#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnm h THR 6 N 0.00 0.58 -0.02 -0.18 1.03 -2.02 0.39 112.91 112.69 2bnm h THR 6 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2bnm h THR 6 Cb 0.00 0.58 -0.00 0.00 -1.07 0.00 0.00 68.15 67.66 2bnm h THR 6 CO 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 175.52 175.52 2bnm h ALA 7 N 1.36 0.02 -0.34 0.00 0.00 -2.00 0.26 119.26 118.56 2bnm h ALA 7 Ca 0.19 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2bnm h ALA 7 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bnm h ALA 7 CO -0.41 -0.38 -0.33 0.66 0.00 0.00 0.00 179.25 178.79 2bnm h SER 8 N -0.17 0.79 -0.31 0.00 4.64 -1.84 0.53 113.55 117.19 2bnm h SER 8 Ca 0.01 -0.33 -0.12 0.00 -0.47 0.00 0.00 61.79 60.88 2bnm h SER 8 Cb 0.20 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2bnm h SER 8 CO -0.00 1.05 -0.26 0.74 -0.87 0.00 0.00 176.83 177.49 2bnm h THR 9 N 0.63 1.30 -0.34 2.95 2.02 -0.20 0.18 112.91 119.45 2bnm h THR 9 Ca 0.07 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 2bnm h THR 9 Cb 0.86 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2bnm h THR 9 CO 0.08 0.46 -0.00 1.23 0.37 0.00 0.00 175.52 177.65 2bnm h GLY 10 N 0.47 0.66 0.60 2.16 0.00 -0.87 -2.31 103.07 103.78 2bnm h GLY 10 Ca 0.05 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 46.95 2bnm h GLY 10 CO 0.07 0.45 0.09 -2.75 0.00 0.00 0.00 176.54 174.39 2bnm h PHE 11 N 0.42 0.15 -0.57 5.60 3.57 -0.88 -0.72 116.94 124.51 2bnm h PHE 11 Ca 0.10 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.72 2bnm h PHE 11 Cb 0.46 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 2bnm h PHE 11 CO 0.04 0.04 0.12 0.00 -2.23 0.00 0.00 178.31 176.27 2bnm h ALA 12 N 1.26 0.66 -0.30 2.41 0.00 -0.76 0.15 119.26 122.68 2bnm h ALA 12 Ca 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2bnm h ALA 12 Cb 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bnm h ALA 12 CO -0.21 -0.31 -0.05 0.93 0.00 0.00 0.00 179.25 179.61 2bnm h GLU 13 N 0.25 0.56 -0.02 0.00 5.08 -1.13 -2.68 114.58 116.65 2bnm h GLU 13 Ca 0.29 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 2bnm h GLU 13 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2bnm h GLU 13 CO -0.38 0.74 -0.80 -0.07 -1.00 0.00 0.00 179.01 177.50 2bnm h LEU 14 N 0.34 0.31 0.02 1.33 3.38 -0.73 -1.68 115.31 118.28 2bnm h LEU 14 Ca 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2bnm h LEU 14 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2bnm h LEU 14 CO 0.03 0.99 -0.01 0.25 0.09 0.00 0.00 178.44 179.78 2bnm h LEU 15 N 0.15 -0.03 -0.06 1.67 5.85 -0.76 -0.69 115.31 121.45 2bnm h LEU 15 Ca -0.04 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2bnm h LEU 15 Cb 1.39 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2bnm h LEU 15 CO 0.13 0.07 -0.06 0.50 -0.34 0.00 0.00 178.44 178.74 2bnm h LYS 16 N -0.13 -0.08 -0.43 1.25 3.64 -1.37 0.18 116.57 119.63 2bnm h LYS 16 Ca -0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2bnm h LYS 16 Cb 0.11 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2bnm h LYS 16 CO 0.01 -0.05 0.09 -0.44 -2.27 0.00 0.00 179.45 176.78 2bnm h ASP 17 N -0.08 0.01 -0.34 4.20 3.32 -1.20 -1.27 116.42 121.07 2bnm h ASP 17 Ca 