#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnm s THR 6 N 0.00 3.86 0.22 0.58 -4.23 -1.26 -4.95 115.64 109.87 2bnm s THR 6 Ca 0.00 -0.75 -0.08 0.00 -1.18 0.00 0.00 61.69 59.68 2bnm s THR 6 Cb 0.00 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.63 2bnm s THR 6 CO 0.00 -0.21 1.81 0.00 -0.54 0.00 0.00 174.62 175.68 2bnm h ALA 7 N 0.59 0.99 -0.42 3.99 0.00 -2.00 -0.48 119.26 121.94 2bnm h ALA 7 Ca -0.45 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2bnm h ALA 7 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2bnm h ALA 7 CO 0.54 0.07 -0.25 0.77 0.00 0.00 0.00 179.25 180.39 2bnm h SER 8 N 0.73 0.90 -0.09 0.00 0.02 -1.92 0.85 113.55 114.04 2bnm h SER 8 Ca 0.33 -0.35 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 2bnm h SER 8 Cb 0.24 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2bnm h SER 8 CO -0.20 1.10 -0.55 0.71 -1.14 0.00 0.00 176.83 176.75 2bnm h THR 9 N 0.75 1.30 -0.04 -2.27 1.35 -1.80 -0.39 112.91 111.83 2bnm h THR 9 Ca 0.09 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2bnm h THR 9 Cb 0.80 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2bnm h THR 9 CO 0.07 0.56 0.02 1.23 -0.25 0.00 0.00 175.52 177.15 2bnm h GLY 10 N 0.92 0.05 0.99 5.82 0.00 -1.01 -1.78 103.07 108.06 2bnm h GLY 10 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2bnm h GLY 10 CO 0.11 0.02 0.29 -2.75 0.00 0.00 0.00 176.54 174.21 2bnm h PHE 11 N 0.03 0.81 -0.53 5.60 3.57 -0.81 -1.55 116.94 124.07 2bnm h PHE 11 Ca 0.01 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2bnm h PHE 11 Cb 0.01 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 2bnm h PHE 11 CO -0.07 0.60 0.28 0.00 -2.23 0.00 0.00 178.31 176.90 2bnm h ALA 12 N 1.13 0.68 -0.22 2.41 0.00 -0.82 0.34 119.26 122.77 2bnm h ALA 12 Ca 0.20 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2bnm h ALA 12 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2bnm h ALA 12 CO -0.03 -0.04 -0.02 0.93 0.00 0.00 0.00 179.25 180.09 2bnm h GLU 13 N 0.55 0.39 -0.14 0.00 5.08 -1.12 -2.37 114.58 116.98 2bnm h GLU 13 Ca 0.23 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2bnm h GLU 13 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2bnm h GLU 13 CO -0.14 0.60 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.87 2bnm h LEU 14 N 0.14 0.45 -0.12 1.33 3.38 -0.95 -1.59 115.31 117.96 2bnm h LEU 14 Ca 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2bnm h LEU 14 Cb 0.44 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2bnm h LEU 14 CO 0.01 0.90 0.03 0.25 0.09 0.00 0.00 178.44 179.73 2bnm h LEU 15 N 0.32 0.18 -0.60 1.67 5.85 -0.35 -1.34 115.31 121.03 2bnm h LEU 15 Ca 0.01 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2bnm h LEU 15 Cb 1.04 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 2bnm h LEU 15 CO 0.09 0.34 0.34 0.50 -0.34 0.00 0.00 178.44 179.37 2bnm h LYS 16 N 0.00 0.63 -0.05 1.25 3.64 -1.31 0.39 116.57 121.12 2bnm h LYS 16 Ca 0.04 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2bnm h LYS 16 Cb 0.23 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2bnm h LYS 16 CO -0.00 0.42 -0.07 0.22 -2.27 0.00 0.00 179.45 177.75 2bnm h ASP 17 N 0.65 -0.21 -0.40 4.20 1.82 -1.14 -1.27 116.42 120.07 2bnm h ASP 17 Ca 0.26 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.87 2bnm h ASP 17 Cb 0.12 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2bnm h ASP 17 CO -0.15 -0.10 -0.01 -0.09 -1.61 0.00 0.00 179.24 177.28 2bnm h ARG 18 N -0.10 0.71 -0.60 0.28 9.65 -0.93 -0.62 114.38 122.77 2bnm h ARG 18 Ca 0.04 -0.23 0.06 0.00 -1.10 0.00 0.00 59.98 58.75 2bnm h ARG 18 Cb 0.16 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.62 2bnm h ARG 18 CO -0.11 0.81 0.31 -0.09 2.80 0.00 0.00 179.97 183.69 2bnm h ARG 19 N 0.54 0.55 -0.46 0.20 2.43 -0.79 -1.84 114.38 115.01 2bnm h ARG 19 Ca 0.11 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2bnm h ARG 19 Cb 0.50 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2bnm h ARG 19 CO 0.02 0.36 -0.02 0.93 -1.51 0.00 0.00 179.97 179.75 2bnm h GLU 20 N 0.57 0.78 -0.92 0.20 5.08 -1.05 -2.17 114.58 117.06 2bnm h GLU 20 Ca 0.28 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2bnm h GLU 20 Cb 0.22 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2bnm h GLU 20 CO -0.20 0.80 0.61 1.96 -1.00 0.00 0.00 179.01 181.18 2bnm h GLN 21 N 0.72 1.15 -0.64 2.33 4.20 -0.31 -1.68 115.11 120.88 2bnm h GLN 21 Ca 0.14 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2bnm h GLN 21 Cb 0.47 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2bnm h GLN 21 CO 0.02 0.76 0.00 1.33 -0.67 0.00 0.00 178.83 180.28 2bnm n VAL 22 N -4.43 1.49 -1.67 -0.54 0.24 -0.86 -4.94 118.33 107.62 2bnm n VAL 22 Ca 0.12 -1.00 -0.16 0.00 -2.04 0.00 0.00 64.34 61.26 2bnm n VAL 22 Cb 0.08 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 2bnm n VAL 22 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2bnm n LYS 23 N 1.04 -1.13 -3.26 7.34 4.76 -0.63 -5.00 118.16 121.29 2bnm n LYS 23 Ca 0.23 0.98 -0.38 0.00 -2.87 0.00 0.00 58.31 56.26 2bnm n LYS 23 Cb 0.76 -5.19 -0.06 0.00 -1.84 0.00 0.00 35.03 28.70 2bnm n LYS 23 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2bnm s MET 24 N -3.69 4.21 0.75 1.97 -1.94 -0.85 -5.02 119.30 114.73 2bnm s MET 24 Ca 0.00 0.75 -0.04 0.00 -1.71 0.00 0.00 55.69 54.69 2bnm s MET 24 Cb 0.00 -3.20 0.16 0.00 2.01 0.00 0.00 34.83 33.80 2bnm s MET 24 CO 0.00 0.61 1.02 -0.40 -0.01 0.00 0.00 175.02 176.25 2bnm n ASP 25 N 1.59 1.01 -0.26 3.03 5.68 -1.26 -4.46 116.55 121.89 2bnm n ASP 25 Ca -0.09 -1.94 -0.03 0.00 -0.50 0.00 0.00 54.79 52.22 2bnm n ASP 25 Cb 0.51 -0.70 0.08 0.00 -1.14 0.00 0.00 41.12 39.87 2bnm n ASP 25 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2bnm h HIS 26 N -0.86 0.86 -0.51 2.11 3.86 -1.99 -2.39 115.15 116.24 2bnm h HIS 26 Ca -0.34 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 2bnm h HIS 26 Cb 1.15 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 2bnm h HIS 26 CO 0.00 0.50 0.29 0.00 0.86 0.00 0.00 177.93 179.58 2bnm h ALA 27 N 1.30 0.65 -0.23 2.45 0.00 -1.94 0.94 119.26 122.43 2bnm h ALA 27 Ca 0.29 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2bnm h ALA 27 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2bnm h ALA 27 CO -0.10 0.15 0.06 0.00 0.00 0.00 0.00 179.25 179.36 2bnm h ALA 28 N 1.13 0.24 -0.44 0.00 0.00 -1.87 -1.02 119.26 117.29 2bnm h ALA 28 Ca 0.18 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2bnm h ALA 28 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2bnm h ALA 28 CO -0.03 -0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.10 2bnm h LEU 29 N 0.15 0.77 -1.31 0.00 5.85 -1.26 -3.07 115.31 116.43 2bnm h LEU 29 Ca 0.10 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2bnm