.62 124.32 3neg n SER 91 Ca 0.06 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 3neg n SER 91 Cb 0.48 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3neg n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3neg n GLY 92 N -1.08 1.72 3.87 5.00 0.00 -1.26 -4.92 105.19 108.51 3neg n GLY 92 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3neg n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3neg s LEU 93 N 0.00 4.38 0.00 0.99 1.43 -1.26 -5.04 118.68 119.18 3neg s LEU 93 Ca 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3neg s LEU 93 Cb 0.00 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.49 3neg s LEU 93 CO 0.00 0.25 0.00 -2.65 0.23 0.00 0.00 176.35 174.18 3neg n PRO 94 N 1.22 0.00 -2.51 1.29 -0.02 -1.26 -3.84 135.00 129.87 3neg n PRO 94 Ca -0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.06 3neg n PRO 94 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3neg n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3neg n ALA 95 N 0.00 5.31 -1.57 3.55 0.00 -1.26 -4.90 120.51 121.65 3neg n ALA 95 Ca 0.00 -4.41 -0.59 0.00 0.00 0.00 0.00 53.44 48.43 3neg n ALA 95 Cb 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 3neg n ALA 95 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3neg n ASN 96 N -0.40 1.71 -4.46 0.00 5.15 -1.25 -4.91 115.26 111.10 3neg n ASN 96 Ca 0.40 0.89 -0.30 0.00 -0.60 0.00 0.00 54.58 54.97 3neg n ASN 96 Cb 0.48 -1.05 -0.12 0.00 -0.53 0.00 0.00 39.78 38.56 3neg n ASN 96 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3neg s THR 97 N 4.69 2.75 -0.21 -0.44 -1.32 -1.26 -1.65 115.64 118.21 3neg s THR 97 Ca 1.07 -1.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.09 3neg s THR 97 Cb -1.23 -2.22 0.08 0.00 -1.51 0.00 0.00 72.50 67.63 3neg s THR 97 CO 0.66 0.19 0.17 -0.55 -2.21 0.00 0.00 174.62 172.88 3neg s SER 98 N -1.88 1.97 -0.23 8.08 0.15 -0.36 -3.86 113.70 117.57 3neg s SER 98 Ca 0.16 -0.51 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 3neg s SER 98 Cb -0.10 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 3neg s SER 98 CO 0.08 -0.35 0.70 -0.60 1.20 0.00 0.00 173.24 174.27 3neg s ARG 99 N 2.24 4.17 -0.12 5.44 3.52 0.19 -1.77 118.95 132.62 3neg s ARG 99 Ca 0.05 0.71 0.02 0.00 -0.13 0.00 0.00 55.73 56.39 3neg s ARG 99 Cb -0.16 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 3neg s ARG 99 CO -0.15 -0.39 -0.19 -1.21 -0.81 0.00 0.00 175.30 172.55 3neg s GLU 100 N 2.41 2.66 -0.13 5.12 2.02 0.09 -1.11 118.70 129.77 3neg s GLU 100 Ca 0.30 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.52 3neg s GLU 100 Cb -0.16 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3neg s GLU 100 CO 0.09 0.01 0.03 0.50 0.02 0.00 0.00 175.26 175.90 3neg s ARG 101 N 0.78 3.47 0.01 1.61 3.52 -0.59 -0.30 118.95 127.45 3neg s ARG 101 Ca -0.09 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 3neg s ARG 101 Cb -0.16 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 3neg s ARG 101 CO 0.00 0.49 1.18 -1.17 -0.81 0.00 0.00 175.30 174.99 3neg s LEU 102 N -0.27 4.34 -0.02 -0.88 2.96 -0.15 -1.80 118.68 122.86 3neg s LEU 102 Ca 0.07 1.91 0.17 0.00 -0.22 0.00 0.00 54.13 56.05 3neg s LEU 102 Cb -0.12 -3.57 -0.26 0.00 0.50 0.00 0.00 46.19 42.74 3neg s LEU 102 CO 0.02 -0.49 0.37 0.47 -1.32 0.00 0.00 176.35 175.40 3neg n ASP 103 N 4.38 1.21 -3.65 3.68 8.00 0.34 -1.36 116.55 129.15 3neg n ASP 103 Ca 