0.05 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 2bnm h ASP 17 Cb 0.14 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2bnm h ASP 17 CO -0.11 0.04 -0.39 -0.09 -1.72 0.00 0.00 179.24 176.97 2bnm h ARG 18 N 0.22 0.86 -0.64 3.56 9.65 -0.79 -0.22 114.38 127.02 2bnm h ARG 18 Ca 0.21 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.63 2bnm h ARG 18 Cb 0.26 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 2bnm h ARG 18 CO -0.27 1.11 0.42 -0.09 2.80 0.00 0.00 179.97 183.94 2bnm h ARG 19 N 0.65 0.83 -0.54 0.20 2.43 -0.70 -1.86 114.38 115.39 2bnm h ARG 19 Ca 0.05 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2bnm h ARG 19 Cb 0.98 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2bnm h ARG 19 CO 0.09 0.55 -0.03 0.93 -1.51 0.00 0.00 179.97 180.00 2bnm h GLU 20 N 0.85 0.94 -0.75 0.20 5.08 -1.11 -1.80 114.58 117.99 2bnm h GLU 20 Ca 0.24 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2bnm h GLU 20 Cb -0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2bnm h GLU 20 CO -0.06 0.95 0.50 1.96 -1.00 0.00 0.00 179.01 181.36 2bnm h GLN 21 N 0.86 0.91 -0.65 2.33 4.20 -0.46 -2.23 115.11 120.07 2bnm h GLN 21 Ca 0.15 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2bnm h GLN 21 Cb 0.55 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2bnm h GLN 21 CO 0.03 0.61 0.07 1.33 -0.67 0.00 0.00 178.83 180.19 2bnm n VAL 22 N -4.45 2.67 -3.81 -0.54 0.24 -0.75 -4.95 118.33 106.74 2bnm n VAL 22 Ca 0.09 -1.37 -0.27 0.00 -2.04 0.00 0.00 64.34 60.75 2bnm n VAL 22 Cb 0.10 -0.32 0.04 0.00 -1.47 0.00 0.00 33.84 32.19 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 0.41 -5.73 -4.52 7.34 4.76 -0.84 -5.00 118.16 114.58 2bnm n LYS 23 Ca 0.30 0.64 -0.34 0.00 -2.87 0.00 0.00 58.31 56.04 2bnm n LYS 23 Cb 1.20 -5.47 -0.11 0.00 -1.84 0.00 0.00 35.03 28.80 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 -6.38 3.06 0.72 1.97 -1.94 -0.69 -5.05 119.30 110.98 2bnm s MET 24 Ca 0.47 -0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 53.92 2bnm s MET 24 Cb -0.23 -2.72 0.12 0.00 2.01 0.00 0.00 34.83 34.01 2bnm s MET 24 CO 0.81 0.55 1.00 0.16 -0.01 0.00 0.00 175.02 177.52 2bnm s ASP 25 N -0.48 4.36 0.20 3.03 1.47 -1.26 -4.30 116.67 119.69 2bnm s ASP 25 Ca 0.08 -0.29 -0.10 0.00 1.18 0.00 0.00 52.55 53.41 2bnm s ASP 25 Cb -0.12 -0.11 0.23 0.00 -0.34 0.00 0.00 42.92 42.58 2bnm s ASP 25 CO 0.02 -1.85 1.79 0.45 0.68 0.00 0.00 175.17 176.26 2bnm h HIS 26 N -0.54 0.58 -0.75 2.11 3.86 -1.98 -2.32 115.15 116.10 2bnm h HIS 26 Ca -0.37 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2bnm h HIS 26 Cb 1.27 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.54 2bnm h HIS 26 CO -0.19 0.25 0.48 0.00 0.86 0.00 0.00 177.93 179.33 2bnm h ALA 27 N 1.35 0.95 0.03 2.45 0.00 -1.94 0.92 119.26 123.02 2bnm h ALA 27 Ca 0.28 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2bnm h ALA 27 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2bnm h ALA 27 CO -0.20 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.37 2bnm h ALA 28 N 1.26 -0.10 -0.27 0.00 0.00 -1.81 -0.89 119.26 117.44 2bnm h ALA 28 Ca 0.27 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2bnm h ALA 28 Cb -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bnm