#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otm s THR 4 N 0.00 4.37 0.33 3.41 -4.23 -1.26 -4.97 115.64 113.29 2otm s THR 4 Ca 0.00 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 2otm s THR 4 Cb 0.00 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.50 2otm s THR 4 CO 0.00 -0.48 1.94 -0.65 -0.54 0.00 0.00 174.62 174.89 2otm h PRO 5 N 0.41 0.85 -0.74 3.99 0.11 -1.89 -1.53 132.00 133.20 2otm h PRO 5 Ca -0.47 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.63 2otm h PRO 5 Cb 1.24 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 2otm h PRO 5 CO 0.59 0.56 0.45 0.93 -0.21 0.00 0.00 178.00 180.33 2otm h GLU 6 N 0.88 0.83 -0.23 1.05 3.07 -1.94 -0.65 114.58 117.58 2otm h GLU 6 Ca 0.35 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 2otm h GLU 6 Cb 0.24 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2otm h GLU 6 CO -0.12 0.55 -0.15 0.66 -1.40 0.00 0.00 179.01 178.55 2otm h SER 7 N 0.85 0.38 0.04 1.42 4.64 -1.67 -1.74 113.55 117.47 2otm h SER 7 Ca 0.31 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 2otm h SER 7 Cb 0.11 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2otm h SER 7 CO -0.15 0.56 -0.53 0.03 -0.87 0.00 0.00 176.83 175.87 2otm h ARG 8 N 0.37 0.53 -0.37 4.77 3.08 -0.91 0.18 114.38 122.03 2otm h ARG 8 Ca 0.07 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 2otm h ARG 8 Cb 0.48 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2otm h ARG 8 CO 0.03 0.93 0.22 -0.07 -1.07 0.00 0.00 179.97 180.00 2otm h LEU 9 N 0.41 0.46 -0.09 3.04 3.38 -0.82 -0.46 115.31 121.23 2otm h LEU 9 Ca 0.01 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2otm h LEU 9 Cb 1.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2otm h LEU 9 CO 0.10 0.39 0.04 0.58 0.09 0.00 0.00 178.44 179.63 2otm h VAL 10 N 0.49 0.99 -0.09 1.22 2.07 -0.99 -0.09 116.25 119.84 2otm h VAL 10 Ca 0.13 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2otm h VAL 10 Cb 0.02 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2otm h VAL 10 CO -0.02 0.02 0.07 0.00 0.02 0.00 0.00 177.57 177.65 2otm h ALA 11 N 1.05 2.06 -0.01 1.67 0.00 -0.45 0.24 119.26 123.82 2otm h ALA 11 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2otm h ALA 11 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2otm h ALA 11 CO -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.07 2otm n ALA 12 N -2.54 2.68 -2.10 0.00 0.00 -0.20 -4.92 120.51 113.43 2otm n ALA 12 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 2otm n ALA 12 Cb 0.18 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 2otm n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otm n GLY 13 N 1.16 0.07 3.54 0.00 0.00 0.07 -5.01 105.19 105.02 2otm n GLY 13 Ca 0.19 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2otm n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otm s LEU 14 N -3.15 3.47 -0.13 0.99 1.43 -0.11 -5.02 118.68 116.15 2otm s LEU 14 Ca 0.00 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2otm s LEU 14 Cb 0.00 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2otm s LEU 14 CO 0.00 0.14 0.06 -0.70 0.23 0.00 0.00 176.35 176.08 2otm s GLU 15 N 0.53 3.45 0.09 1.70 2.56 -1.26 -4.21 118.70 121.55 2otm s GLU 15 Ca -0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 54.97 54.35 2otm s GLU 15 Cb -0.14 -3.04 -0.06 0.00 2.00 0.00 0.00 34.13 32.89 2otm s GLU 15 CO 0.02 0.58 1.23 -0.51 -0.56 0.00 0.00 175.26 176.02 2otm s LEU 16 N -0.50 4.38 0.89 2.70 1.43 -1.26 -5.01 118.68 121.31 2otm s LEU 16 Ca 0.10 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 2otm s LEU 16 Cb -0.12 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.64 2otm s LEU 16 CO 0.02 -0.48 1.11 -2.16 0.23 0.00 0.00 176.35 175.07 2otm s PRO 17 N 0.84 1.29 0.37 1.29 0.04 -1.26 -5.00 135.00 132.57 2otm s PRO 17 Ca 0.59 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 2otm s PRO 17 Cb -0.31 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2otm s PRO 17 CO 0.31 -2.14 1.29 -1.21 0.04 0.00 0.00 177.00 175.29 2otm s GLU 18 N -5.13 4.14 0.01 4.56 8.01 -1.26 -4.85 118.70 124.18 2otm s GLU 18 Ca 0.63 2.15 -0.30 0.00 0.01 0.00 0.00 54.97 57.46 2otm s GLU 18 Cb -0.16 -2.88 -0.05 0.00 -4.31 0.00 0.00 34.13 26.73 2otm s GLU 18 CO 0.55 -0.35 1.26 0.08 0.01 0.00 0.00 175.26 176.81 2otm s VAL 19 N -1.22 3.98 0.64 2.63 1.01 -1.26 -4.98 120.40 121.19 2otm s VAL 19 Ca 0.53 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 2otm s VAL 19 Cb -0.38 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2otm s VAL 19 CO 0.50 0.05 1.09 0.00 0.00 0.00 0.00 175.10 176.73 2otm s ALA 20 N 1.75 2.58 0.50 5.51 0.00 -1.26 -5.03 121.76 125.81 2otm s ALA 20 Ca 0.59 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 2otm s ALA 20 Cb -0.29 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2otm s ALA 20 CO 0.26 -1.10 1.03 0.00 0.00 0.00 0.00 175.76 175.96 2otm s ALA 21 N -2.43 2.87 0.58 0.00 0.00 -1.26 -5.03 121.76 116.49 2otm s ALA 21 Ca 0.65 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.95 