0.09 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 3neg n ASP 103 Cb 0.47 1.74 -0.08 0.00 -0.02 0.00 0.00 41.12 43.24 3neg n ASP 103 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3neg s LEU 104 N -4.13 -0.62 -0.30 0.64 1.43 -1.19 -4.89 118.68 109.63 3neg s LEU 104 Ca -0.06 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 3neg s LEU 104 Cb 0.11 2.24 0.15 0.00 0.03 0.00 0.00 46.19 48.71 3neg s LEU 104 CO 0.69 -0.23 0.84 -0.22 0.23 0.00 0.00 176.35 177.65 3neg s LEU 105 N 0.79 -0.82 -0.39 1.79 0.20 -1.24 -2.69 118.68 116.31 3neg s LEU 105 Ca -0.03 1.15 0.03 0.00 0.69 0.00 0.00 54.13 55.97 3neg s LEU 105 Cb -0.05 1.96 0.16 0.00 -0.43 0.00 0.00 46.19 47.83 3neg s LEU 105 CO -0.06 -0.16 0.38 -0.62 -0.29 0.00 0.00 176.35 175.60 3neg s ASP 106 N 2.52 1.22 0.61 3.68 3.68 -0.59 -4.97 116.67 122.82 3neg s ASP 106 Ca -0.05 -2.03 0.29 0.00 2.13 0.00 0.00 52.55 52.89 3neg s ASP 106 Cb -0.08 0.33 1.53 0.00 -1.45 0.00 0.00 42.92 43.25 3neg s ASP 106 CO -0.18 -0.22 1.92 0.44 0.13 0.00 0.00 175.17 177.26 3neg h ASP 107 N 6.51 0.00 0.46 -0.34 3.45 -1.97 0.16 116.42 124.69 3neg h ASP 107 Ca 0.10 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 3neg h ASP 107 Cb 1.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 3neg h ASP 107 CO 0.23 0.00 -0.22 0.44 -1.57 0.00 0.00 179.24 178.11 3neg h ASP 108 N 0.00 -0.52 1.43 6.45 3.32 -1.96 -3.32 116.42 121.81 3neg h ASP 108 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3neg h ASP 108 Cb 0.98 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3neg h ASP 108 CO -0.00 -0.13 0.00 0.54 -1.72 0.00 0.00 179.24 177.93 3neg n ARG 109 N -5.03 0.25 -2.63 3.56 1.74 -0.96 -4.97 116.66 108.63 3neg n ARG 109 Ca -0.08 0.22 -0.04 0.00 -0.77 0.00 0.00 57.85 57.18 3neg n ARG 109 Cb 0.24 -1.80 0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3neg n ARG 109 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3neg n ARG 110 N -2.24 -1.63 -3.71 5.56 1.74 0.51 -4.69 116.66 112.21 3neg n ARG 110 Ca 0.05 1.64 -0.14 0.00 -0.77 0.00 0.00 57.85 58.64 3neg n ARG 110 Cb 0.42 -4.85 -0.14 0.00 -1.02 0.00 0.00 32.46 26.87 3neg n ARG 110 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3neg s VAL 111 N -2.51 -0.16 0.37 1.55 1.01 -1.19 -2.56 120.40 116.90 3neg s VAL 111 Ca 0.14 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.37 3neg s VAL 111 Cb -0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3neg s VAL 111 CO 0.61 0.09 0.14 0.28 0.00 0.00 0.00 175.10 176.22 3neg s THR 112 N 1.65 0.53 0.00 3.92 -1.32 -0.69 -1.54 115.64 118.19 3neg s THR 112 Ca -0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 3neg s THR 112 Cb -0.11 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 3neg s THR 112 CO -0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 3neg n GLY 113 N -0.78 1.27 2.90 6.08 0.00 -1.10 -0.93 105.19 112.64 3neg n GLY 113 Ca -0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3neg n GLY 113 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3neg n PHE 114 N -0.08 -0.63 -3.80 1.61 1.16 -0.73 -0.50 117.46 114.49 3neg n PHE 114 Ca 0.00 -2.51 -0.13 0.00 -1.87 0.00 0.00 57.45 52.94 3neg n PHE 114 Cb 0.00 0.23 -0.14 0.00 -1.61 0.00 0.00 39.48 37.97 3neg n PHE 114 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 3neg s SER 115 N -3.11 -0.10 -0.51 5.98 0.01 -0.74 -1.50 113.70 113.72 3neg s SER 115 Ca 0.34 