h ALA 28 CO -0.06 -0.58 0.03 1.25 0.00 0.00 0.00 179.25 179.89 2bnm h LEU 29 N -0.14 0.44 -0.52 0.00 5.85 -1.28 -2.90 115.31 116.75 2bnm h LEU 29 Ca 0.02 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.56 2bnm h LEU 29 Cb 0.16 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2bnm h LEU 29 CO -0.06 0.61 0.04 0.00 -0.34 0.00 0.00 178.44 178.70 2bnm h ALA 30 N 0.84 0.54 -0.44 1.25 0.00 -0.72 -2.08 119.26 118.65 2bnm h ALA 30 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2bnm h ALA 30 Cb 0.37 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2bnm h ALA 30 CO 0.01 -0.36 0.21 0.77 0.00 0.00 0.00 179.25 179.88 2bnm h SER 31 N 0.17 0.30 0.09 0.00 0.02 -1.09 0.53 113.55 113.57 2bnm h SER 31 Ca 0.27 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2bnm h SER 31 Cb 0.39 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2bnm h SER 31 CO -0.40 0.22 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.36 2bnm h LEU 32 N 0.43 0.00 -0.16 5.07 3.38 -1.19 -1.92 115.31 120.91 2bnm h LEU 32 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bnm h LEU 32 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2bnm h LEU 32 CO -0.14 0.07 -0.68 0.18 0.09 0.00 0.00 178.44 177.97 2bnm n LEU 33 N -4.30 0.93 -1.60 1.67 4.77 -0.73 -4.97 117.00 112.78 2bnm n LEU 33 Ca -0.03 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.51 2bnm n LEU 33 Cb 0.16 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2bnm n LEU 33 CO 0.34 0.21 -0.08 0.61 -1.33 0.00 0.00 177.39 177.13 2bnm n GLY 34 N 1.47 -0.08 3.75 -0.72 0.00 -0.02 -5.04 105.19 104.55 2bnm n GLY 34 Ca 0.06 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.88 2.16 0.44 1.61 0.41 -0.04 -5.02 118.70 113.37 2bnm s GLU 35 Ca 0.08 -2.23 -0.04 0.00 -0.41 0.00 0.00 54.97 52.36 2bnm s GLU 35 Cb -0.04 -1.68 -0.04 0.00 -1.78 0.00 0.00 34.13 30.60 2bnm s GLU 35 CO 0.10 -0.31 0.72 0.95 -0.49 0.00 0.00 175.26 176.24 2bnm s THR 36 N -2.80 4.95 0.45 3.63 -4.23 -1.26 -4.17 115.64 112.21 2bnm s THR 36 Ca 0.19 0.08 0.11 0.00 -1.18 0.00 0.00 61.69 60.89 2bnm s THR 36 Cb 0.03 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.29 2bnm s THR 36 CO 0.10 -0.75 2.09 -0.65 -0.54 0.00 0.00 174.62 174.88 2bnm h PRO 37 N 0.46 0.33 -0.53 3.99 0.11 -1.90 -2.31 132.00 132.16 2bnm h PRO 37 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2bnm h PRO 37 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2bnm h PRO 37 CO 0.62 0.22 0.03 1.05 -0.21 0.00 0.00 178.00 179.71 2bnm h GLU 38 N 0.34 0.87 -0.46 1.05 4.11 -1.93 -0.47 114.58 118.08 2bnm h GLU 38 Ca 0.10 -0.23 0.01 0.00 0.07 0.00 0.00 59.36 59.31 2bnm h GLU 38 Cb -0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2bnm h GLU 38 CO -0.02 0.85 0.29 1.15 0.07 0.00 0.00 179.01 181.35 2bnm h THR 39 N 0.81 1.09 -0.52 -1.06 2.02 -1.81 -0.05 112.91 113.39 2bnm h THR 39 Ca 0.16 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 2bnm h THR 39 Cb 0.44 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2bnm h THR 39 CO 0.02 0.11 0.16 0.58 0.37 0.00 0.00 175.52 176.75 2bnm h VAL 40 N 0.59 1.23 -0.80 3.16 2.07 -1.26 -1.84 116.25 119.40 2bnm h VAL 40 Ca 0.18 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2bnm