h LEU 29 Cb 0.09 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2bnm h LEU 29 CO -0.12 0.89 0.49 0.00 -0.34 0.00 0.00 178.44 179.35 2bnm h ALA 30 N 0.91 1.57 0.00 1.25 0.00 -0.52 -1.57 119.26 120.90 2bnm h ALA 30 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bnm h ALA 30 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bnm h ALA 30 CO 0.02 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2bnm h SER 31 N 0.89 0.00 0.26 0.00 4.64 -1.09 -1.67 113.55 116.59 2bnm h SER 31 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2bnm h SER 31 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2bnm h SER 31 CO -0.08 0.00 -0.31 0.18 -0.87 0.00 0.00 176.83 175.74 2bnm n LEU 32 N -2.95 0.99 0.00 5.97 4.77 -0.59 -4.54 117.00 120.64 2bnm n LEU 32 Ca -0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 2bnm n LEU 32 Cb 0.20 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2bnm n LEU 32 CO 0.23 0.19 0.24 0.18 -1.33 0.00 0.00 177.39 176.90 2bnm n LEU 33 N -0.76 0.86 -2.63 2.23 4.77 -0.64 -5.01 117.00 115.83 2bnm n LEU 33 Ca 0.11 -0.86 -0.19 0.00 -0.03 0.00 0.00 56.01 55.04 2bnm n LEU 33 Cb 0.35 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2bnm n LEU 33 CO 0.28 0.22 0.01 0.61 -1.33 0.00 0.00 177.39 177.17 2bnm n GLY 34 N -0.10 -0.35 3.42 -0.72 0.00 -1.16 -5.03 105.19 101.25 2bnm n GLY 34 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2bnm n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnm s GLU 35 N -5.55 1.56 0.53 1.61 0.41 -1.17 -5.12 118.70 110.98 2bnm s GLU 35 Ca 0.27 -1.83 -0.12 0.00 -0.41 0.00 0.00 54.97 52.87 2bnm s GLU 35 Cb -0.12 -0.87 -0.06 0.00 -1.78 0.00 0.00 34.13 31.30 2bnm s GLU 35 CO 0.33 -0.12 0.95 0.99 -0.49 0.00 0.00 175.26 176.92 2bnm s THR 36 N -3.26 4.68 0.35 3.63 2.01 -1.26 -4.39 115.64 117.39 2bnm s THR 36 Ca 0.33 0.89 0.07 0.00 0.31 0.00 0.00 61.69 63.30 2bnm s THR 36 Cb 0.07 -3.79 0.31 0.00 0.01 0.00 0.00 72.50 69.10 2bnm s THR 36 CO 0.13 -0.86 1.89 -0.65 -0.69 0.00 0.00 174.62 174.44 2bnm h PRO 37 N 0.43 0.73 -0.99 4.92 0.11 -1.90 -2.25 132.00 133.06 2bnm h PRO 37 Ca -0.46 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2bnm h PRO 37 Cb 1.19 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 2bnm h PRO 37 CO 0.62 0.48 0.64 1.49 -0.21 0.00 0.00 178.00 181.02 2bnm h GLU 38 N 0.75 1.13 -0.30 1.05 4.81 -1.94 -0.41 114.58 119.67 2bnm h GLU 38 Ca 0.42 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.45 2bnm h GLU 38 Cb 0.58 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2bnm h GLU 38 CO -0.19 0.74 -0.33 1.15 -0.73 0.00 0.00 179.01 179.66 2bnm h THR 39 N 1.16 1.30 -0.67 0.32 2.02 -1.80 -0.10 112.91 115.14 2bnm h THR 39 Ca 0.42 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2bnm h THR 39 Cb 0.15 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2bnm h THR 39 CO -0.17 0.49 0.42 0.58 0.37 0.00 0.00 175.52 177.21 2bnm h VAL 40 N 0.51 1.18 -0.94 3.16 2.07 -1.11 -0.94 116.25 120.18 2bnm h VAL 40 Ca 0.04 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2bnm h VAL 40 Cb 0.91 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2bnm h VAL 40 CO 0.08 0.19 0.59 0.00 0.02 0.00 0.00 177.57 178.45 2bnm h ALA 41 N 1.23 1.28 -0.62 1.67 0.00 -0.90 -2.23 119.26 119.67 2bnm h ALA 41 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2bnm h ALA 41 Cb -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 2bnm h ALA 41 CO -0.05 0.64 0.36 0.00 0.00 0.00 0.00 179.25 180.20 2bnm h ALA 42 N 1.37 0.80 -0.92 0.00 0.00 -0.38 -1.74 119.26 118.40 2bnm h ALA 42 Ca 0.34 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2bnm h ALA 42 Cb -0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.37 2bnm h ALA 42 CO -0.07 0.30 0.57 -1.49 0.00 0.00 0.00 179.25 178.56 2bnm h TRP 43 N 0.85 1.04 0.00 0.00 6.55 -0.62 -0.86 115.95 122.92 2bnm h TRP 43 Ca 0.22 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.09 2bnm h TRP 43 Cb 0.01 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 27.98 2bnm h TRP 43 CO -0.01 0.49 0.00 0.39 -1.05 0.00 0.00 178.44 178.25 2bnm n GLU 44 N -4.62 0.02 -0.29 0.49 1.02 -0.90 -1.77 120.64 114.59 2bnm n GLU 44 Ca 0.15 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 2bnm n GLU 44 Cb 0.24 -1.53 0.28 0.00 -0.02 0.00 0.00 31.44 30.40 2bnm n GLU 44 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2bnm n ASN 45 N -1.58 3.35 0.00 1.62 3.02 -0.46 -4.71 115.26 116.51 2bnm n ASN 45 Ca 0.05 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2bnm n ASN 45 Cb 0.27 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2bnm n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bnm n GLY 46 N 1.50 0.89 2.21 7.41 0.00 -0.73 -4.99 105.19 111.48 2bnm n GLY 46 Ca 0.21 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2bnm n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bnm n GLU 47 N -2.21 2.37 -0.34 1.61 1.02 -0.45 -4.44 120.64 118.20 2bnm n GLU 47 Ca 0.00 -3.01 0.11 0.00 -0.02 0.00 0.00 57.16 54.24 2bnm n GLU 47 Cb 0.00 -2.18 0.30 0.00 -0.02 0.00 0.00 31.44 29.54 2bnm n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bnm n GLY 48 N -1.06 2.51 0.29 0.62 0.00 -1.26 -4.63 105.19 101.67 2bnm n GLY 48 Ca 0.58 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2bnm n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bnm h GLY 49 N 4.03 0.00 -1.81 -0.02 0.00 -1.91 -1.75 103.07 101.60 2bnm h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bnm h GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2bnm n GLU 50 N -3.90 2.25 -1.89 4.80 -0.58 -1.26 -4.93 120.64 115.12 2bnm n GLU 50 Ca -0.03 -1.88 -0.41 0.00 -0.42 0.00 0.00 57.16 54.42 2bnm n GLU 50 Cb 0.09 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 2bnm n GLU 50 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2bnm s LEU 51 N -1.49 4.36 0.67 -4.62 1.43 -0.66 -4.99 118.68 113.38 2bnm s LEU 51 Ca 0.36 2.86 -0.08 0.00 -1.03 0.00 0.00 54.13 56.24 2bnm s LEU 51 Cb 0.21 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.82 2bnm s LEU 51 CO 0.29 -0.81 1.01 0.42 0.23 0.00 0.00 176.35 177.50 2bnm s THR 52 N -0.31 3.03 0.22 5.49 -4.23 -1.26 -4.87 115.64 113.71 2bnm s THR 52 Ca 0.59 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 61.05 2bnm s THR 52 Cb -0.45 -3.28 0.16 0.00 1.34 0.00 0.00 72.50 70.28 2bnm s THR 52 CO 0.50 -0.32 1.80 0.25 -0.54 0.00 0.00 174.62 176.31 2bnm h LEU 53 N -0.50 0.56 -0.36 4.79 5.85 -1.99 0.14 115.31 123.79 2bnm h LEU 53 Ca -0.45 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2bnm h LEU 53 Cb 1.