0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.61 3neg s SER 115 Cb 0.02 0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.48 3neg s SER 115 CO 0.24 -0.09 0.84 -0.63 0.41 0.00 0.00 173.24 174.01 3neg s ILE 116 N 0.56 4.55 -0.98 1.44 1.01 -0.99 -1.54 121.20 125.26 3neg s ILE 116 Ca -0.04 0.18 0.23 0.00 0.00 0.00 0.00 60.65 61.02 3neg s ILE 116 Cb -0.06 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 3neg s ILE 116 CO -0.02 -0.94 1.21 0.35 0.00 0.00 0.00 174.94 175.53 3neg n THR 117 N 6.07 0.01 -3.64 2.92 -2.24 -0.27 -4.11 114.28 113.02 3neg n THR 117 Ca 0.00 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 3neg n THR 117 Cb 0.47 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 3neg n THR 117 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3neg s GLY 118 N -3.04 -0.04 0.00 3.38 0.00 -1.21 -5.01 107.32 101.40 3neg s GLY 118 Ca 0.10 2.42 0.00 0.00 0.00 0.00 0.00 44.72 47.23 3neg s GLY 118 CO 0.77 0.90 0.00 0.61 0.00 0.00 0.00 173.10 175.38 3neg n GLY 119 N 0.29 3.07 3.02 0.20 0.00 -1.26 0.58 105.19 111.08 3neg n GLY 119 Ca 0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 3neg n GLY 119 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3neg s GLU 120 N 0.00 2.10 0.00 1.61 -1.05 -1.25 -4.62 118.70 115.48 3neg s GLU 120 Ca 0.00 -1.06 -0.01 0.00 -0.15 0.00 0.00 54.97 53.75 3neg s GLU 120 Cb 0.00 -2.64 -0.06 0.00 -0.44 0.00 0.00 34.13 30.99 3neg s GLU 120 CO 0.00 -0.50 2.14 0.72 0.95 0.00 0.00 175.26 178.57 3neg n HIS 121 N 4.58 0.00 0.00 4.83 8.25 -1.26 -2.58 115.22 129.04 3neg n HIS 121 Ca -0.14 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.33 3neg n HIS 121 Cb 0.45 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.83 3neg n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3neg n ARG 122 N 1.83 4.77 -3.14 -0.41 -4.01 -1.26 -4.78 116.66 109.66 3neg n ARG 122 Ca 0.10 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.73 3neg n ARG 122 Cb 0.53 -0.50 -0.02 0.00 -3.04 0.00 0.00 32.46 29.43 3neg n ARG 122 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 3neg n LEU 123 N -0.89 0.42 -4.67 2.89 4.77 -1.07 -4.83 117.00 113.63 3neg n LEU 123 Ca 0.00 -4.84 -0.42 0.00 -0.03 0.00 0.00 56.01 50.72 3neg n LEU 123 Cb 0.00 0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 3neg n LEU 123 CO 0.00 2.25 1.34 -0.13 -1.33 0.00 0.00 177.39 179.51 3neg s ARG 124 N -2.02 4.20 -0.33 3.23 1.81 -1.26 -3.09 118.95 121.49 3neg s ARG 124 Ca 0.38 2.23 0.00 0.00 -1.72 0.00 0.00 55.73 56.62 3neg s ARG 124 Cb 0.33 -3.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.01 3neg s ARG 124 CO -0.08 -0.78 0.00 0.09 -0.68 0.00 0.00 175.30 173.85 3neg n ASN 125 N 6.42 -2.46 -4.63 0.23 3.02 -1.26 -2.65 115.26 113.94 3neg n ASN 125 Ca 0.16 0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 3neg n ASN 125 Cb 0.42 -1.24 0.05 0.00 -0.61 0.00 0.00 39.78 38.40 3neg n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3neg n TYR 126 N -3.56 0.98 -3.15 3.10 9.36 -1.18 -4.40 117.16 118.30 3neg n TYR 126 Ca -0.04 0.45 0.04 0.00 3.32 0.00 0.00 57.90 61.67 3neg n TYR 126 Cb 0.37 -2.17 -0.01 0.00 -0.63 0.00 0.00 39.34 36.90 3neg n TYR 126 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3neg s LYS 127 N -2.70 0.50 0.24 2.98 2.20 -0.89 -2.35 119.74 119.72 3neg s LYS 127 Ca 0.74 0.78 0.09 0.00 -0.36 0.00 0.00 55.97 57.23 3neg s LYS 127 Cb -0.43 