h VAL 40 Cb -0.03 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2bnm h VAL 40 CO -0.06 0.29 0.49 0.00 0.02 0.00 0.00 177.57 178.31 2bnm h ALA 41 N 1.02 1.08 -0.57 1.67 0.00 -0.87 -1.85 119.26 119.74 2bnm h ALA 41 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2bnm h ALA 41 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bnm h ALA 41 CO -0.00 0.25 0.23 0.00 0.00 0.00 0.00 179.25 179.72 2bnm h ALA 42 N 1.37 0.73 -0.77 0.00 0.00 -0.64 -1.08 119.26 118.87 2bnm h ALA 42 Ca 0.34 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2bnm h ALA 42 Cb 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2bnm h ALA 42 CO -0.15 0.34 0.47 -1.49 0.00 0.00 0.00 179.25 178.42 2bnm h TRP 43 N 0.77 0.87 0.00 0.00 6.55 -0.79 -0.88 115.95 122.48 2bnm h TRP 43 Ca 0.19 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.05 2bnm h TRP 43 Cb 0.20 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 2bnm h TRP 43 CO 0.01 0.46 0.00 0.39 -1.05 0.00 0.00 178.44 178.25 2bnm n GLU 44 N -4.66 0.10 -0.42 0.49 1.02 -0.75 -2.02 120.64 114.39 2bnm n GLU 44 Ca 0.10 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.48 2bnm n GLU 44 Cb 0.14 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.43 4.08 0.00 1.62 3.02 -0.46 -4.73 115.26 117.35 2bnm n ASN 45 Ca 0.07 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 2bnm n ASN 45 Cb 0.22 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 1.56 0.86 2.07 7.41 0.00 -0.86 -4.98 105.19 111.24 2bnm n GLY 46 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.20 2.94 -0.25 1.61 1.02 -0.47 -4.42 120.64 118.87 2bnm n GLU 47 Ca 0.00 -2.89 0.09 0.00 -0.02 0.00 0.00 57.16 54.34 2bnm n GLU 47 Cb 0.00 -2.15 0.25 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.57 1.48 0.25 0.62 0.00 -1.26 -4.61 105.19 101.11 2bnm n GLY 48 Ca 0.48 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 4.80 0.00 -1.69 -0.02 0.00 -1.91 -1.95 103.07 102.29 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 -3.86 2.20 -1.76 4.80 -0.58 -1.26 -4.92 120.64 115.25 2bnm n GLU 50 Ca -0.02 -1.79 -0.42 0.00 -0.42 0.00 0.00 57.16 54.51 2bnm n GLU 50 Cb 0.23 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.62 4.35 0.66 -4.62 1.43 -0.74 -4.98 118.68 113.17 2bnm s LEU 51 Ca 0.35 2.91 -0.10 0.00 -1.03 0.00 0.00 54.13 56.26 2bnm s LEU 51 Cb 0.21 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2bnm s LEU 51 CO 0.30 -0.93 1.04 0.42 0.23 0.00 0.00 176.35 177.40 2bnm s THR 52 N 0.50 3.74 0.23 5.49 -4.23 -1.26 -4.85 115.64 115.26 2bnm s THR 52 Ca 0.68 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.56 2bnm s THR 52 Cb -0.48 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.01 2bnm s THR 52 CO 0.41 -0.67 1.74 0.25 -0.54 0.00 0.00 174.62 175.81 2bnm h LEU 53 N -0.48 0.31 -0.45 4.79 5.85 -1.99 0.94 115.31 124.29 2bnm h LEU 53 Ca -0.45 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2bnm h LEU 53 Cb 1.24 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2bnm h LEU 53 CO 0.63 0.14 0.10 0.74 -0.34 0.00 0.00 178.44 179.72 2bnm h THR 54 N 0.47 1.24 -0.78 1.05 2.02 -1.99 -0.59 112.91 114.33 2bnm h THR 54 Ca 0.38 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 2bnm