2otm s ALA 21 Cb -0.18 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2otm s ALA 21 CO 0.41 -0.36 1.06 0.00 0.00 0.00 0.00 175.76 176.87 2otm n ALA 22 N -1.15 0.50 1.75 0.00 0.00 -1.26 -4.94 120.51 115.40 2otm n ALA 22 Ca 0.09 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.71 2otm n ALA 22 Cb 0.53 -2.17 0.66 0.00 0.00 0.00 0.00 19.45 18.47 2otm n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2otm n LEU 23 N -0.76 0.66 0.00 0.00 4.77 -1.26 -4.96 117.00 115.45 2otm n LEU 23 Ca 0.13 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2otm n LEU 23 Cb 0.46 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2otm n LEU 23 CO 0.51 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2otm n GLY 24 N 1.02 2.16 2.51 -0.72 0.00 -1.26 -5.06 105.19 103.83 2otm n GLY 24 Ca 0.19 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 2otm n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2otm n ASN 25 N -0.19 7.86 -4.16 1.61 3.02 -1.26 -4.87 115.26 117.26 2otm n ASN 25 Ca 0.00 -3.23 -0.10 0.00 -0.03 0.00 0.00 54.58 51.22 2otm n ASN 25 Cb 0.00 -1.32 -0.10 0.00 -0.61 0.00 0.00 39.78 37.75 2otm n ASN 25 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2otm s TYR 26 N -1.69 0.87 0.11 3.10 -0.85 -1.26 -5.15 117.35 112.48 2otm s TYR 26 Ca 0.52 -1.09 -0.22 0.00 -0.52 0.00 0.00 57.07 55.77 2otm s TYR 26 Cb 0.20 -0.52 -0.07 0.00 0.38 0.00 0.00 41.96 41.95 2otm s TYR 26 CO -0.11 -0.35 0.65 -1.21 -1.52 0.00 0.00 175.55 173.01 2otm s GLU 27 N -3.95 4.34 0.60 -3.49 0.41 -1.26 -4.80 118.70 110.55 2otm s GLU 27 Ca 0.18 0.90 0.32 0.00 -0.41 0.00 0.00 54.97 55.96 2otm s GLU 27 Cb 0.07 -3.23 1.89 0.00 -1.78 0.00 0.00 34.13 31.08 2otm s GLU 27 CO -0.02 0.60 2.25 -1.00 -0.49 0.00 0.00 175.26 176.61 2otm h PRO 28 N 4.40 0.00 -3.44 0.39 0.13 -1.98 -3.40 132.00 128.11 2otm h PRO 28 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2otm h PRO 28 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2otm h PRO 28 CO 0.64 0.00 -0.10 1.52 -0.23 0.00 0.00 178.00 179.83 2otm s TYR 29 N -4.56 -0.16 0.15 1.56 -0.85 -1.26 -0.92 117.35 111.30 2otm s TYR 29 Ca -0.05 -0.17 0.02 0.00 -0.52 0.00 0.00 57.07 56.35 2otm s TYR 29 Cb 0.15 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 2otm s TYR 29 CO 0.53 -0.69 -0.02 -1.54 -1.52 0.00 0.00 175.55 172.31 2otm s SER 30 N -2.81 1.20 -0.04 -0.18 1.04 -1.26 -4.96 113.70 106.68 2otm s SER 30 Ca 0.03 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.35 2otm s SER 30 Cb 0.02 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2otm s SER 30 CO -0.12 -0.53 -0.06 -0.63 0.98 0.00 0.00 173.24 172.88 2otm s ILE 31 N -3.64 0.63 -0.14 -1.02 1.01 -1.26 -4.29 121.20 112.49 2otm s ILE 31 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 2otm s ILE 31 Cb 0.06 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.93 2otm s ILE 31 CO 0.01 0.24 -0.06 0.54 0.00 0.00 0.00 174.94 175.67 2otm s VAL 32 N 0.78 1.05 0.00 2.92 0.11 -0.17 -4.99 120.40 120.11 2otm s VAL 32 Ca -0.11 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2otm s VAL 32 Cb -0.14 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2otm s VAL 32 CO 0.01 0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 2otm n GLY 33 N 4.92 4.00 1.29 6.54 0.00 -1.26 -0.65 105.19 120.03 2otm n GLY 33 Ca -0.12 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2otm n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otm n SER 34 N 9.26 3.82 -4.43 1.61 3.41 -1.26 -4.93 113.62 121.09 2otm n SER 34 Ca 0.00 -2.00 -0.37 0.00 -0.26 0.00 0.00 58.87 56.25 2otm n SER 34 Cb 0.00 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.40 2otm n SER 34 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2otm s GLN 35 N -1.12 3.55 0.42 4.33 -0.21 0.17 -0.64 119.66 126.16 2otm s GLN 35 Ca 0.46 -0.55 0.08 0.00 0.02 0.00 0.00 55.36 55.37 2otm s GLN 35 Cb 0.25 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 2otm s GLN 35 CO 0.33 -0.25 0.37 -1.17 -2.12 0.00 0.00 175.29 172.44 2otm s LEU 36 N 1.60 3.35 0.13 2.90 2.96 0.29 -1.00 118.68 128.90 2otm s LEU 36 Ca 0.06 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 2otm s LEU 36 Cb -0.16 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2otm s LEU 36 CO 0.04 -0.66 -0.06 0.42 -1.32 0.00 0.00 176.35 174.77 2otm s THR 38 N -2.49 0.79 0.33 3.68 -4.23 -0.60 -0.35 115.64 112.77 2otm s THR 38 Ca 0.47 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 2otm s THR 38 Cb -0.03 -1.82 0.07 0.00 1.34 0.00 0.00 72.50 72.07 2otm s THR 38 CO 0.27 -0.75 0.45 -1.20 -0.54 0.00 0.00 174.62 172.86 2otm n SER 39 N -0.12 0.16 -4.75 3.99 7.64 -0.10 -4.66 113.62 115.78 2otm n SER 39 Ca -0.10 -1.24 -0.41 0.00 1.01 0.00 0.00 58.87 58.13 2otm n SER 39 Cb 0.61 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 2otm n SER 39 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2otm s GLY 40 N -3.88 2.71 -0.08 0.23 0.00 -1.26 -4.66 107.32 100.37 2otm s GLY 40 Ca 0.27 1.06 0.04 0.00 0.00 0.00 0.00 