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 3neg s LYS 127 CO 0.48 -0.64 -0.04 -1.54 -0.36 0.00 0.00 175.35 173.25 3neg s SER 128 N 2.87 4.42 -0.01 1.43 1.04 -0.56 -2.44 113.70 120.45 3neg s SER 128 Ca 0.16 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.97 3neg s SER 128 Cb -0.13 -0.79 -0.00 0.00 0.10 0.00 0.00 66.02 65.20 3neg s SER 128 CO -0.21 0.04 -0.06 -0.69 0.98 0.00 0.00 173.24 173.30 3neg s VAL 129 N -2.13 0.50 -0.06 5.02 1.01 -0.91 -1.78 120.40 122.05 3neg s VAL 129 Ca 0.29 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3neg s VAL 129 Cb -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 3neg s VAL 129 CO 0.18 0.15 -0.20 -0.89 0.00 0.00 0.00 175.10 174.35 3neg s THR 130 N 0.01 1.70 0.02 3.92 2.01 -0.10 -1.80 115.64 121.40 3neg s THR 130 Ca 0.00 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.20 3neg s THR 130 Cb -0.04 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3neg s THR 130 CO -0.00 0.48 -0.12 0.42 -0.69 0.00 0.00 174.62 174.71 3neg s THR 131 N 0.15 0.92 0.09 -0.82 -4.23 0.43 -1.70 115.64 110.47 3neg s THR 131 Ca -0.09 -0.81 0.07 0.00 -1.18 0.00 0.00 61.69 59.68 3neg s THR 131 Cb -0.14 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 3neg s THR 131 CO 0.04 0.02 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.32 3neg s VAL 132 N -0.71 3.13 -0.03 2.29 1.01 -1.06 -0.49 120.40 124.54 3neg s VAL 132 Ca 0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 3neg s VAL 132 Cb -0.07 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3neg s VAL 132 CO 0.01 0.18 0.09 -1.00 0.00 0.00 0.00 175.10 174.37 3neg s HIS 133 N -1.12 -0.06 0.09 5.22 3.76 -0.58 -4.84 115.29 117.77 3neg s HIS 133 Ca 0.19 0.15 -0.05 0.00 -0.15 0.00 0.00 55.06 55.20 3neg s HIS 133 Cb -0.11 0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 3neg s HIS 133 CO 0.10 -0.08 0.32 0.50 -0.85 0.00 0.00 174.74 174.73 3neg s ARG 134 N -0.21 3.58 -0.02 1.40 3.52 -1.26 -2.18 118.95 123.77 3neg s ARG 134 Ca -0.03 -0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.42 3neg s ARG 134 Cb -0.02 -2.96 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 3neg s ARG 134 CO 0.00 0.55 0.07 -0.06 -0.81 0.00 0.00 175.30 175.05 3neg s PHE 135 N -1.52 -0.07 -0.05 5.12 0.08 -0.92 -4.96 117.98 115.67 3neg s PHE 135 Ca 0.36 0.17 -0.16 0.00 0.12 0.00 0.00 56.93 57.42 3neg s PHE 135 Cb -0.13 0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.29 3neg s PHE 135 CO 0.23 -0.04 0.43 -1.83 -0.10 0.00 0.00 175.22 173.90 3neg s GLU 136 N -0.00 4.09 0.00 0.44 -1.05 -1.26 -3.13 118.70 117.78 3neg s GLU 136 Ca -0.00 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 3neg s GLU 136 Cb -0.01 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 3neg s GLU 136 CO 0.00 0.49 0.00 1.63 0.95 0.00 0.00 175.26 178.33 3neg n LYS 137 N 2.52 0.00 -3.58 -4.83 4.76 -1.26 -4.98 118.16 110.79 3neg n LYS 137 Ca -0.12 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.24 3neg n LYS 137 Cb 0.52 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.62 3neg n LYS 137 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3neg s ILE 144 N 0.75 -0.62 0.42 -0.18 2.07 -1.26 -5.35 121.20 117.02 3neg s ILE 144 Ca 0.00 0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.40 3neg s ILE 144 Cb 0.00 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 3neg s ILE 144 CO 0.00 0.03 0.13 -1.66 -1.91 0.00 0.00 174.94 171.53 3neg s TRP 145 N 2.58 1.79 0.03 3.50 -2.14 -1.18 -4.45 118.94 119.07 3neg s TRP 145 Ca 0.02 -1.29 0.05 0.00 2.66 0.00 0.00 56.10 57.54 3neg s TRP 145 Cb -0.13 -1.17 -0.02 0.00 -3.10 0.00 0.00 33.47 29.05 3neg s TRP 145 CO -0.13 -0.29 -0.13 0.99 -2.66 0.00 0.00 176.95 174.72 3neg s THR 146 N -3.19 1.06 -0.16 0.66 2.01 -0.13 -2.18 115.64 113.71 3neg s THR 146 Ca 0.23 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3neg s THR 146 Cb 0.02 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.60 3neg s THR 146 CO 0.14 0.06 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.25 3neg s VAL 147 N -0.73 1.94 0.02 3.82 1.01 -0.93 0.57 120.40 126.11 3neg s VAL 147 Ca 0.02 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3neg s VAL 147 Cb -0.07 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 3neg s VAL 147 CO 0.01 0.52 0.43 -0.69 0.00 0.00 0.00 175.10 175.37 3neg s VAL 148 N 1.21 5.00 -0.14 2.92 1.01 -0.38 -1.52 120.40 128.49 3neg s VAL 148 Ca 0.02 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.87 3neg s VAL 148 Cb -0.14 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3neg s VAL 148 CO -0.10 0.54 -0.22 -0.76 0.00 0.00 0.00 175.10 174.57 3neg s LEU 149 N -1.19 2.11 -0.02 3.92 1.02 0.35 -1.51 118.68 123.36 3neg s LEU 149 Ca 0.26 -0.61 0.07 0.00 0.02 0.00 0.00 54.13 53.86 3neg s LEU 149 Cb -0.17 -1.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.58 3neg s LEU 149 CO 0.15 0.07 -0.22 -0.70 0.02 0.00 0.00 176.35 175.67 3neg s GLU 150 N 0.86 1.81 0.35 1.70 2.12 -0.13 -0.43 118.70 124.97 3neg s GLU 150 Ca -0.06 -0.78 0.07 0.00 0.36 0.00 0.00 54.97 54.56 3neg s GLU 150 Cb -0.15 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 3neg s GLU 150 CO -0.03 0.45 0.26 -1.54 -0.54 0.00 0.00 175.26 173.87 3neg s SER 151 N -0.47 1.92 0.10 -1.70 1.04 -0.74 -0.05 113.70 113.80 3neg s SER 151 Ca 0.07 -1.77 -0.27 0.00 0.48 0.00 0.00 55.95 54.47 3neg s SER 151 Cb -0.09 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.68 3neg s SER 151 CO -0.00 -1.06 1.00 -0.72 0.98 0.00 0.00 173.24 173.44 3neg s TYR 152 N -3.38 -0.15 -0.10 5.02 1.13 -1.00 -2.15 117.35 116.72 3neg s TYR 152 Ca 0.38 -0.10 -0.08 0.00 -1.41 0.00 0.00 57.07 55.87 3neg s TYR 152 Cb 0.02 0.61 0.03 0.00 -1.10 0.00 0.00 41.96 41.52 3neg s TYR 152 CO 0.26 -0.69 0.24 0.54 -2.51 0.00 0.00 175.55 173.40 3neg s VAL 153 N -3.12 -0.01 0.01 -3.49 0.11 -1.02 -2.46 120.40 110.42 3neg s VAL 153 Ca 0.11 0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.14 3neg s VAL 153 Cb -0.00 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 3neg s VAL 153 CO -0.00 0.02 0.12 0.54 -3.33 0.00 0.00 175.10 172.44 3neg s VAL 154 N 0.43 0.10 0.84 2.04 0.11 0.17 -2.08 120.40 122.00 3neg s VAL 154 Ca -0.02 -0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 58.11 3neg s VAL 154 Cb -0.04 -0.55 0.10 0.00 -1.53 0.00 0.00 36.38 34.36 3neg s VAL 154 CO -0.02 -0.44 1.16 -1.81 -3.33 0.00 0.00 175.10 170.65 3neg s ASP 155 N -1.60 3.49 -0.31 3.54 1.11 -1.08 -0.91 116.67 120.91 3neg s ASP 155 Ca -0.12 2.18 -0.10 0.00 0.18 0.00 0.00 52.55 54.69 3neg s ASP 155 Cb -0.06 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3neg s ASP 155 CO -0.00 -2.72 0.15 -0.69 1.18 0.00 0.00 175.17 173.09 3neg s VAL 156 N -2.51 4.67 -0.42 -1.27 1.01 -0.22 -4.69 120.40 116.97 3neg s VAL 156 Ca 0.68 -0.35 -0.43 