h THR 54 Cb 0.53 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2bnm h THR 54 CO -0.36 0.29 0.32 1.56 0.37 0.00 0.00 175.52 177.71 2bnm h GLN 55 N 0.60 1.16 -0.85 6.66 4.20 -1.77 -2.08 115.11 123.03 2bnm h GLN 55 Ca 0.14 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2bnm h GLN 55 Cb 0.33 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2bnm h GLN 55 CO 0.00 0.93 0.43 -0.07 -0.67 0.00 0.00 178.83 179.46 2bnm h LEU 56 N 1.13 1.09 -1.08 1.46 3.38 -0.58 -1.36 115.31 119.35 2bnm h LEU 56 Ca 0.26 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.17 2bnm h LEU 56 Cb 0.20 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2bnm h LEU 56 CO -0.02 0.90 0.62 1.23 0.09 0.00 0.00 178.44 181.26 2bnm h GLY 57 N 1.21 1.40 1.47 0.83 0.00 -0.57 -0.09 103.07 107.33 2bnm h GLY 57 Ca 0.30 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 2bnm h GLY 57 CO -0.04 0.34 -0.72 3.21 0.00 0.00 0.00 176.54 179.33 2bnm h ARG 58 N 1.12 0.53 -0.28 4.80 3.08 -0.71 -0.39 114.38 122.54 2bnm h ARG 58 Ca 0.40 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2bnm h ARG 58 Cb 0.14 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2bnm h ARG 58 CO -0.15 1.05 0.02 0.82 -1.07 0.00 0.00 179.97 180.64 2bnm h ILE 59 N 0.36 1.25 -0.66 2.04 2.04 -0.85 -1.40 117.51 120.29 2bnm h ILE 59 Ca -0.03 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 64.98 2bnm h ILE 59 Cb 1.31 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 2bnm h ILE 59 CO 0.13 0.28 0.43 0.00 0.00 0.00 0.00 178.15 178.99 2bnm h ALA 60 N 0.84 0.85 0.02 1.87 0.00 -0.94 -1.91 119.26 119.99 2bnm h ALA 60 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2bnm h ALA 60 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bnm h ALA 60 CO 0.01 0.22 -0.10 1.25 0.00 0.00 0.00 179.25 180.63 2bnm h HIS 61 N 0.85 -0.26 0.00 0.00 -0.00 -0.71 -0.33 115.15 114.70 2bnm h HIS 61 Ca 0.26 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 2bnm h HIS 61 Cb -0.04 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2bnm h HIS 61 CO -0.04 -0.16 -0.22 -0.39 -0.00 0.00 0.00 177.93 177.13 2bnm h VAL 62 N -0.19 0.93 -0.14 5.26 -1.51 -1.07 -1.07 116.25 118.46 2bnm h VAL 62 Ca 0.03 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 2bnm h VAL 62 Cb 0.22 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2bnm h VAL 62 CO -0.09 0.21 0.00 0.18 -1.23 0.00 0.00 177.57 176.64 2bnm n LEU 63 N -3.95 1.21 -2.85 4.19 4.77 -0.73 -4.93 117.00 114.70 2bnm n LEU 63 Ca -0.02 -0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 55.22 2bnm n LEU 63 Cb 0.30 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2bnm n LEU 63 CO 0.35 0.26 -0.01 0.61 -1.33 0.00 0.00 177.39 177.26 2bnm n GLY 64 N 1.00 -0.47 0.00 -0.72 0.00 -0.40 -4.95 105.19 99.65 2bnm n GLY 64 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.45 0.00 -3.99 2.61 5.66 -0.26 -5.03 114.28 108.83 2bnm n THR 65 Ca -0.12 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.67 2bnm n THR 65 Cb 0.62 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.36 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 0.01 5.41 0.34 1.09 1.04 -1.26 -4.19 113.70 116.14 2bnm s SER 66 Ca 0.00 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2bnm