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2bnm h LEU 53 CO 0.62 0.35 0.18 0.74 -0.34 0.00 0.00 178.44 179.98 2bnm h THR 54 N 0.69 1.16 -0.70 1.05 2.02 -1.99 -0.42 112.91 114.71 2bnm h THR 54 Ca 0.33 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2bnm h THR 54 Cb 0.25 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2bnm h THR 54 CO -0.21 0.17 0.37 1.56 0.37 0.00 0.00 175.52 177.78 2bnm h GLN 55 N 0.45 0.99 -0.67 6.66 4.20 -1.75 -2.12 115.11 122.88 2bnm h GLN 55 Ca 0.13 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2bnm h GLN 55 Cb 0.11 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2bnm h GLN 55 CO -0.02 0.76 0.21 -0.07 -0.67 0.00 0.00 178.83 179.04 2bnm h LEU 56 N 0.97 0.95 -1.07 1.46 3.38 -0.37 -1.22 115.31 119.42 2bnm h LEU 56 Ca 0.25 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2bnm h LEU 56 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2bnm h LEU 56 CO -0.04 0.89 0.63 1.23 0.09 0.00 0.00 178.44 181.24 2bnm h GLY 57 N 1.06 1.38 1.19 0.83 0.00 -0.66 -0.59 103.07 106.30 2bnm h GLY 57 Ca 0.22 -0.48 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 2bnm h GLY 57 CO -0.01 0.43 -0.71 -0.09 0.00 0.00 0.00 176.54 176.16 2bnm h ARG 58 N 1.23 0.81 -0.30 4.80 2.43 -0.74 -0.38 114.38 122.22 2bnm h ARG 58 Ca 0.38 -0.61 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 2bnm h ARG 58 Cb -0.02 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2bnm h ARG 58 CO -0.11 1.23 0.13 0.82 -1.51 0.00 0.00 179.97 180.53 2bnm h ILE 59 N 0.57 0.96 -0.59 1.20 2.04 -0.96 0.01 117.51 120.75 2bnm h ILE 59 Ca -0.03 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2bnm h ILE 59 Cb 1.33 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2bnm h ILE 59 CO 0.15 0.05 0.25 0.00 0.00 0.00 0.00 178.15 178.61 2bnm h ALA 60 N 1.17 0.76 -0.05 1.87 0.00 -1.02 -2.09 119.26 119.90 2bnm h ALA 60 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2bnm h ALA 60 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bnm h ALA 60 CO -0.11 0.35 -0.06 1.25 0.00 0.00 0.00 179.25 180.69 2bnm h HIS 61 N 0.81 -0.14 0.00 0.00 -0.00 -0.59 -0.41 115.15 114.82 2bnm h HIS 61 Ca 0.20 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 2bnm h HIS 61 Cb 0.17 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2bnm h HIS 61 CO 0.01 -0.09 -0.15 -0.39 -0.00 0.00 0.00 177.93 177.31 2bnm h VAL 62 N -0.08 0.47 -0.36 5.26 -1.51 -0.85 -0.52 116.25 118.66 2bnm h VAL 62 Ca 0.04 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2bnm h VAL 62 Cb 0.14 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2bnm h VAL 62 CO -0.10 0.14 0.00 0.18 -1.23 0.00 0.00 177.57 176.56 2bnm n LEU 63 N -3.44 2.12 -3.20 4.19 4.77 -0.80 -4.95 117.00 115.69 2bnm n LEU 63 Ca -0.01 -1.03 -0.22 0.00 -0.03 0.00 0.00 56.01 54.72 2bnm n LEU 63 Cb 0.32 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 2bnm n LEU 63 CO 0.31 0.51 0.13 0.61 -1.33 0.00 0.00 177.39 177.62 2bnm n GLY 64 N 1.16 -0.48 0.00 -0.72 0.00 -0.20 -4.96 105.19 99.99 2bnm n GLY 64 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2bnm n GLY 64 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bnm n THR 65 N -4.71 0.00 -4.23 2.61 5.66 -0.27 -5.03 114.28 108.31 2bnm n THR 65 Ca -0.05 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 2bnm n THR 65 Cb 0.59 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 2bnm n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bnm s SER 66 N 0.54 4.86 0.30 1.09 1.04 -1.26 -4.12 113.70 116.14 2bnm s SER 66 Ca 0.00 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2bnm s SER 66 Cb 0.00 -1.03 0.58 0.00 0.10 0.00 0.00 66.02 65.67 2bnm s SER 66 CO 0.00 -0.00 1.86 0.40 0.98 0.00 0.00 173.24 176.47 2bnm h ILE 67 N 1.81 0.94 -0.79 -1.02 2.04 -1.92 -2.26 117.51 116.31 2bnm h ILE 67 Ca -0.46 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.13 2bnm h ILE 67 Cb 1.24 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2bnm h ILE 67 CO 0.60 0.18 0.52 1.23 0.00 0.00 0.00 178.15 180.68 2bnm h GLY 68 N 0.97 1.09 2.00 5.37 0.00 -1.95 -1.00 103.07 109.55 2bnm h GLY 68 Ca 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2bnm h GLY 68 CO -0.23 0.26 -0.03 0.00 0.00 0.00 0.00 176.54 176.54 2bnm h ALA 69 N 1.57 1.02 -0.16 3.60 0.00 -1.81 -2.83 119.26 120.65 2bnm h ALA 69 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2bnm h ALA 69 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bnm h ALA 69 CO -0.12 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.45 2bnm n LEU 70 N -3.15 2.99 -4.30 0.00 4.77 -0.42 -4.90 117.00 112.00 2bnm n LEU 70 Ca -0.00 -1.21 -0.23 0.00 -0.03 0.00 0.00 56.01 54.54 2bnm n LEU 70 Cb 0.28 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 2bnm n LEU 70 CO 0.27 0.57 -0.50 -0.89 -1.33 0.00 0.00 177.39 175.51 2bnm s THR 71 N -1.63 1.74 0.78 -5.08 2.01 -0.98 -4.04 115.64 108.44 2bnm s THR 71 Ca 0.29 -1.66 -0.11 0.00 0.31 0.00 0.00 61.69 60.52 2bnm s THR 71 Cb 0.19 -1.65 0.06 0.00 0.01 0.00 0.00 72.50 71.11 2bnm s THR 71 CO 0.28 -0.15 1.08 -2.16 -0.69 0.00 0.00 174.62 172.99 2bnm s PRO 72 N -2.20 2.25 1.17 4.92 0.04 -1.26 -4.90 135.00 135.03 2bnm s PRO 72 Ca 0.09 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 2bnm s PRO 72 Cb -0.09 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.81 2bnm s PRO 72 CO 0.05 -1.55 1.04 -1.25 0.04 0.00 0.00 177.00 175.33 2bnm s PRO 73 N -5.06 -0.97 0.44 0.56 0.04 -1.26 -4.88 135.00 123.87 2bnm s PRO 73 Ca 0.60 0.53 0.18 0.00 0.04 0.00 0.00 61.00 62.35 2bnm s PRO 73 Cb -0.15 -1.57 1.11 0.00 0.04 0.00 0.00 34.50 33.93 2bnm s PRO 73 CO 0.55 -3.67 1.93 0.00 0.04 0.00 0.00 177.00 175.84 2bnm h ALA 74 N -2.57 2.19 0.00 8.56 0.00 -1.96 -3.48 119.26 122.00 2bnm h ALA 74 Ca -0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2bnm h ALA 74 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2bnm h ALA 74 CO 0.48 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2bnm n GLY 75 N -1.54 0.96 2.99 0.00 0.00 -1.26 -4.99 105.19 101.35 2bnm n GLY 75 Ca 0.14 -2.32 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 2bnm n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bnm s ASN 76 N 0.00 4.11 -0.11 1.61 3.84 -1.26 -4.00 114.94 119.14 2bnm s ASN 76 Ca 0.00 -1.29 0.15 0.00 0.21 0.00 0.00 52.86 51.93 2bnm s ASN 76 Cb 0.00 -1.34 0.49 0.00 -0.55 0.00 0.00 41.25 39.86 2bnm s ASN 76 CO 0.00 -0.22 1.41 -0.90 -2.79 0.00 0.00 177.10 174.60 2bnm n ASP 77 N 4.57 3.77 -4.91 -4.21 5.68 -1.26 -5.02 116.55 115.17 2bnm n ASP 77 Ca -0.12 -2.58 -0.28 0.00 -0.50 0.00 0.00 54.79 51.31 2bnm n ASP 77 Cb 0.43 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 2bnm n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2bnm s LEU 78 N -2.05 3.85 -0.48 -2.12 1.43 -1.26 -4.87 118.68 113.18 2bnm s LEU 78 Ca 0.38 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.25 2bnm s LEU 78 Cb 0.27 -3.72 0.13 0.00 0.03 0.00 0.00 