44.72 46.09 2otm s GLY 40 CO 0.18 1.90 -0.21 1.20 0.00 0.00 0.00 173.10 176.17 2otm s GLN 41 N -0.65 2.78 0.28 2.90 -1.52 0.38 -4.91 119.66 118.91 2otm s GLN 41 Ca 0.52 -0.84 0.08 0.00 -1.95 0.00 0.00 55.36 53.18 2otm s GLN 41 Cb -0.35 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.10 2otm s GLN 41 CO 0.41 0.35 0.14 -0.06 -0.25 0.00 0.00 175.29 175.87 2otm s PHE 42 N -0.05 2.90 -1.34 0.91 0.40 -1.26 -1.22 117.98 118.31 2otm s PHE 42 Ca -0.06 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 55.92 2otm s PHE 42 Cb -0.14 -1.41 0.08 0.00 0.51 0.00 0.00 43.02 42.06 2otm s PHE 42 CO 0.05 0.49 1.88 -0.35 0.70 0.00 0.00 175.22 177.99 2otm n PRO 43 N -1.11 3.15 -3.57 0.24 -0.04 -1.26 -4.19 135.00 128.22 2otm n PRO 43 Ca -0.06 -3.15 -0.38 0.00 -0.04 0.00 0.00 63.50 59.87 2otm n PRO 43 Cb 0.59 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 2otm n PRO 43 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2otm s TYR 44 N 3.11 3.70 -0.04 0.54 2.02 -1.26 -1.27 117.35 124.15 2otm s TYR 44 Ca 0.49 0.90 -0.01 0.00 -0.37 0.00 0.00 57.07 58.08 2otm s TYR 44 Cb 0.07 -2.22 0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2otm s TYR 44 CO 0.00 0.66 0.03 -1.17 -1.57 0.00 0.00 175.55 173.49 2otm s LEU 45 N -1.12 0.61 -1.50 -1.29 2.96 -0.29 -4.83 118.68 113.23 2otm s LEU 45 Ca 0.23 0.00 -0.10 0.00 -0.22 0.00 0.00 54.13 54.04 2otm s LEU 45 Cb -0.16 -0.24 0.07 0.00 0.50 0.00 0.00 46.19 46.36 2otm s LEU 45 CO 0.12 -0.18 0.82 0.00 -1.32 0.00 0.00 176.35 175.79 2otm n GLN 46 N 4.86 -4.73 -0.88 1.98 1.13 -1.26 -1.17 117.38 117.30 2otm n GLN 46 Ca -0.12 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 2otm n GLN 46 Cb 0.50 -5.24 0.00 0.00 0.11 0.00 0.00 30.24 25.61 2otm n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2otm n GLY 47 N -1.66 0.57 3.59 1.08 0.00 -1.26 -5.00 105.19 102.52 2otm n GLY 47 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2otm n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otm s LYS 48 N -0.43 3.58 -0.46 1.61 3.01 -0.32 -5.06 119.74 121.68 2otm s LYS 48 Ca 0.00 -0.43 -0.29 0.00 -1.01 0.00 0.00 55.97 54.24 2otm s LYS 48 Cb 0.00 -2.98 0.01 0.00 -1.01 0.00 0.00 37.83 33.86 2otm s LYS 48 CO 0.00 0.38 1.36 -1.17 0.51 0.00 0.00 175.35 176.43 2otm s LEU 49 N 0.01 3.55 0.27 3.17 2.96 -1.26 -1.14 118.68 126.25 2otm s LEU 49 Ca 0.03 0.64 0.16 0.00 -0.22 0.00 0.00 54.13 54.73 2otm s LEU 49 Cb -0.13 -3.44 0.07 0.00 0.50 0.00 0.00 46.19 43.19 2otm s LEU 49 CO 0.02 -1.47 1.39 0.25 -1.32 0.00 0.00 176.35 175.23 2otm h LEU 50 N 12.23 0.00 -7.60 -0.68 5.85 -1.54 -3.43 115.31 120.15 2otm h LEU 50 Ca -0.27 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.87 2otm h LEU 50 Cb 1.09 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.74 2otm h LEU 50 CO 1.11 0.46 -0.79 -0.31 -0.34 0.00 0.00 178.44 178.58 2otm s TYR 51 N -2.99 2.07 -0.23 1.25 2.02 -1.26 -5.08 117.35 113.13 2otm s TYR 51 Ca 0.04 -1.48 -0.01 0.00 -0.37 0.00 0.00 57.07 55.24 2otm s TYR 51 Cb 0.07 -1.46 0.07 0.00 -0.40 0.00 0.00 41.96 40.25 2otm s TYR 51 CO 0.75 -0.72 0.02 -0.65 -1.57 0.00 0.00 175.55 173.38 2otm s GLN 52 N 1.51 0.95 0.00 -0.62 -0.21 -1.26 -1.38 119.66 118.65 2otm s GLN 52 Ca -0.03 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.61 2otm s GLN 52 Cb -0.18 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.59 2otm s GLN 52 CO -0.07 -0.71 0.00 0.41 -2.12 0.00 0.00 175.29 172.81 2otm n GLY 53 N 4.89 0.00 3.07 3.09 0.00 -0.42 -4.88 105.19 110.93 2otm n GLY 53 Ca -0.08 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 2otm n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2otm s GLN 54 N -2.00 1.26 0.17 1.61 0.74 -1.26 -3.86 119.66 116.33 2otm s GLN 54 Ca 0.00 -0.44 -0.31 0.00 0.05 0.00 0.00 55.36 54.65 2otm s GLN 54 Cb 0.00 -1.15 -0.10 0.00 1.10 0.00 0.00 33.01 32.86 2otm s GLN 54 CO 0.00 0.20 1.54 -1.17 -0.55 0.00 0.00 175.29 175.31 2otm s LEU 55 N 0.03 4.37 0.00 3.68 2.96 0.98 -0.76 118.68 129.94 2otm s LEU 55 Ca -0.01 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 2otm s LEU 55 Cb -0.09 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2otm s LEU 55 CO 0.01 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.84 2otm n GLY 56 N 3.55 2.91 0.57 7.98 0.00 0.13 -0.44 105.19 119.89 2otm n GLY 56 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2otm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otm n ALA 57 N -1.05 2.02 -0.06 4.61 0.00 -0.94 -4.85 120.51 120.25 2otm n ALA 57 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 2otm n ALA 57 Cb 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 19.45 19.55 2otm n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2otm n ASP 58 N -3.78 0.71 -4.01 0.00 8.00 0.06 -5.00 116.55 112.54 2otm n ASP 58 Ca -0.19 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.13 2otm n ASP 58 Cb 0.52 1.28 -0.15 0.00 -0.02 0.00 0.00 41.12 42.75 2otm n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2otm s TYR 59 N -2.75 0.71 0.81 1.24 2.02 -1.04 -4.94 117.35 113.40 2otm s TYR 59 Ca -0.08 -0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 2otm s TYR 59 Cb 0.08 -0.46 0.08 0.00 -0.40 0.00 0.00 41.96 41.26 2otm s TYR 59 CO 0.74 -0.01 1.17 0.95 -1.57 0.00 0.00 175.55 176.82 2otm s THR 60 N -0.21 2.14 0.21 -0.71 -4.23 -1.26 0.20 115.64 111.78 2otm s THR 60 Ca 0.03 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 2otm s THR 60 Cb -0.03 -3.03 0.17 0.00 1.34 0.00 0.00 72.50 70.94 2otm s THR 60 CO -0.00 -0.06 1.88 0.58 -0.54 0.00 0.00 174.62 176.48 2otm h VAL 61 N -1.05 1.21 -0.23 2.29 2.07 -1.98 0.22 116.25 118.78 2otm h VAL 61 Ca -0.46 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 2otm h VAL 61 Cb 1.32 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2otm h VAL 61 CO 0.66 0.20 -0.19 0.77 0.02 0.00 0.00 177.57 179.03 2otm h SER 62 N 1.06 0.39 -0.52 0.57 4.64 -1.96 0.22 113.55 117.94 2otm h SER 62 Ca 0.29 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 2otm h SER 62 Cb -0.11 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 2otm h SER 62 CO -0.06 0.59 0.02 -0.33 -0.87 0.00 0.00 176.83 176.18 2otm h GLU 63 N 0.36 0.91 -0.82 4.77 5.08 -1.75 -1.80 114.58 121.33 2otm h GLU 63 Ca 0.06 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2otm h GLU 63 Cb 0.54 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2otm h GLU 63 CO 0.04 0.92 0.53 0.78 -1.00 0.00 0.00 179.01 180.28 2otm h GLY 64 N 0.78 1.16 0.68 -3.84 0.00 -0.35 0.76 103.07 102.27 2otm h GLY 64 Ca 0.15 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.07 2otm h GLY 64 CO 0.02 0.44 0.04 -1.82 0.00 0.00 0.00 176.54 175.22 2otm h TYR 65 N 1.11 0.06 -0.79 5.60 5.03 -0.81 0.17 116.97 127.33 2otm h TYR 65 Ca 0.30 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 2otm h TYR 65 Cb -0.11 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.14 2otm h TYR 65 CO -0.01 0.01 0.46 0.00 -1.32 0.00 0.00 178.16 177.29 2otm h ALA 66 N 1.20 1.32 -0.38 1.82 0.00 -0.85 -0.94 119.26 121.43 2otm h ALA 66 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2otm h ALA 66 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2otm h ALA 66 CO -0.17 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.67 2otm h ALA 67 N 1.41 0.50 -0.10 0.00 0.00 -0.16 -0.63 119.26 120.29 2otm h ALA 67 Ca 0.28 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2otm h ALA 67 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2otm h ALA 67 CO -0.05 0.25 -0.40 0.00 0.00 0.00 0.00 179.25 179.05 2otm h ARG 69 N 0.19 0.40 -0.41 0.00 2.43 -0.97 -1.50 114.38 114.52 2otm h ARG 69 Ca 0.02 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2otm h ARG 69 Cb 0.79 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2otm h ARG 69 CO 0.06 0.41 -0.07 1.25 -1.51 0.00 0.00 179.97 180.11 2otm h LEU 70 N 0.31 0.77 -1.27 3.80 5.85 -0.70 -0.01 115.31 124.06 2otm h LEU 70 Ca 0.09 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2otm h LEU 70 Cb 0.14 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2otm h LEU 70 CO -0.01 0.94 0.52 0.00 -0.34 0.00 0.00 178.44 179.55 2otm h ALA 71 N 0.86 1.55 -0.15 1.25 0.00 -1.11 -1.27 119.26 120.40 2otm h ALA 71 Ca 0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2otm h ALA 71 Cb 0.59 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2otm h ALA 71 CO 0.04 0.36 -0.64 1.15 0.00 0.00 0.00 179.25 180.15 2otm h THR 72 N 0.94 1.33 -0.83 0.00 2.02 -0.89 0.38 112.91 115.86 2otm h THR 72 Ca 0.32 -1.94 0.01 0.00 0.77 0.00 0.00 66.41 65.57 2otm h THR 72 Cb 0.09 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 2otm h THR 72 CO -0.10 0.60 0.55 0.25 0.37 0.00 0.00 175.52 177.19 2otm h LEU 73 N 0.39 0.96 -0.45 2.58 5.85 -0.53 0.12 115.31 124.23 2otm h LEU 73 Ca -0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2otm h LEU 73 Cb 1.21 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 2otm h LEU 73 CO 0.12 0.70 0.29 0.78 -0.34 0.00 0.00 178.44 179.99 2otm h ASN 74 N 1.13 0.50 -0.95 1.25 2.35 -0.91 -1.54 115.58 117.41 2otm h ASN 74 Ca 0.30 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.08 2otm h ASN 74 Cb -0.13 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 2otm h ASN 74 CO -0.07 0.36 0.62 0.00 -1.65 0.00 0.00 177.43 176.70 2otm h ALA 75 N 1.17 1.38 -0.50 -0.83 0.00 -0.24 -1.46 119.26 118.77 2otm h ALA 75 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2otm h ALA 75 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2otm h ALA 75 CO -0.04 0.53 -0.07 0.82 0.00 0.00 0.00 179.25 180.49 2otm h ILE 76 N 1.21 1.26 -0.99 0.00 2.04 -0.54 -1.46 117.51 119.03 2otm h ILE 76 Ca 0.37 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2otm h ILE 76 Cb -0.01 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 2otm h ILE 76 CO -0.11 0.41 0.65 0.00 0.00 0.00 0.00 178.15 179.10 2otm h ALA 77 N 1.10 1.36 -0.55 1.87 0.00 -0.59 0.37 119.26 122.83 2otm h ALA 77 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2otm h ALA 77 Cb 0.58 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2otm