0.00 0.00 0.00 0.00 61.98 61.87 3neg s VAL 156 Cb -0.24 -3.36 -0.18 0.00 0.00 0.00 0.00 36.38 32.61 3neg s VAL 156 CO 0.54 0.09 1.79 -2.65 0.00 0.00 0.00 175.10 174.88 3neg n PRO 157 N 4.99 0.43 -0.25 2.72 -0.02 -1.26 -4.75 135.00 136.86 3neg n PRO 157 Ca -0.14 0.15 0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3neg n PRO 157 Cb 0.49 -1.76 0.55 0.00 -0.02 0.00 0.00 33.50 32.77 3neg n PRO 157 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3neg h GLU 158 N 7.00 0.00 0.11 -0.52 4.39 -1.97 0.24 114.58 123.84 3neg h GLU 158 Ca -0.37 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.13 3neg h GLU 158 Cb 1.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.02 3neg h GLU 158 CO 1.00 0.00 -0.99 0.78 -1.16 0.00 0.00 179.01 178.64 3neg h GLY 159 N 0.00 0.26 -0.63 -3.84 0.00 -2.02 -3.48 103.07 93.36 3neg h GLY 159 Ca 0.52 -0.67 -0.31 0.00 0.00 0.00 0.00 47.33 46.87 3neg h GLY 159 CO -0.01 0.59 0.25 0.70 0.00 0.00 0.00 176.54 178.07 3neg n ASN 160 N -4.12 -0.42 -4.80 0.19 3.02 0.07 -5.09 115.26 104.11 3neg n ASN 160 Ca -0.19 -1.25 -0.22 0.00 -0.03 0.00 0.00 54.58 52.89 3neg n ASN 160 Cb 0.81 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 3neg n ASN 160 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3neg s SER 161 N -4.31 4.94 0.15 6.41 1.04 -1.26 -4.86 113.70 115.80 3neg s SER 161 Ca 0.54 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 3neg s SER 161 Cb -0.02 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.35 3neg s SER 161 CO 0.39 -0.41 1.81 -0.08 0.98 0.00 0.00 173.24 175.93 3neg h GLU 162 N 1.33 0.49 -0.53 4.02 4.81 -1.98 -2.83 114.58 119.90 3neg h GLU 162 Ca -0.44 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3neg h GLU 162 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3neg h GLU 162 CO 0.61 0.32 0.13 1.05 -0.73 0.00 0.00 179.01 180.40 3neg h GLU 163 N 0.50 0.81 0.49 1.92 4.11 -1.99 -1.72 114.58 118.70 3neg h GLU 163 Ca 0.14 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 3neg h GLU 163 Cb -0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3neg h GLU 163 CO -0.04 0.73 -0.24 -0.44 0.07 0.00 0.00 179.01 179.09 3neg h ASP 164 N 0.78 -0.56 0.17 3.06 5.19 -1.92 -0.83 116.42 122.32 3neg h ASP 164 Ca 0.17 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3neg h ASP 164 Cb 0.28 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 3neg h ASP 164 CO -0.00 -0.27 -0.27 0.74 -3.12 0.00 0.00 179.24 176.32 3neg h THR 165 N -0.84 0.42 -0.76 0.35 2.02 -1.46 -0.39 112.91 112.26 3neg h THR 165 Ca -0.07 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.25 3neg h THR 165 Cb 0.58 0.42 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 3neg h THR 165 CO 0.11 0.00 0.32 -0.09 0.37 0.00 0.00 175.52 176.23 3neg h ARG 166 N -0.51 0.47 -0.14 6.66 1.12 -1.30 -0.12 114.38 120.56 3neg h ARG 166 Ca 0.02 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.73 3neg h ARG 166 Cb 0.51 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 3neg h ARG 166 CO -0.12 0.31 -0.45 1.25 -3.11 0.00 0.00 179.97 177.85 3neg h LEU 167 N 0.48 0.37 0.48 3.80 5.85 -0.76 0.10 115.31 125.63 3neg h LEU 167 Ca 0.41 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3neg h LEU 167 Cb 0.59 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3neg h LEU 167 CO -0.38 0.77 -0.23 0.15 -0.34 0.00 0.00 178.44 178.41 3neg h PHE 168 N 0.28 -0.60 -0.27 