46.19 42.90 2bnm s LEU 78 CO 0.14 -0.39 0.32 -0.62 0.23 0.00 0.00 176.35 176.02 2bnm s ASP 79 N -3.66 5.48 -1.48 2.29 2.15 0.13 -4.62 116.67 116.96 2bnm s ASP 79 Ca 0.46 -2.13 -0.04 0.00 0.43 0.00 0.00 52.55 51.27 2bnm s ASP 79 Cb -0.10 -1.92 0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2bnm s ASP 79 CO 0.37 -0.58 0.07 0.47 -0.17 0.00 0.00 175.17 175.33 2bnm n ASP 80 N 4.53 0.39 0.00 -0.34 8.00 -1.26 -2.31 116.55 125.56 2bnm n ASP 80 Ca -0.02 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.22 2bnm n ASP 80 Cb 0.41 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 2bnm n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bnm n GLY 81 N -2.50 0.33 3.11 0.44 0.00 -1.26 -5.05 105.19 100.25 2bnm n GLY 81 Ca -0.30 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2bnm n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnm s VAL 82 N -2.05 0.88 0.00 1.61 0.11 -0.98 -5.03 120.40 114.95 2bnm s VAL 82 Ca 0.00 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.98 2bnm s VAL 82 Cb 0.00 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2bnm s VAL 82 CO 0.00 -0.19 -0.03 -0.51 -3.33 0.00 0.00 175.10 171.05 2bnm s ILE 83 N -1.11 0.19 -0.01 7.04 2.07 -1.26 0.20 121.20 128.31 2bnm s ILE 83 Ca -0.03 -0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.02 2bnm s ILE 83 Cb -0.09 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 2bnm s ILE 83 CO 0.01 -0.05 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.12 2bnm s ILE 84 N -0.32 1.93 -0.12 2.00 1.01 -1.26 -5.03 121.20 119.41 2bnm s ILE 84 Ca -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.58 2bnm s ILE 84 Cb -0.03 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2bnm s ILE 84 CO -0.00 0.53 -0.18 -1.58 0.00 0.00 0.00 174.94 173.71 2bnm s GLN 85 N -0.63 2.54 0.46 2.79 0.74 -1.26 -5.06 119.66 119.25 2bnm s GLN 85 Ca 0.10 -0.68 -0.19 0.00 0.05 0.00 0.00 55.36 54.63 2bnm s GLN 85 Cb -0.09 -2.11 -0.10 0.00 1.10 0.00 0.00 33.01 31.81 2bnm s GLN 85 CO -0.01 -0.05 0.96 -1.64 -0.55 0.00 0.00 175.29 174.01 2bnm s MET 86 N 0.93 4.12 0.39 1.67 -1.94 -1.26 -4.91 119.30 118.29 2bnm s MET 86 Ca -0.07 1.07 0.09 0.00 -1.71 0.00 0.00 55.69 55.07 2bnm s MET 86 Cb -0.15 -2.16 0.87 0.00 2.01 0.00 0.00 34.83 35.39 2bnm s MET 86 CO -0.02 -0.13 1.96 -1.35 -0.01 0.00 0.00 175.02 175.48 2bnm h PRO 87 N 1.54 0.59 0.00 2.03 0.11 -2.00 -1.78 132.00 132.48 2bnm h PRO 87 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bnm h PRO 87 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2bnm h PRO 87 CO 0.61 0.39 0.00 -0.25 -0.21 0.00 0.00 178.00 178.54 2bnm n ASP 88 N -4.48 0.47 0.10 -2.05 8.00 -1.26 -2.77 116.55 114.56 2bnm n ASP 88 Ca 0.10 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.33 2bnm n ASP 88 Cb 0.30 -0.71 0.44 0.00 -0.02 0.00 0.00 41.12 41.13 2bnm n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bnm n GLU 89 N -2.01 0.22 -1.87 -1.24 1.02 -0.67 -4.91 120.64 111.18 2bnm n GLU 89 Ca 0.03 0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 2bnm n GLU 89 Cb 0.25 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 2bnm n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bnm s ARG 90 N -3.15 4.18 0.57 3.49 0.52 -1.11 -4.97 118.95 118.48 2bnm s ARG 90 Ca 0.09 2.39 -0.20 0.00 -0.52 0.00 0.00 55.73 57.49 2bnm s ARG 90 Cb 0.12 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 2bnm s ARG 90 CO 0.53 -0.79 1.19 -2.30 0.02 0.00 0.00 175.30 173.95 2bnm n PRO 91 N 6.01 1.30 -3.87 3.54 -0.02 -1.26 -4.73 135.00 135.98 2bnm n PRO 91 Ca 0.17 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 61.94 2bnm n PRO 91 Cb 0.40 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 2bnm n PRO 91 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2bnm s ILE 92 N -1.38 0.23 -0.05 4.25 1.01 -1.26 -0.27 121.20 123.73 2bnm s ILE 92 Ca 0.74 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.56 2bnm s ILE 92 Cb -0.42 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2bnm s ILE 92 CO 0.47 0.19 -0.18 -0.22 0.00 0.00 0.00 174.94 175.21 2bnm s LEU 93 N 1.48 2.51 -0.19 2.97 2.96 -0.82 -4.99 118.68 122.60 2bnm s LEU 93 Ca -0.03 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2bnm s LEU 93 Cb -0.13 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 2bnm s LEU 93 CO -0.03 0.31 0.12 -0.54 -1.32 0.00 0.00 176.35 174.89 2bnm s LYS 94 N -0.51 4.04 -0.56 1.98 1.02 -1.26 -0.36 119.74 124.09 2bnm s LYS 94 Ca 0.07 -0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.58 2bnm s LYS 94 Cb -0.11 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2bnm s LYS 94 CO 0.01 0.36 0.94 0.20 -0.92 0.00 0.00 175.35 175.94 2bnm s GLY 95 N 0.17 1.41 -0.03 -3.33 0.00 0.14 -4.99 107.32 100.68 2bnm s GLY 95 Ca 0.08 -1.30 0.07 0.00 0.00 0.00 0.00 44.72 43.57 2bnm s GLY 95 CO -0.01 2.05 -0.24 0.54 0.00 0.00 0.00 173.10 175.44 2bnm s VAL 96 N 3.95 1.91 -0.13 1.40 0.11 -1.26 0.10 120.40 126.48 2bnm s VAL 96 Ca 0.29 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2bnm s VAL 96 Cb -0.13 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.15 2bnm s VAL 96 CO 0.18 0.54 -0.05 -0.13 -3.33 0.00 0.00 175.10 172.31 2bnm s ARG 97 N -0.38 1.33 -1.32 1.54 0.52 -0.09 -4.87 118.95 115.68 2bnm s ARG 97 Ca 0.04 -0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 54.93 2bnm s ARG 97 Cb -0.11 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2bnm s ARG 97 CO 0.01 -0.35 0.68 -3.47 0.02 0.00 0.00 175.30 172.18 2bnm n ASP 98 N 4.95 -1.15 -1.62 0.23 2.03 -1.26 -1.28 116.55 118.46 2bnm n ASP 98 Ca -0.11 -0.84 -0.19 0.00 0.52 0.00 0.00 54.79 54.17 2bnm n ASP 98 Cb 0.49 -3.96 -0.07 0.00 -0.72 0.00 0.00 41.12 36.86 2bnm n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2bnm n ASN 99 N -3.05 -5.36 -4.15 1.67 5.03 -1.26 -4.99 115.26 103.15 2bnm n ASN 99 Ca -0.29 0.38 -0.32 0.00 0.87 0.00 0.00 54.58 55.22 2bnm n ASN 99 Cb 0.68 -4.53 -0.17 0.00 -1.02 0.00 0.00 39.78 34.74 2bnm n ASN 99 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2bnm s VAL 100 N -2.76 1.93 0.09 2.41 1.01 -0.40 -5.12 120.40 117.56 2bnm s VAL 100 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 2bnm s VAL 100 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 2bnm s VAL 100 CO 0.00 0.53 0.88 -1.81 0.00 0.00 0.00 175.10 174.70 2bnm s ASP 101 N 0.79 7.39 -0.10 3.32 1.01 -1.26 -0.91 116.67 126.90 2bnm s ASP 101 Ca -0.08 1.66 0.04 0.00 0.71 0.00 0.00 52.55 54.88 2bnm s ASP 101 Cb -0.16 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 2bnm s ASP 101 CO -0.00 -0.02 -0.05 -1.22 0.21 0.00 0.00 175.17 174.08 2bnm n TYR 102 N 2.73 0.00 -3.96 4.23 4.02 0.12 -4.68 117.16 119.62 2bnm n TYR 102 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 2bnm n TYR 102 Cb 0.49 -0.44 -0.12 0.00 -0.02 0.00 0.00 39.34 39.25 2bnm n TYR 102 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2bnm s TYR 103 N -2.22 0.22 -0.17 -0.72 1.51 -1.09 -0.47 117.35 114.40 2bnm s TYR 103 Ca -0.11 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2bnm s TYR 103 Cb 0.03 -0.15 0.02 0.00 -0.11 0.00 0.00 41.96 41.75 2bnm s TYR 103 CO 0.30 -0.10 -0.20 0.08 -1.11 0.00 0.00 175.55 174.52 2bnm s VAL 104 N -0.84 2.12 -0.41 0.71 1.01 0.30 0.26 120.40 123.55 2bnm s VAL 104 Ca -0.08 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 2bnm s VAL 104 Cb -0.06 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2bnm s VAL 104 CO -0.00 0.54 0.37 -0.31 0.00 0.00 0.00 175.10 175.69 2bnm s TYR 105 N 1.16 3.20 -0.40 5.22 1.51 0.52 -0.74 117.35 127.82 2bnm s TYR 105 Ca 0.02 -0.42 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 2bnm s TYR 105 Cb -0.14 -2.