h ALA 77 CO 0.04 0.54 0.09 0.37 0.00 0.00 0.00 179.25 180.28 2otm h GLN 78 N 1.24 0.91 -0.62 0.00 5.75 -0.71 -1.55 115.11 120.14 2otm h GLN 78 Ca 0.39 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 2otm h GLN 78 Cb 0.01 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 2otm h GLN 78 CO -0.12 0.88 0.06 -0.07 -2.65 0.00 0.00 178.83 176.93 2otm h LEU 79 N 0.80 1.01 -1.00 -2.39 3.38 -0.66 -2.01 115.31 114.45 2otm h LEU 79 Ca 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2otm h LEU 79 Cb 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2otm h LEU 79 CO 0.01 1.04 0.13 0.50 0.09 0.00 0.00 178.44 180.21 2otm h LYS 80 N 0.95 0.85 -0.71 1.13 3.64 -0.65 -0.02 116.57 121.77 2otm h LYS 80 Ca 0.18 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2otm h LYS 80 Cb 0.48 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2otm h LYS 80 CO 0.02 0.77 0.24 0.37 -2.27 0.00 0.00 179.45 178.58 2otm h GLN 81 N 0.82 1.09 -0.41 1.90 4.15 -0.99 0.19 115.11 121.87 2otm h GLN 81 Ca 0.18 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 2otm h GLN 81 Cb 0.31 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2otm h GLN 81 CO -0.00 0.92 -0.23 0.00 -1.93 0.00 0.00 178.83 177.59 2otm h ALA 82 N 1.11 0.58 0.00 3.38 0.00 -0.79 -3.37 119.26 120.17 2otm h ALA 82 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2otm h ALA 82 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2otm h ALA 82 CO -0.01 0.56 -1.88 0.00 0.00 0.00 0.00 179.25 177.92 2otm n GLY 84 N 1.50 1.82 3.08 0.00 0.00 0.67 -4.79 105.19 107.48 2otm n GLY 84 Ca -0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2otm n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otm s GLU 85 N 0.00 2.65 0.53 1.61 0.41 -1.26 -4.91 118.70 117.73 2otm s GLU 85 Ca 0.00 -0.70 0.35 0.00 -0.41 0.00 0.00 54.97 54.21 2otm s GLU 85 Cb 0.00 -2.29 1.66 0.00 -1.78 0.00 0.00 34.13 31.73 2otm s GLU 85 CO 0.00 -0.16 2.05 -0.07 -0.49 0.00 0.00 175.26 176.59 2otm h LEU 86 N 7.80 0.00 -2.77 1.80 3.38 -1.90 -1.21 115.31 122.40 2otm h LEU 86 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2otm h LEU 86 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2otm h LEU 86 CO 0.57 0.00 0.05 0.28 0.09 0.00 0.00 178.44 179.43 2otm h SER 87 N 0.00 0.00 0.89 -0.43 0.02 -1.96 -2.31 113.55 109.76 2otm h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2otm h SER 87 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2otm h SER 87 CO 0.00 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 175.72 2otm h ARG 88 N 0.00 0.00 -6.23 3.45 3.08 -1.57 -3.43 114.38 109.68 2otm h ARG 88 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2otm h ARG 88 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 2otm h ARG 88 CO -0.00 0.00 0.89 0.42 -1.07 0.00 0.00 179.97 180.21 2otm s ILE 89 N -3.37 4.37 0.12 2.04 1.01 -0.87 -4.65 121.20 119.85 2otm s ILE 89 Ca 0.04 1.61 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 2otm s ILE 89 Cb 0.09 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 2otm s ILE 89 CO 0.45 -0.32 1.46 0.11 0.00 0.00 0.00 174.94 176.64 2otm h LYS 90 N 8.34 0.83 -1.86 2.79 1.57 -0.81 -3.47 116.57 123.96 2otm h LYS 90 Ca -0.24 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.12 2otm h LYS 90 Cb 1.08 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.19 2otm h LYS 90 CO 1.00 1.06 0.28 1.14 -0.57 0.00 0.00 179.45 182.36 2otm s GLN 91 N -4.44 0.84 -0.76 3.15 -2.07 -1.18 -4.71 119.66 110.49 2otm s GLN 91 Ca -0.12 0.47 -0.19 0.00 -1.82 0.00 0.00 55.36 53.70 2otm s GLN 91 Cb 0.10 0.40 0.12 0.00 -1.09 0.00 0.00 33.01 32.54 2otm s GLN 91 CO 0.85 -0.21 0.92 0.42 -1.32 0.00 0.00 175.29 175.95 2otm s ILE 92 N -0.59 4.79 -0.63 3.63 -1.09 0.25 -0.47 121.20 127.09 2otm s ILE 92 Ca -0.04 -1.27 0.25 0.00 -2.23 0.00 0.00 60.65 57.36 2otm s ILE 92 Cb -0.02 -4.63 0.13 0.00 -1.58 0.00 0.00 42.46 36.36 2otm s ILE 92 CO 0.04 -1.32 1.45 0.10 -1.23 0.00 0.00 174.94 173.98 2otm h TYR 93 N 8.96 0.00 -2.77 3.97 -0.00 -1.55 -3.35 116.97 122.23 2otm h TYR 93 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.52 2otm h TYR 93 Cb 1.06 0.00 -0.26 0.00 0.00 0.00 0.00 36.73 37.53 2otm h TYR 93 CO 1.01 0.00 -0.30 0.50 -0.00 0.00 0.00 178.16 179.37 2otm s ARG 94 N -3.16 0.40 -0.10 0.10 6.06 -1.18 -1.92 118.95 119.16 2otm s ARG 94 Ca 0.07 0.63 0.03 0.00 -2.50 0.00 0.00 55.73 53.97 2otm s ARG 94 Cb 0.12 0.09 -0.01 0.00 0.06 0.00 0.00 34.95 35.22 2otm s ARG 94 CO 0.69 -0.10 -0.21 -1.17 -2.50 0.00 0.00 175.30 172.00 2otm s LEU 95 N 0.77 2.28 -0.11 -0.88 2.96 -0.77 -1.68 118.68 121.25 2otm s LEU 95 Ca -0.05 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2otm s LEU 95 Cb -0.06 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.19 2otm s LEU 95 CO -0.06 0.19 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.45 2otm s GLU 96 N 0.17 1.79 0.02 1.98 2.02 -0.21 -4.17 118.70 120.31 2otm s GLU 96 Ca -0.12 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.55 2otm s