1.25 3.57 0.16 -2.69 116.94 118.64 3neg h PHE 168 Ca 0.02 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3neg h PHE 168 Cb 0.91 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 3neg h PHE 168 CO 0.02 -0.30 -0.05 0.00 -2.23 0.00 0.00 178.31 175.75 3neg h ALA 169 N -0.92 0.19 -0.94 2.41 0.00 -1.04 -1.53 119.26 117.45 3neg h ALA 169 Ca -0.07 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.10 3neg h ALA 169 Cb 0.57 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3neg h ALA 169 CO 0.11 -0.46 0.60 -0.44 0.00 0.00 0.00 179.25 179.06 3neg h ASP 170 N 0.02 0.71 -0.07 0.00 5.19 -0.88 -0.35 116.42 121.03 3neg h ASP 170 Ca 0.13 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.52 3neg h ASP 170 Cb 0.19 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3neg h ASP 170 CO -0.27 0.34 -0.24 0.74 -3.12 0.00 0.00 179.24 176.69 3neg h THR 171 N 0.74 1.42 -0.31 0.35 2.02 -0.95 0.12 112.91 116.30 3neg h THR 171 Ca 0.48 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 3neg h THR 171 Cb 0.75 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3neg h THR 171 CO -0.25 0.46 0.18 0.58 0.37 0.00 0.00 175.52 176.87 3neg h VAL 172 N -0.20 1.11 -0.23 3.16 2.07 -0.85 -2.32 116.25 119.00 3neg h VAL 172 Ca -0.01 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3neg h VAL 172 Cb 0.87 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3neg h VAL 172 CO 0.05 0.11 -0.23 0.40 0.02 0.00 0.00 177.57 177.92 3neg h ILE 173 N 0.39 1.26 0.00 4.57 2.04 -1.06 -1.71 117.51 123.00 3neg h ILE 173 Ca 0.11 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 3neg h ILE 173 Cb 0.02 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3neg h ILE 173 CO -0.02 0.38 -0.32 -0.09 0.00 0.00 0.00 178.15 178.10 3neg h ARG 174 N 0.39 0.00 0.09 2.37 9.65 -0.72 -0.80 114.38 125.35 3neg h ARG 174 Ca 0.06 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.80 3neg h ARG 174 Cb 0.63 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.22 3neg h ARG 174 CO 0.04 0.32 -0.60 -0.07 2.80 0.00 0.00 179.97 182.46 3neg h LEU 175 N 0.00 0.38 -0.40 3.80 3.38 -0.98 -2.74 115.31 118.75 3neg h LEU 175 Ca -0.00 -0.92 0.07 0.00 0.09 0.00 0.00 57.88 57.12 3neg h LEU 175 Cb 0.63 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3neg h LEU 175 CO 0.04 1.27 0.00 0.78 0.09 0.00 0.00 178.44 180.62 3neg h ASN 176 N -0.46 -0.16 -0.38 -0.43 2.35 -1.14 0.65 115.58 116.01 3neg h ASN 176 Ca -0.10 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3neg h ASN 176 Cb 1.44 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.95 3neg h ASN 176 CO 0.11 -0.04 0.15 -0.07 -1.65 0.00 0.00 177.43 175.93 3neg h LEU 177 N 0.11 0.59 -0.37 1.61 3.38 -1.23 -0.34 115.31 119.06 3neg h LEU 177 Ca 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3neg h LEU 177 Cb 0.27 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3neg h LEU 177 CO -0.32 0.56 0.16 1.56 0.09 0.00 0.00 178.44 180.49 3neg h GLN 178 N 0.64 0.55 -0.72 1.13 4.20 -0.66 -1.25 115.11 118.99 3neg h GLN 178 Ca 0.15 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3neg h GLN 178 Cb 0.18 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3neg h GLN 178 CO -0.01 0.51 0.21 -0.22 -0.67 0.00 0.00 178.83 178.65 3neg h LYS 179 N 0.45 1.12 -0.40 1.46 3.64 -0.53 -0.56 116.57 121.75 3neg h LYS 179 Ca 0.12 -0.25 0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3neg