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2bnm s TYR 105 CO -0.10 -0.62 0.29 -0.80 -1.11 0.00 0.00 175.55 173.21 2bnm s ASN 106 N 1.75 6.07 -0.21 2.29 0.02 0.23 -1.95 114.94 123.13 2bnm s ASN 106 Ca 0.09 -0.88 -0.25 0.00 -1.02 0.00 0.00 52.86 50.81 2bnm s ASN 106 Cb -0.18 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 38.94 2bnm s ASN 106 CO 0.12 -0.43 0.82 0.00 0.02 0.00 0.00 177.10 177.63 2bnm n LEU 108 N 5.68 0.00 -4.68 0.00 4.77 -0.22 -4.01 117.00 118.54 2bnm n LEU 108 Ca 0.05 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 2bnm n LEU 108 Cb 0.48 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2bnm n LEU 108 CO 0.47 -0.58 0.84 0.55 -1.33 0.00 0.00 177.39 177.34 2bnm n VAL 109 N -1.65 2.25 -4.29 4.08 3.14 -1.26 -4.72 118.33 115.89 2bnm n VAL 109 Ca 0.03 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.75 2bnm n VAL 109 Cb 0.09 -1.49 -0.10 0.00 -1.06 0.00 0.00 33.84 31.28 2bnm n VAL 109 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2bnm s ARG 110 N -2.00 1.23 -0.13 1.45 0.52 -1.26 -4.44 118.95 114.31 2bnm s ARG 110 Ca 0.58 -1.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.07 2bnm s ARG 110 Cb -0.55 -0.51 0.03 0.00 0.52 0.00 0.00 34.95 34.44 2bnm s ARG 110 CO 0.60 -0.08 0.36 -0.08 0.02 0.00 0.00 175.30 176.11 2bnm s THR 111 N -3.48 -0.00 0.48 0.02 -1.32 -1.26 -5.02 115.64 105.07 2bnm s THR 111 Ca 0.25 0.00 0.40 0.00 -1.21 0.00 0.00 61.69 61.13 2bnm s THR 111 Cb 0.05 -0.50 0.42 0.00 -1.51 0.00 0.00 72.50 70.96 2bnm s THR 111 CO 0.06 0.00 2.24 0.11 -2.21 0.00 0.00 174.62 174.82 2bnm h LYS 112 N 5.59 0.00 0.00 7.08 1.57 -1.94 -2.08 116.57 126.79 2bnm h LYS 112 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2bnm h LYS 112 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2bnm h LYS 112 CO 0.28 0.01 0.00 0.54 -0.57 0.00 0.00 179.45 179.71 2bnm n ARG 113 N -3.16 0.18 -3.06 3.15 5.12 -1.26 -4.13 116.66 113.51 2bnm n ARG 113 Ca -0.02 0.25 -0.17 0.00 -1.93 0.00 0.00 57.85 55.98 2bnm n ARG 113 Cb 0.15 -1.76 -0.03 0.00 -1.16 0.00 0.00 32.46 29.66 2bnm n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bnm n ALA 114 N -1.72 0.80 0.27 7.54 0.00 -0.79 -5.03 120.51 121.58 2bnm n ALA 114 Ca 0.04 -2.39 0.13 0.00 0.00 0.00 0.00 53.44 51.23 2bnm n ALA 114 Cb 0.33 -1.05 0.82 0.00 0.00 0.00 0.00 19.45 19.55 2bnm n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bnm h PRO 115 N 4.65 0.00 0.00 0.00 0.11 -1.69 -1.69 132.00 133.38 2bnm h PRO 115 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2bnm h PRO 115 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2bnm h PRO 115 CO 0.31 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.97 2bnm n SER 116 N -4.06 0.68 -4.62 -2.05 3.41 -1.26 -4.70 113.62 101.03 2bnm n SER 116 Ca -0.02 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.77 2bnm n SER 116 Cb 0.13 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 2bnm n SER 116 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bnm s LEU 117 N -4.39 3.74 -0.37 1.04 2.96 -0.63 -3.63 118.68 117.39 2bnm s LEU 117 Ca 0.08 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 2bnm s LEU 117 Cb 0.11 -3.53 0.13 0.00 0.50 0.00 0.00 46.19 43.40 2bnm s LEU 117 CO 0.49 -1.36 0.20 -0.69 -1.32 0.00 0.00 176.35 173.67 2bnm s VAL 118 N 5.47 0.66 0.01 1.68 1.01 -0.28 -4.65 120.40 124.30 2bnm s VAL 118 Ca 0.68 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.59 2bnm s VAL 118 Cb -0.20 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 2bnm s VAL 118 CO 0.30 -0.91 0.43 -2.16 0.00 0.00 0.00 175.10 172.77 2bnm s PRO 119 N 0.93 3.98 0.02 2.72 0.04 -1.26 -1.73 135.00 139.70 2bnm s PRO 119 Ca 0.16 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.68 2bnm s PRO 119 Cb -0.23 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2bnm s PRO 119 CO -0.04 0.66 -0.06 -0.51 0.04 0.00 0.00 177.00 177.09 2bnm s LEU 120 N -1.01 2.12 -0.26 -3.56 1.43 0.96 -1.06 118.68 117.30 2bnm s LEU 120 Ca 0.25 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2bnm s LEU 120 Cb -0.17 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 2bnm s LEU 120 CO 0.14 -0.06 0.37 -0.69 0.23 0.00 0.00 176.35 176.35 2bnm s VAL 121 N -0.67 5.18 -0.27 -1.59 1.01 0.07 -0.78 120.40 123.35 2bnm s VAL 121 Ca -0.03 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 2bnm s VAL 121 Cb -0.05 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2bnm s VAL 121 CO 0.00 0.18 0.07 -0.69 0.00 0.00 0.00 175.10 174.66 2bnm s VAL 122 N 1.91 4.11 -0.20 2.92 1.01 0.80 -0.60 120.40 130.35 2bnm s VAL 122 Ca 0.16 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 2bnm s VAL 122 Cb -0.15 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2bnm s VAL 122 CO 0.09 0.23 0.63 -1.81 0.00 0.00 0.00 175.10 174.24 2bnm s ASP 123 N 1.56 6.68 -0.38 3.32 1.01 0.08 -1.47 116.67 127.47 2bnm s ASP 123 Ca 0.05 0.82 -0.13 0.00 0.71 0.00 0.00 52.55 54.00 2bnm s ASP 123 Cb -0.16 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2bnm s ASP 123 CO 0.03 -0.27 0.25 -0.69 0.21 0.00 0.00 175.17 174.69 2bnm s VAL 124 N 1.92 4.94 -0.29 -1.27 1.01 0.18 -0.54 120.40 126.36 2bnm s VAL 124 Ca 0.28 -0.70 0.22 0.00 0.00 0.00 0.00 61.98 61.78 2bnm s VAL 124 Cb -0.16 -3.73 -0.31 0.00 0.00 0.00 0.00 36.38 32.19 2bnm s VAL 124 CO 0.10 -0.24 0.60 0.18 0.00 0.00 0.00 175.10 175.74 2bnm n LEU 125 N 5.08 0.27 -4.79 3.92 4.77 0.38 -1.82 117.00 124.80 2bnm n LEU 125 Ca -0.12 -0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.36 2bnm n LEU 125 Cb 0.47 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2bnm n LEU 125 CO 0.38 0.06 0.12 0.28 -1.33 0.00 0.00 177.39 176.91 2bnm s THR 126 N -3.38 5.08 -0.24 -5.08 -1.32 -1.18 -4.77 115.64 104.75 2bnm s THR 126 Ca -0.04 0.87 0.10 0.00 -1.21 0.00 0.00 61.69 61.41 2bnm s THR 126 Cb 0.14 -3.75 0.44 0.00 -1.51 0.00 0.00 72.50 