GLU 96 Cb -0.16 -1.69 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 2otm s GLU 96 CO 0.07 -0.18 -0.19 0.20 0.02 0.00 0.00 175.26 175.18 2otm s GLY 97 N 1.39 0.98 -0.05 -1.39 0.00 -1.26 -0.69 107.32 106.31 2otm s GLY 97 Ca 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.85 2otm s GLY 97 CO -0.06 -0.84 -0.22 0.14 0.00 0.00 0.00 173.10 172.13 2otm s VAL 98 N -0.68 1.77 0.08 1.40 1.01 -0.08 -1.25 120.40 122.65 2otm s VAL 98 Ca 0.06 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2otm s VAL 98 Cb -0.08 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2otm s VAL 98 CO 0.01 0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 174.69 2otm s LEU 99 N -0.14 2.28 -0.28 3.92 1.02 -0.59 -0.61 118.68 124.29 2otm s LEU 99 Ca -0.02 -0.63 -0.17 0.00 0.02 0.00 0.00 54.13 53.33 2otm s LEU 99 Cb -0.12 -0.58 -0.03 0.00 0.02 0.00 0.00 46.19 45.48 2otm s LEU 99 CO 0.02 -0.05 0.46 0.21 0.02 0.00 0.00 176.35 177.01 2otm s ASN 100 N -1.79 6.35 -0.05 2.29 3.84 -0.57 -1.66 114.94 123.36 2otm s ASN 100 Ca -0.00 0.35 0.02 0.00 0.21 0.00 0.00 52.86 53.44 2otm s ASN 100 Cb -0.10 -2.25 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 2otm s ASN 100 CO 0.03 -0.28 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.27 2otm s VAL 101 N 2.24 0.87 0.48 -5.21 1.01 -1.26 -0.01 120.40 118.51 2otm s VAL 101 Ca 0.19 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 2otm s VAL 101 Cb -0.16 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 2otm s VAL 101 CO 0.10 0.29 1.07 -2.28 0.00 0.00 0.00 175.10 174.28 2otm s HIS 102 N 0.55 2.96 0.50 5.22 2.46 0.42 -4.88 115.29 122.53 2otm s HIS 102 Ca -0.10 1.58 0.23 0.00 0.47 0.00 0.00 55.06 57.23 2otm s HIS 102 Cb -0.13 -3.16 1.31 0.00 -0.13 0.00 0.00 32.58 30.47 2otm s HIS 102 CO 0.02 -1.02 1.98 1.96 -2.47 0.00 0.00 174.74 175.21 2otm h GLN 103 N 1.71 0.10 0.00 2.88 7.50 -1.98 -1.50 115.11 123.82 2otm h GLN 103 Ca -0.49 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2otm h GLN 103 Cb 1.23 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.74 2otm h GLN 103 CO 0.59 0.07 0.00 -1.13 -1.50 0.00 0.00 178.83 176.86 2otm n SER 104 N -4.41 0.00 -3.96 1.46 3.41 -1.26 -4.69 113.62 104.17 2otm n SER 104 Ca 0.10 -0.41 -0.28 0.00 -0.26 0.00 0.00 58.87 58.02 2otm n SER 104 Cb 0.56 -0.09 -0.17 0.00 -0.26 0.00 0.00 64.21 64.26 2otm n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otm n ILE 106 N 4.80 2.03 -0.37 0.00 -5.35 -1.26 -4.70 119.36 114.50 2otm n ILE 106 Ca -0.15 -2.26 0.01 0.00 -0.27 0.00 0.00 62.75 60.08 2otm n ILE 106 Cb 0.50 -0.25 0.26 0.00 -1.74 0.00 0.00 39.64 38.41 2otm n ILE 106 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2otm n GLU 107 N -1.19 3.43 0.21 6.28 -0.58 -1.26 -4.37 120.64 123.15 2otm n GLU 107 Ca 0.18 -2.20 0.05 0.00 -0.42 0.00 0.00 57.16 54.77 2otm n GLU 107 Cb 0.72 -2.01 0.50 0.00 -0.57 0.00 0.00 31.44 30.08 2otm n GLU 107 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2otm h HIS 108 N 2.44 0.03 -0.39 -0.32 2.07 -2.00 -0.95 115.15 116.02 2otm h HIS 108 Ca 0.08 -0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.67 2otm h HIS 108 Cb 1.68 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 31.63 2otm h HIS 108 CO 0.83 0.19 0.27 -1.35 -3.07 0.00 0.00 177.93 174.80 2otm h PRO 109 N 0.02 0.20 -0.27 5.12 0.11 -2.00 -0.69 132.00 134.50 2otm h PRO 109 Ca 0.00 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 2otm h PRO 109 Cb 0.30 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2otm h PRO 109 CO 0.02 0.13 -0.33 0.87 -0.21 0.00 0.00 178.00 178.48 2otm h LYS 110 N 0.21 0.58 -0.30 1.05 6.56 -1.52 -2.18 116.57 120.97 2otm h LYS 110 Ca 0.18 -0.26 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 2otm h LYS 110 Cb 0.44 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2otm h LYS 110 CO -0.03 0.84 0.13 0.00 -2.06 0.00 0.00 179.45 178.32 2otm h ALA 111 N 1.14 0.39 0.00 3.86 0.00 -1.19 -2.80 119.26 120.67 2otm h ALA 111 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2otm h ALA 111 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2otm h ALA 111 CO 0.07 -0.03 -0.04 1.25 0.00 0.00 0.00 179.25 180.50 2otm h LEU 112 N 0.34 0.00 -2.76 0.00 5.85 -1.00 -0.21 115.31 117.53 2otm h LEU 112 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2otm h LEU 112 Cb 0.