h LYS 179 Cb 0.16 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3neg h LYS 179 CO -0.01 0.97 -0.12 1.25 -2.27 0.00 0.00 179.45 179.26 3neg h LEU 180 N 1.06 -0.43 -0.88 5.20 5.85 -0.76 -1.10 115.31 124.25 3neg h LEU 180 Ca 0.23 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 3neg h LEU 180 Cb 0.32 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3neg h LEU 180 CO -0.01 -0.15 0.47 0.00 -0.34 0.00 0.00 178.44 178.41 3neg h ALA 181 N 1.36 1.14 -0.64 1.25 0.00 -0.67 -1.78 119.26 119.91 3neg h ALA 181 Ca 0.20 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3neg h ALA 181 Cb 0.32 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3neg h ALA 181 CO -0.43 0.66 0.29 0.77 0.00 0.00 0.00 179.25 180.53 3neg h SER 182 N 1.24 0.34 0.16 0.00 0.02 0.02 -2.39 113.55 112.96 3neg h SER 182 Ca 0.31 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3neg h SER 182 Cb 0.05 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3neg h SER 182 CO -0.05 0.20 -0.97 2.30 -1.14 0.00 0.00 176.83 177.17 3neg n ILE 183 N -4.93 0.02 0.72 3.27 -5.35 -0.53 -2.76 119.36 109.82 3neg n ILE 183 Ca 0.09 -0.07 0.11 0.00 -0.27 0.00 0.00 62.75 62.61 3neg n ILE 183 Cb 0.26 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.77 3neg n ILE 183 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3neg n THR 184 N -1.62 0.04 0.04 7.28 -2.24 -0.69 -2.22 114.28 114.87 3neg n THR 184 Ca 0.03 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 3neg n THR 184 Cb 0.36 0.56 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 3neg n THR 184 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3neg h GLU 185 N 0.00 0.00 -0.23 -0.78 5.08 -1.51 -3.10 114.58 114.03 3neg h GLU 185 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3neg h GLU 185 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3neg h GLU 185 CO 0.00 0.78 0.01 0.00 -1.00 0.00 0.00 179.01 178.80 3neg h ALA 186 N 1.05 0.31 -0.74 3.43 0.00 -1.56 -2.83 119.26 118.92 3neg h ALA 186 Ca -0.10 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3neg h ALA 186 Cb 1.81 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 3neg h ALA 186 CO 0.11 0.03 0.49 0.52 0.00 0.00 0.00 179.25 180.39 3neg h MET 187 N 0.18 0.92 -0.11 0.00 2.86 -1.55 -2.58 114.93 114.65 3neg h MET 187 Ca 0.07 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3neg h MET 187 Cb 0.38 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3neg h MET 187 CO 0.01 0.61 -0.02 -0.97 1.06 0.00 0.00 176.91 177.60 3neg h ASN 188 N 0.95 0.14 -0.00 1.22 -1.24 -1.42 -2.69 115.58 112.54 3neg h ASN 188 Ca 0.28 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.28 3neg h ASN 188 Cb -0.03 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 38.99 3neg h ASN 188 CO -0.07 0.19 -0.01 0.03 -1.29 0.00 0.00 177.43 176.28 3neg h ARG 189 N 0.16 0.01 0.00 6.67 3.08 -1.36 -3.28 114.38 119.65 3neg h ARG 189 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3neg h ARG 189 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3neg h ARG 189 CO 0.00 0.77 0.00 0.09 -1.07 0.00 0.00 179.97 179.77 3neg n ASN 190 N -4.71 0.00 -0.73 7.04 4.13 -1.08 -5.15 115.26 114.76 3neg n ASN 190 Ca -0.09 -0.33 0.09 0.00 1.68 0.00 0.00 54.58 55.93 3neg n ASN 190 Cb 0.38 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.70 3neg n ASN 190 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13