67.82 2bnm s THR 126 CO 0.90 0.49 1.21 -0.90 -2.21 0.00 0.00 174.62 174.11 2bnm n ASP 127 N 2.46 2.91 -4.07 8.08 5.75 -1.26 -1.10 116.55 129.32 2bnm n ASP 127 Ca -0.12 -3.83 -0.33 0.00 -0.01 0.00 0.00 54.79 50.50 2bnm n ASP 127 Cb 0.52 -0.46 -0.14 0.00 -1.03 0.00 0.00 41.12 40.01 2bnm n ASP 127 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bnm s ASN 128 N -3.37 4.90 0.66 -1.12 3.84 -1.26 -2.04 114.94 116.56 2bnm s ASN 128 Ca 0.43 -1.97 0.37 0.00 0.21 0.00 0.00 52.86 51.89 2bnm s ASN 128 Cb 0.38 -1.69 2.00 0.00 -0.55 0.00 0.00 41.25 41.39 2bnm s ASN 128 CO -0.03 -0.40 2.13 -0.65 -2.79 0.00 0.00 177.10 175.36 2bnm h PRO 129 N 7.80 0.00 -0.09 0.43 0.11 -1.92 0.30 132.00 138.64 2bnm h PRO 129 Ca -0.10 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.04 2bnm h PRO 129 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2bnm h PRO 129 CO 0.57 0.00 0.07 0.22 -0.21 0.00 0.00 178.00 178.66 2bnm h ASP 130 N 0.00 0.00 0.83 -2.05 3.58 -1.98 -1.92 116.42 114.88 2bnm h ASP 130 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2bnm h ASP 130 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2bnm h ASP 130 CO -0.00 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.83 2bnm n ASP 131 N -4.18 0.04 -4.68 2.28 8.00 0.11 -4.82 116.55 113.30 2bnm n ASP 131 Ca -0.01 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 2bnm n ASP 131 Cb 0.18 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 2bnm n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bnm s ALA 132 N -3.01 3.69 -0.27 2.24 0.00 -0.72 -4.95 121.76 118.74 2bnm s ALA 132 Ca 0.11 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 2bnm s ALA 132 Cb 0.15 -3.79 0.04 0.00 0.00 0.00 0.00 23.12 19.52 2bnm s ALA 132 CO 0.43 -1.35 -0.04 0.21 0.00 0.00 0.00 175.76 175.01 2bnm s LYS 133 N 3.38 2.65 0.22 0.00 2.20 -1.26 -5.02 119.74 121.91 2bnm s LYS 133 Ca 0.83 -1.10 -0.31 0.00 -0.36 0.00 0.00 55.97 55.03 2bnm s LYS 133 Cb -0.44 -3.05 -0.10 0.00 -1.51 0.00 0.00 37.83 32.73 2bnm s LYS 133 CO 0.38 -0.49 1.55 -0.06 -0.36 0.00 0.00 175.35 176.37 2bnm s PHE 134 N 1.29 2.98 0.28 4.03 0.40 -1.26 -4.70 117.98 120.99 2bnm s PHE 134 Ca -0.02 0.74 -0.05 0.00 -0.60 0.00 0.00 56.93 57.00 2bnm s PHE 134 Cb -0.18 -3.94 0.06 0.00 0.51 0.00 0.00 43.02 39.47 2bnm s PHE 134 CO -0.03 -3.32 0.36 0.27 0.70 0.00 0.00 175.22 173.20 2bnm n ASN 135 N 3.17 -0.11 -0.96 1.36 0.23 -0.94 -4.95 115.26 113.08 2bnm n ASN 135 Ca 0.11 -1.09 0.08 0.00 -0.53 0.00 0.00 54.58 53.15 2bnm n ASN 135 Cb 0.38 -0.28 0.24 0.00 -2.08 0.00 0.00 39.78 38.04 2bnm n ASN 135 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2bnm n SER 136 N -3.27 3.65 0.00 0.53 3.41 -1.26 -4.31 113.62 112.37 2bnm n SER 136 Ca 0.05 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 2bnm n SER 136 Cb 0.16 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2bnm n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bnm n GLY 137 N 0.43 0.97 3.90 5.00 0.00 -1.26 -4.54 105.19 109.69 2bnm n GLY 137 Ca 0.18 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2bnm n GLY 137 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bnm s HIS 138 N -2.29 3.51 0.31 1.61 3.76 -1.26 -4.68 115.29 116.25 2bnm s HIS 138 Ca 0.00 0.78 0.18 0.00 -0.15 0.00 0.00 55.06 55.87 2bnm s HIS 138 Cb 0.00 -2.24 0.86 0.00 1.11 0.00 0.00 32.58 32.31 2bnm s HIS 138 CO 0.00 -0.08 1.85 0.00 -0.85 0.00 0.00 174.74 175.66 2bnm h ALA 139 N 0.92 1.22 -1.29 -1.40 0.00 -1.96 0.40 119.26 117.15 2bnm h ALA 139 Ca -0.47 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 53.55 2bnm h ALA 139 Cb 1.20 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2bnm h ALA 139 CO 0.63 0.40 -0.53 0.20 0.00 0.00 0.00 179.25 179.95 2bnm s GLY 140 N -4.30 2.68 0.76 0.00 0.00 -1.26 -4.76 107.32 100.43 2bnm s GLY 140 Ca -0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 2bnm s GLY 140 CO 0.68 -1.96 1.09 -1.31 0.00 0.00 0.00 173.10 171.60 2bnm s ASN 141 N -3.68 4.88 -0.02 1.64 0.01 -1.04 -3.77 114.94 112.96 2bnm s ASN 141 Ca 0.20 1.32 -0.02 0.00 -0.71 0.00 0.00 52.86 53.65 2bnm s ASN 141 Cb 0.03 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.60 2bnm s ASN 141 CO 0.11 -1.72 0.06 -0.70 -1.51 0.00 0.00 177.10 173.34 2bnm s GLU 142 N -5.18 0.07 -0.13 -0.60 2.12 -0.44 -1.39 118.70 113.15 2bnm s GLU 142 Ca 0.60 0.10 -0.01 0.00 0.36 0.00 0.00 54.97 56.02 2bnm s GLU 142 Cb -0.14 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.25 2bnm s GLU 142 CO 0.54 -0.02 -0.10 0.12 -0.54 0.00 0.00 175.26 175.26 2bnm s PHE 143 N 0.14 2.88 0.11 5.30 5.36 -0.15 -0.76 117.98 130.86 2bnm s PHE 143 Ca -0.01 -0.45 0.09 0.00 -0.96 0.00 0.00 56.93 55.60 2bnm s PHE 143 Cb -0.02 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 2bnm s PHE 143 CO -0.00 -0.09 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.94 2bnm s LEU 144 N 0.19 2.30 -0.11 6.12 1.43 0.82 -0.26 118.68 129.17 2bnm s LEU 144 Ca -0.06 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 2bnm s LEU 144 Cb -0.15 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.17 2bnm s LEU 144 CO 0.04 0.08 0.24 0.12 0.23 0.00 0.00 176.35 177.07 2bnm s PHE 145 N -1.14 -0.34 -0.29 0.29 5.36 -0.31 -0.94 117.98 120.61 2bnm s PHE 145 Ca 0.08 0.81 -0.23 0.00 -0.96 0.00 0.00 56.93 56.63 2bnm s PHE 145 Cb -0.10 0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.58 2bnm s PHE 145 CO 0.05 -0.26 0.75 0.08 -1.46 0.00 0.00 175.22 174.38 2bnm s VAL 146 N 1.60 4.84 -0.07 3.12 1.01 -0.51 -0.83 120.40 129.57 2bnm s VAL 146 Ca -0.06 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 2bnm s VAL 146 Cb -0.11 -4.09 -0.29 0.00 0.00 0.00 0.00 36.38 31.89 2bnm s VAL 146 CO -0.08 -0.17 0.57 -0.07 0.00 0.00 0.00 175.10 175.35 2bnm h LEU 147 N 9.30 0.53 -7.54 3.92 3.38 -1.17 0.50 115.31 124.24 2bnm h LEU 147 Ca -0.25 -0.91 -0.15 0.00 0.09 0.00 0.00 57.88 56.66 2bnm h LEU 147 Cb 1.10 -0.17 -0.23 0.00 0.09 0.00 0.00 40.66 41.45 2bnm h LEU 147 CO 0.86 1.79 -0.39 -1.61 0.09 0.00 0.00 178.44 179.17 2bnm s GLU 148 N -2.57 0.43 2.09 1.13 2.02 -0.85 -4.81 118.70 116.14 2bnm s GLU 148 Ca -0.18 0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.88 2bnm s GLU 148 Cb 0.06 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2bnm s GLU 148 CO 0.82 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.43 2bnm n GLY 149 N 2.21 -1.21 2.97 -1.39 0.00 -1.26 -1.04 105.19 105.47 2bnm n GLY 149 Ca -0.17 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 2bnm n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bnm s GLU 150 N 0.00 0.86 -0.09 1.61 2.12 -1.26 -2.33 118.70 119.61 2bnm s GLU 150 Ca 0.00 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.07 2bnm s GLU 150 Cb 0.00 -0.82 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 