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2otm h LEU 112 CO -0.01 0.04 0.06 0.44 -0.34 0.00 0.00 178.44 178.63 2otm h ASP 113 N 0.00 0.00 -0.95 1.25 3.32 -1.11 -0.29 116.42 118.64 2otm h ASP 113 Ca -0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 2otm h ASP 113 Cb 0.30 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2otm h ASP 113 CO 0.01 0.00 0.62 1.23 -1.72 0.00 0.00 179.24 179.38 2otm h GLY 114 N 0.00 1.37 0.45 2.75 0.00 -1.13 0.16 103.07 106.68 2otm h GLY 114 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2otm h GLY 114 CO -0.00 0.40 -0.10 0.00 0.00 0.00 0.00 176.54 176.84 2otm h ALA 115 N 1.45 -0.29 -0.72 3.60 0.00 -1.18 -3.13 119.26 118.99 2otm h ALA 115 Ca 0.38 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2otm h ALA 115 Cb 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2otm h ALA 115 CO -0.12 -0.39 0.43 0.77 0.00 0.00 0.00 179.25 179.95 2otm h SER 116 N -0.84 0.68 -0.41 0.00 0.02 -1.24 -2.06 113.55 109.70 2otm h SER 116 Ca -0.03 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2otm h SER 116 Cb 0.51 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2otm h SER 116 CO 0.05 0.45 -0.06 0.44 -1.14 0.00 0.00 176.83 176.57 2otm h ASP 117 N 0.82 0.82 -0.31 3.07 3.32 -0.82 -2.45 116.42 120.86 2otm h ASP 117 Ca 0.31 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2otm h ASP 117 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2otm h ASP 117 CO -0.15 0.91 -0.23 0.25 -1.72 0.00 0.00 179.24 178.31 2otm h LEU 118 N 0.76 0.81 -0.68 1.55 5.85 -1.38 -0.77 115.31 121.45 2otm h LEU 118 Ca 0.14 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2otm h LEU 118 Cb 0.54 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2otm h LEU 118 CO 0.03 1.01 0.45 -0.07 -0.34 0.00 0.00 178.44 179.52 2otm h LEU 119 N 0.69 0.77 -0.42 2.25 3.38 -1.06 0.10 115.31 121.02 2otm h LEU 119 Ca 0.09 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2otm h LEU 119 Cb 0.75 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2otm h LEU 119 CO 0.06 0.55 -0.22 -0.07 0.09 0.00 0.00 178.44 178.85 2otm h LEU 120 N 0.91 0.92 -0.60 1.67 3.38 -1.29 0.24 115.31 120.54 2otm h LEU 120 Ca 0.26 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2otm h LEU 120 Cb -0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2otm h LEU 120 CO -0.07 1.13 0.32 -0.08 0.09 0.00 0.00 178.44 179.83 2otm h GLU 121 N 0.72 0.85 0.12 1.13 4.81 -0.70 -0.27 114.58 121.24 2otm h GLU 121 Ca 0.09 -0.11 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 2otm h GLU 121 Cb 0.79 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2otm h GLU 121 CO 0.07 0.66 -1.87 0.82 -0.73 0.00 0.00 179.01 177.96 2otm h ILE 122 N 0.82 0.77 -0.01 2.32 1.08 -0.95 -3.38 117.51 118.15 2otm h ILE 122 Ca 0.21 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.21 2otm h ILE 122 Cb 0.07 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2otm h ILE 122 CO -0.03 0.83 -0.54 0.49 -0.69 0.00 0.00 178.15 178.22 2otm n PHE 123 N -3.45 0.00 -1.77 1.37 3.01 0.07 -4.28 117.46 112.41 2otm n PHE 123 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.19 2otm n PHE 123 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 2otm n PHE 123 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2otm n GLY 124 N 1.34 3.25 0.25 1.37 0.00 -0.11 -1.91 105.19 109.37 2otm n GLY 124 Ca 0.07 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2otm n GLY 124 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2otm h GLU 125 N 0.00 0.00 0.00 1.61 4.39 -1.93 0.80 114.58 119.44 2otm h GLU 125 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2otm h GLU 125 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2otm h GLU 125 CO 0.00 0.09 0.00 0.00 -1.16 0.00 0.00 179.01 177.94 2otm n ALA 126 N -2.49 1.69 0.88 3.43 0.00 -0.80 -2.68 120.51 120.54 2otm n ALA 126 Ca -0.03 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2otm n ALA 126 Cb 0.17 -1.23 0.24 0.00 0.00 0.00 0.00 19.45 18.63 2otm n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otm n GLY 127 N -0.08 0.99 3.69 0.00 0.00 0.27 -0.58 105.19 109.48 2otm n GLY 127 Ca 0.04 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2otm n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otm s ARG 128 N -1.81 4.33 0.02 1.61 0.52 -1.09 -4.31 118.95 118.22 2otm s ARG 128 Ca 0.34 1.76 -0.02 0.00 -0.52 0.00 0.00 55.73 57.29 2otm s ARG 128 Cb 0.21 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 2otm s ARG 128 CO 0.31 -0.48 0.01 -3.38 0.02 0.00 0.00 175.30 171.78 2otm s HIS 129 N 2.24 0.24 0.77 -0.53 -3.43 -1.26 -4.51 115.29 108.81 2otm s HIS 129 Ca 0.58 -0.51 -0.11 0.00 -0.80 0.00 0.00 55.06 54.21 2otm s HIS 129 Cb -0.27 -0.18 0.06 0.00 -1.43 0.00 0.00 32.58 30.76 2otm s HIS 129 CO 0.23 -0.24 1.14 -1.54 -2.00 0.00 0.00 174.74 172.33 2otm s SER 130 N -1.66 4.84 0.00 7.38 1.04 -0.81 -4.93 113.70 119.57 2otm s SER 130 Ca -0.12 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2otm s SER 130 Cb -0.07 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.56 2otm s SER 130 CO -0.02 -1.70 0.00 -2.11 0.98 0.00 0.00 173.24 170.40 2otm n ARG 131 N -3.19 0.00 -3.65 4.02 1.85 -1.26 -1.85 116.66 112.59 2otm n ARG 131 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.90 2otm n ARG 131 Cb 0.60 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.94 2otm n ARG 131 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2otm s ILE 133 N -2.35 0.00 0.06 8.89 2.07 -1.26 -4.99 121.20 123.62 2otm s ILE 133 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2otm s ILE 133 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2otm s ILE 133 CO 0.00 0.00 -0.07 0.26 -1.91 0.00 0.00 174.94 173.22 2otm s TRP 134 N 0.16 0.71 -0.06 3.50 0.51 -0.38 -4.99 118.94 118.39 2otm s TRP 134 Ca 0.05 -0.67 0.02 0.00 -2.12 0.00 0.00 56.10 53.39 2otm s TRP 134 Cb -0.05 -0.42 -0.03 0.00 -0.81 0.00 0.00 33.47 32.16 2otm s TRP 134 CO -0.14 -0.13 -0.11 0.95 -0.51 0.00 0.00 176.95 177.01 2otm s THR 135 N -2.24 3.33 0.04 2.01 -4.23 -1.26 -1.54 115.64 111.75 2otm s THR 135 Ca -0.02 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 2otm s THR 135 Cb -0.04 -2.34 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 2otm s THR 135 CO -0.02 0.59 -0.13 0.20 -0.54 0.00 0.00 174.62 174.72 2otm s ASN 136 N -0.68 1.56 0.36 3.99 0.02 -0.66 -4.94 114.94 114.58 2otm s ASN 136 Ca 0.10 -0.46 0.19 0.00 -1.02 0.00 0.00 52.86 51.68 2otm s ASN 136 Cb -0.11 -0.09 0.45 0.00 0.02 0.00 0.00 41.25 41.52 2otm s ASN 136 CO 0.01 0.01 1.62 1.55 0.02 0.00 0.00 177.10 180.31 2otm h PRO 137 N 4.91 0.00 -4.92 -0.60 0.13 -1.95 -3.37 132.00 126.20 2otm h PRO 137 Ca -0.38 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.38 2otm h PRO 137 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2otm h PRO 137 CO 0.44 0.35 -0.61 0.08 -0.23 0.00 0.00 178.00 178.04 2otm s VAL 138 N -3.29 0.59 -0.12 1.56 1.01 -1.26 -5.00 120.40 113.89 2otm s VAL 138 Ca 0.03 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 59.91 2otm s VAL 138 Cb 0.09 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2otm s VAL 138 CO 0.70 0.00 0.21 -2.84 0.00 0.00 0.00 175.10 173.16 2otm s PRO 140 N -4.00 3.75 -1.27 2.72 0.02 -1.26 -5.07 135.00 129.89 2otm s PRO 140 Ca 0.37 -0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.37 2otm s PRO 140 Cb 0.08 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2otm s PRO 140 CO 0.14 0.62 0.00 1.28 -0.33 0.00 0.00 177.00 178.71 2otm n LEU 141 N 2.41 -0.50 -2.40 -5.54 4.77 -1.26 -1.53 117.00 112.94 2otm n LEU 141 Ca -0.17 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 2otm n LEU 141 Cb 0.54 -2.59 -0.01 0.00 -2.33 0.00 0.00 43.42 39.03 2otm n LEU 141 CO 0.34 -1.00 -0.19 0.59 -1.33 0.00 0.00 177.39 175.81 2otm n ASN 142 N -1.09 -4.45 -4.76 -1.43 3.02 -1.26 -4.94 115.26 100.36 2otm n ASN 142 Ca -0.12 0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 2otm n ASN 142 Cb 0.58 -3.76 0.03 0.00 -0.61 0.00 0.00 39.78 36.02 2otm n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2otm s SER 143 N -2.04 5.57 0.34 6.41 0.15 -0.58 -1.31 113.70 122.24 2otm s SER 143 Ca 0.00 2.86 0.08 0.00 0.70 0.00 0.00 55.95 59.59 2otm s SER 143 Cb 0.00 -2.65 0.60 0.00 -1.71 0.00 0.00 66.02 62.27 2otm s SER 143 CO 0.00 -1.38 1.80 0.25 1.20 0.00 0.00 173.24 175.11 2otm h LEU 144 N 1.90 0.23 -7.78 3.45 5.85 -1.33 -3.41 115.31 114.22 2otm h LEU 144 Ca -0.51 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 2otm h LEU 144 Cb 1.28 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 2otm h LEU 144 CO 0.59 0.52 -0.14 0.00 -0.34 0.00 0.00 178.44 179.07 2otm s LEU 146 N -2.89 1.77 -0.01 0.00 2.96 0.22 -4.53 118.68 116.20 2otm s LEU 146 Ca 0.10 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2otm s LEU 146 Cb 0.01 0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.80 2otm s LEU 146 CO -0.04 -0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.09 2otm s VAL 147 N 0.13 1.44 -0.04 1.68 1.01 -0.36 -0.90 120.40 123.36 2otm s VAL 147 Ca -0.01 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2otm s VAL 147 Cb -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2otm s VAL 147 CO -0.00 0.39 -0.14 -0.31 0.00 0.00 0.00 175.10 175.03 2otm s TYR 148 N -0.45 1.49 0.13 5.22 1.51 0.14 -0.47 117.35 124.92 2otm s TYR 148 Ca 0.07 -0.43 0.10 0.00 -1.01 0.00 0.00 57.07 55.80 2otm s TYR 148 Cb -0.07 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2otm s TYR 148 CO -0.01 -0.17 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.52 2otm s LEU 149 N 0.16 2.46 -0.06 -1.29 1.43 -1.26 -1.04 118.68 119.08 2otm s LEU 149 Ca -0.05 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2otm s LEU 149 Cb -0.11 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.81 2otm s LEU 149 CO 0.02 0.17 -0.07 -0.36 0.23 0.00 0.00 176.35 176.34 2otm s PHE 150 N -1.16 1.07 0.06 0.29 0.40 -0.68 -1.55 117.98 116.41 2otm s PHE 150 Ca 0.16 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 2otm s PHE 150 Cb -0.10 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 2otm s PHE 150 CO 0.08 -0.28 -0.15 0.00 0.70 0.00 0.00 175.22 175.57 2otm s ALA 151 N 1.05 1.27 -0.19 5.36 0.00 0.52 -1.68 121.76 128.09 2otm s ALA 151 Ca -0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2otm s ALA 151 Cb -0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2otm s ALA 151 CO -0.00 0.23 0.11 -2.00 0.00 0.00 0.00 175.76 174.10 2otm s GLU 152 N -1.40 4.13 0.00 0.00 2.12 0.38 -0.55 118.70 123.38 2otm s GLU 152 Ca 0.01 -0.25 0.15 0.00 0.36 0.00 0.00 54.97 55.24 2otm s GLU 152 Cb -0.09 -3.36 0.12 0.00 0.26 0.00 0.00 34.13 31.06 2otm s GLU 152 CO 0.02 0.29 0.99 1.28 -0.54 0.00 0.00 175.26 177.30