2bnm s GLU 150 CO 0.00 0.06 0.00 0.42 -0.54 0.00 0.00 175.26 175.21 2bnm s ILE 151 N 0.33 4.33 -0.41 -3.70 -1.09 0.10 -0.98 121.20 119.79 2bnm s ILE 151 Ca -0.05 -0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 2bnm s ILE 151 Cb -0.09 -2.83 0.05 0.00 -1.58 0.00 0.00 42.46 38.02 2bnm s ILE 151 CO 0.00 0.60 0.25 -2.28 -1.23 0.00 0.00 174.94 172.28 2bnm s HIS 152 N -0.81 3.28 -0.09 3.97 5.65 0.50 -0.12 115.29 127.67 2bnm s HIS 152 Ca 0.12 -1.19 -0.08 0.00 0.25 0.00 0.00 55.06 54.16 2bnm s HIS 152 Cb -0.11 -2.74 -0.04 0.00 -1.18 0.00 0.00 32.58 28.51 2bnm s HIS 152 CO 0.02 -0.75 0.19 1.41 -0.65 0.00 0.00 174.74 174.96 2bnm s MET 153 N 1.51 3.53 0.02 2.88 1.75 0.18 -1.98 119.30 127.19 2bnm s MET 153 Ca 0.03 -0.04 0.05 0.00 -1.25 0.00 0.00 55.69 54.47 2bnm s MET 153 Cb -0.21 -3.19 -0.02 0.00 2.84 0.00 0.00 34.83 34.25 2bnm s MET 153 CO 0.05 0.76 -0.14 0.15 -0.65 0.00 0.00 175.02 175.19 2bnm s LYS 154 N -1.09 1.02 0.16 4.11 1.02 0.34 -1.41 119.74 123.90 2bnm s LYS 154 Ca 0.17 -0.65 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 2bnm s LYS 154 Cb -0.13 -1.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.19 2bnm s LYS 154 CO 0.06 0.26 0.40 1.67 -0.92 0.00 0.00 175.35 176.82 2bnm s TRP 155 N -0.62 0.01 0.00 3.18 -2.14 0.36 -1.44 118.94 118.28 2bnm s TRP 155 Ca 0.03 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.43 2bnm s TRP 155 Cb -0.07 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 2bnm s TRP 155 CO 0.01 -0.77 0.00 0.41 -2.66 0.00 0.00 176.95 173.93 2bnm n GLY 156 N -0.25 0.98 3.60 3.67 0.00 0.27 -0.58 105.19 112.88 2bnm n GLY 156 Ca -0.11 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2bnm n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bnm s ASP 157 N -4.00 6.67 0.60 1.61 -1.08 -1.26 -4.27 116.67 114.94 2bnm s ASP 157 Ca 0.00 0.57 0.29 0.00 -0.52 0.00 0.00 52.55 52.89 2bnm s ASP 157 Cb 0.00 -2.46 1.54 0.00 -1.46 0.00 0.00 42.92 40.54 2bnm s ASP 157 CO 0.00 -0.84 1.95 0.07 0.52 0.00 0.00 175.17 176.87 2bnm h LYS 158 N 8.45 0.00 -0.01 4.34 2.10 -1.93 0.29 116.57 129.82 2bnm h LYS 158 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2bnm h LYS 158 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2bnm h LYS 158 CO 0.97 0.00 -0.32 -0.85 -2.00 0.00 0.00 179.45 177.25 2bnm n GLU 159 N -3.63 0.61 -2.70 0.07 0.28 -1.26 -4.43 120.64 109.57 2bnm n GLU 159 Ca 0.05 -0.36 -0.08 0.00 -0.16 0.00 0.00 57.16 56.61 2bnm n GLU 159 Cb 0.55 -1.49 0.08 0.00 1.43 0.00 0.00 31.44 32.01 2bnm n GLU 159 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2bnm n ASN 160 N -0.88 -0.61 -4.75 -1.84 4.13 0.83 -5.16 115.26 106.98 2bnm n ASN 160 Ca 0.10 -2.63 -0.34 0.00 1.68 0.00 0.00 54.58 53.40 2bnm n ASN 160 Cb 0.34 0.44 0.06 0.00 -1.54 0.00 0.00 39.78 39.08 2bnm n ASN 160 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2bnm s PRO 161 N -1.10 2.67 0.28 3.52 0.04 -0.02 -4.46 135.00 135.92 2bnm s PRO 161 Ca 0.24 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 2bnm s PRO 161 Cb 0.42 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.95 2bnm s PRO 161 CO -0.04 -1.39 0.84 0.15 0.04 0.00 0.00 177.00 176.60 2bnm s LYS 162 N -3.87 4.39 0.03 4.56 -0.14 0.25 -4.88 119.74 120.08 2bnm s LYS 162 Ca 0.71 1.08 0.01 0.00 -1.36 0.00 0.00 55.97 56.41 2bnm s LYS 162 Cb -0.25 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 2bnm s LYS 162 CO 0.40 0.31 -0.06 -1.21 -0.76 0.00 0.00 175.35 174.03 2bnm s GLU 163 N -2.13 0.43 -0.08 1.68 2.02 -1.26 -0.49 118.70 118.87 2bnm s GLU 163 Ca 0.48 -0.62 -0.24 0.00 0.02 0.00 0.00 54.97 54.61 2bnm s GLU 163 Cb -0.17 -0.17 0.05 0.00 0.10 0.00 0.00 34.13 33.95 2bnm s GLU 163 CO 0.22 0.02 0.55 0.00 0.02 0.00 0.00 175.26 176.07 2bnm s ALA 164 N -1.22 -1.42 -0.18 5.21 0.00 -0.50 -5.01 121.76 118.66 2bnm s ALA 164 Ca -0.10 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 2bnm s ALA 164 Cb -0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2bnm s ALA 164 CO -0.00 -0.32 0.29 -0.51 0.00 0.00 0.00 175.76 175.22 2bnm s LEU 165 N -0.89 4.22 -0.28 0.00 1.43 -1.26 -0.64 118.68 121.25 2bnm s LEU 165 Ca -0.09 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2bnm s LEU 165 Cb -0.02 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.89 2bnm s LEU 165 CO 0.06 0.08 -0.04 -0.76 0.23 0.00 0.00 176.35 175.92 2bnm s LEU 166 N 0.62 3.61 0.81 1.79 1.43 0.83 -4.97 118.68 122.80 2bnm s LEU 166 Ca 0.16 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 2bnm s LEU 166 Cb -0.13 -1.67 0.08 0.00 0.03 0.00 0.00 46.19 44.50 2bnm s LEU 166 CO 0.04 -0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 2bnm s PRO 167 N 1.25 1.97 0.03 1.29 0.04 -1.26 -0.72 135.00 137.59 2bnm s PRO 167 Ca -0.04 0.89 -0.37 0.00 0.04 0.00 0.00 61.00 61.52 2bnm s PRO 167 Cb -0.19 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 2bnm s PRO 167 CO -0.03 -1.76 1.46 2.41 0.04 0.00 0.00 177.00 179.12 2bnm n THR 168 N -3.57 0.08 0.00 1.26 -1.04 -0.98 -1.41 114.28 108.62 2bnm n THR 168 Ca 0.08 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2bnm n THR 168 Cb 0.55 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2bnm n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bnm n GLY 169 N 3.00 1.21 3.74 3.41 0.00 0.17 -5.00 105.19 111.71 2bnm n GLY 169 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2bnm n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bnm s ALA 170 N -2.29 2.33 0.14 4.61 0.00 -0.50 -4.75 121.76 121.29 2bnm s ALA 170 Ca 0.00 0.95 0.05 0.00 0.00 0.00 0.00 51.96 52.95 2bnm s ALA 170 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2bnm s ALA 170 CO 0.00 -1.55 -0.11 -1.54 0.00 0.00 0.00 175.76 172.56 2bnm s SER 171 N -1.84 1.82 -0.09 0.00 1.04 -1.26 -1.42 113.70 111.95 2bnm s SER 171 Ca 0.76 -0.94 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 2bnm s SER 171 Cb -0.30 -0.03 0.04 0.00 0.10 0.00 0.00 66.02 65.84 2bnm s SER 171 CO 0.40 -0.27 0.46 -0.32 0.98 0.00 0.00 173.24 174.49 2bnm s MET 172 N -3.37 0.71 -0.09 4.02 0.00 -0.12 -4.97 119.30 115.47 2bnm s MET 172 Ca 0.14 0.26 0.03 0.00 0.00 0.00 0.00 55.69 56.11 2bnm s MET 172 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 34.83 35.14 2bnm s MET 172 CO 0.01 -0.17 -0.17 0.12 0.00 0.00 0.00 175.02 174.82 2bnm s PHE 173 N -0.64 2.69 -0.17 4.11 5.36 -1.26 -0.13 117.98 127.94 2bnm s PHE 173 Ca -0.07 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.36 2bnm s PHE 173 Cb -0.03 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.95 2bnm s PHE 173 CO 0.04 -0.11 -0.17 0.08 -1.46 0.00 0.00 175.22 173.60 2bnm s VAL 174 N -0.08 1.85 0.60 3.12 1.01 0.06 -5.00 120.40 121.97 2bnm s VAL 174 Ca -0.03 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2bnm s VAL 174 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2bnm s VAL 174 CO 0.04 0.50 1.13 -0.70 0.00 0.00 0.00 175.10 176.07 2bnm s GLU 175 N 1.37 3.08 0.29 2.72 2.12 -1.26 -1.32 118.70 125.69 2bnm s GLU 175 Ca 0.05 1.53 -0.27 0.00 0.36 0.00 0.00 54.97 56.64 2bnm s GLU 175 Cb -0.13 -1.97 -0.15 0.00 0.26 0.00 0.00 34.13 32.14 2bnm s GLU 175 CO -0.12 -1.06 0.72 -0.85 -0.54 0.00 0.00 175.26 173.42 2bnm n GLU 176 N -1.81 0.69 -0.44 4.30 0.28 -1.25 -2.44 120.64 119.97 2bnm n GLU 176 Ca 0.11 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2bnm n GLU 176 Cb 0.51 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.93 2bnm n GLU 176 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2bnm n HIS 177 N -0.10 0.00 -2.56 -1.84 8.25 0.14 -4.89 115.22 114.23 2bnm n HIS 177 Ca 0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 2bnm n HIS 177 Cb 0.31 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 2bnm n HIS 177 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2bnm s VAL 178 N -2.76 4.40 0.42 1.59 1.01 -1.02 -4.38 120.40 119.65 2bnm s VAL 178 Ca 0.00 1.62 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 2bnm s VAL 178 Cb 0.00 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 2bnm s VAL 178 CO 0.00 -0.41 1.22 -2.84 0.00 0.00 0.00 175.10 173.08 2bnm s PRO 179 N 3.73 3.94 0.25 2.72 0.02 -1.26 -4.19 135.00 140.21 2bnm s PRO 179 Ca 0.49 1.96 -0.19 0.00 0.02 0.00 0.00 61.00 63.28 2bnm s PRO 179 Cb -0.15 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.74 2bnm s PRO 179 CO 0.16 -0.45 0.64 -3.38 -0.33 0.00 0.00 177.00 173.64 2bnm s HIS 180 N -1.37 -0.12 0.00 6.54 -3.43 -1.26 -0.56 115.29 115.10 2bnm s HIS 180 Ca 0.58 -0.29 -0.28 0.00 -0.80 0.00 0.00 55.06 54.28 2bnm s HIS 180 Cb -0.34 0.57 0.09 0.00 -1.43 0.00 0.00 32.58 31.47 2bnm s HIS 180 CO 0.42 -1.12 0.80 0.00 -2.00 0.00 0.00 174.74 172.84 2bnm s ALA 181 N -3.92 -1.78 0.06 -1.38 0.00 -0.52 -2.21 121.76 112.03 2bnm s ALA 181 Ca 0.12 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 2bnm s ALA 181 Cb -0.04 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.38 2bnm s ALA 181 CO 0.04 -0.60 0.28 -0.59 0.00 0.00 0.00 175.76 174.89 2bnm s PHE 182 N -2.66 -0.04 0.38 0.00 -0.12 -1.26 -0.50 117.98 113.78 2bnm s PHE 182 Ca 0.00 -0.20 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 2bnm s PHE 182 Cb -0.01 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.43 2bnm s PHE 182 CO -0.05 -0.53 0.21 0.99 -0.05 0.00 0.00 175.22 175.78 2bnm s THR 183 N -3.03 0.27 0.69 -4.49 2.01 -0.84 -4.83 115.64 105.43 2bnm s THR 183 Ca -0.02 -2.00 -0.13 0.00 0.31 0.00 0.00 61.69 59.85 2bnm s THR 183 Cb 0.01 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2bnm s THR 183 CO -0.06 0.00 1.08 0.00 -0.69 0.00 0.00 174.62 174.95 2bnm s ALA 184 N -3.29 2.50 0.56 7.40 0.00 -0.25 -0.37 121.76 128.30 2bnm s ALA 184 Ca 0.31 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2bnm s ALA 184 Cb 0.02 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2bnm s ALA 184 CO 0.21 -1.31 1.34 0.00 0.00 0.00 0.00 175.76 176.00 2bnm s ALA 185 N -2.65 2.76 -0.08 0.00 0.00 -0.15 -4.30 121.76 117.33 2bnm s ALA 185 Ca 0.63 1.31 -0.39 0.00 0.00 0.00 0.00 51.96 53.51 2bnm s ALA 185 Cb -0.17 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 2bnm s ALA 185 CO 0.47 -1.39 1.49 1.17 0.00 0.00 0.00 175.76 177.50 2bnm n LYS 186 N -1.15 1.03 -0.88 0.00 3.00 -1.25 -1.54 118.16 117.37 2bnm n LYS 186 Ca 0.11 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 2bnm n LYS 186 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 35.03 33.47 2bnm n LYS 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bnm n GLY 187 N 3.14 0.28 0.79 3.14 0.00 -0.87 -4.87 105.19 106.82 2bnm n GLY 187 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2bnm n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bnm n THR 188 N -2.24 0.34 -4.33 2.61 -2.24 -0.59 -5.03 114.28 102.80 2bnm n THR 188 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2bnm n THR 188 Cb 0.18 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2bnm n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bnm n GLY 189 N 1.27 0.37 3.93 3.38 0.00 -1.26 -4.91 105.19 107.98 2bnm n GLY 189 Ca 0.17 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 2bnm n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bnm s SER 190 N -4.00 5.22 0.26 1.61 1.04 -1.26 -4.47 113.70 112.09 2bnm s SER 190 Ca 0.00 0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.89 2bnm s SER 190 Cb 0.00 -1.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.78 2bnm s SER 190 CO 0.00 -1.29 0.26 0.00 0.98 0.00 0.00 173.24 173.20 2bnm s ALA 191 N -3.04 1.07 -0.08 5.32 0.00 -0.76 -4.61 121.76 119.66 2bnm s ALA 191 Ca 0.57 -1.64 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 2bnm s ALA 191 Cb -0.11 1.33 0.03 0.00 0.00 0.00 0.00 23.12 24.38 2bnm s ALA 191 CO 0.44 -0.67 0.20 0.21 0.00 0.00 0.00 175.76 175.93 2bnm s LYS 192 N -3.82 0.20 0.12 0.00 2.20 -0.20 -0.64 119.74 117.59 2bnm s LYS 192 Ca 0.36 0.35 0.01 0.00 -0.36 0.00 0.00 55.97 56.32 2bnm s LYS 192 Cb 0.04 0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 2bnm s LYS 192 CO 0.16 -0.08 -0.01 -0.48 -0.36 0.00 0.00 175.35 174.58 2bnm s LEU 193 N 0.57 2.24 -0.14 5.43 0.05 -0.54 -0.56 118.68 125.73 2bnm s LEU 193 Ca -0.04 -1.09 -0.05 0.00 0.05 0.00 0.00 54.13 53.00 2bnm s LEU 193 Cb -0.05 0.07 -0.04 0.00 -2.05 0.00 0.00 46.19 44.12 2bnm s LEU 193 CO -0.03 -0.58 0.05 -0.63 -0.55 0.00 0.00 176.35 174.61 2bnm s ILE 194 N -3.79 4.67 -0.11 1.48 1.01 -0.01 -0.14 121.20 124.31 2bnm s ILE 194 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2bnm s ILE 194 Cb 0.07 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.51 2bnm s ILE 194 CO -0.02 0.54 -0.17 0.00 0.00 0.00 0.00 174.94 175.29 2bnm s ALA 195 N -0.27 1.78 -0.31 9.38 0.00 0.04 -1.16 121.76 131.20 2bnm s ALA 195 Ca 0.08 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2bnm s ALA 195 Cb -0.12 -0.81 0.09 0.00 0.00 0.00 0.00 23.12 22.27 2bnm s ALA 195 CO 0.02 0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.87 2bnm s VAL 196 N 0.83 2.14 0.24 0.00 1.01 0.64 -0.03 120.40 125.23 2bnm s VAL 196 Ca -0.10 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 59.52 2bnm s VAL 196 Cb -0.16 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 2bnm s VAL 196 CO 0.01 -0.43 0.98 0.20 0.00 0.00 0.00 175.10 175.86 2bnm s ASN 197 N 1.01 7.54 0.00 3.32 -0.87 -0.71 -0.98 114.94 124.26 2bnm s ASN 197 Ca 0.05 2.02 0.00 0.00 -1.57 0.00 0.00 52.86 53.36 2bnm s ASN 197 Cb -0.19 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.43 2bnm s ASN 197 CO -0.08 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.74