s SER 66 Cb 0.00 -1.21 0.58 0.00 0.10 0.00 0.00 66.02 65.49 2bnm s SER 66 CO 0.00 -0.17 1.99 0.40 0.98 0.00 0.00 173.24 176.44 2bnm h ILE 67 N 1.39 1.18 -0.93 -1.02 2.04 -1.93 -2.27 117.51 115.97 2bnm h ILE 67 Ca -0.47 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.14 2bnm h ILE 67 Cb 1.25 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2bnm h ILE 67 CO 0.60 0.17 0.57 1.23 0.00 0.00 0.00 178.15 180.72 2bnm h GLY 68 N 0.93 1.46 2.00 5.37 0.00 -1.95 0.36 103.07 111.23 2bnm h GLY 68 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2bnm h GLY 68 CO -0.05 0.21 -0.05 0.00 0.00 0.00 0.00 176.54 176.64 2bnm h ALA 69 N 1.47 1.07 -0.23 3.60 0.00 -1.81 -2.61 119.26 120.75 2bnm h ALA 69 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2bnm h ALA 69 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2bnm h ALA 69 CO -0.23 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.37 2bnm n LEU 70 N -3.25 3.25 -4.29 0.00 4.77 0.06 -4.91 117.00 112.62 2bnm n LEU 70 Ca -0.01 -1.28 -0.22 0.00 -0.03 0.00 0.00 56.01 54.47 2bnm n LEU 70 Cb 0.25 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 2bnm n LEU 70 CO 0.27 0.64 -0.49 0.42 -1.33 0.00 0.00 177.39 176.90 2bnm s THR 71 N -1.69 1.68 0.77 -5.08 -4.23 -0.84 -3.99 115.64 102.25 2bnm s THR 71 Ca 0.34 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 2bnm s THR 71 Cb 0.21 -1.65 0.05 0.00 1.34 0.00 0.00 72.50 72.45 2bnm s THR 71 CO 0.31 -0.23 1.08 -2.16 -0.54 0.00 0.00 174.62 173.08 2bnm s PRO 72 N -2.39 2.30 1.18 3.99 0.04 -1.26 -4.89 135.00 133.97 2bnm s PRO 72 Ca 0.10 0.96 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 2bnm s PRO 72 Cb -0.07 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.83 2bnm s PRO 72 CO 0.05 -1.56 1.05 -1.25 0.04 0.00 0.00 177.00 175.33 2bnm s PRO 73 N -4.99 -1.06 0.42 0.56 0.04 -1.26 -4.91 135.00 123.80 2bnm s PRO 73 Ca 0.60 0.33 0.14 0.00 0.04 0.00 0.00 61.00 62.11 2bnm s PRO 73 Cb -0.16 -1.58 1.01 0.00 0.04 0.00 0.00 34.50 33.81 2bnm s PRO 73 CO 0.56 -3.69 1.95 0.00 0.04 0.00 0.00 177.00 175.85 2bnm h ALA 74 N -2.58 2.03 0.00 8.56 0.00 -1.96 -3.48 119.26 121.83 2bnm h ALA 74 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2bnm h ALA 74 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bnm h ALA 74 CO 0.44 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2bnm n GLY 75 N -1.51 1.91 3.20 0.00 0.00 -1.26 -5.00 105.19 102.53 2bnm n GLY 75 Ca 0.12 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 3.80 -0.11 1.61 3.84 -1.26 -3.94 114.94 118.88 2bnm s ASN 76 Ca 0.00 -0.64 0.15 0.00 0.21 0.00 0.00 52.86 52.58 2bnm s ASN 76 Cb 0.00 -1.60 0.29 0.00 -0.55 0.00 0.00 41.25 39.39 2bnm s ASN 76 CO 0.00 -0.04 1.18 -0.90 -2.79 0.00 0.00 177.10 174.55 2bnm n ASP 77 N 4.68 2.61 -4.90 -4.21 5.68 -1.26 -5.04 116.55 114.10 2bnm n ASP 77 Ca -0.19 -2.86 -0.28 0.00 -0.50 0.00 0.00 54.79 50.96 2bnm n ASP 77 Cb 0.49 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 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 -2.49 3.95 -0.55 -2.12 1.43 -1.26 -4.87 118.68 112.77 2bnm s LEU 78 Ca 0.29 0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 54.11 2bnm s LEU 78 Cb 0.24 -3.66 0.14 0.00 0.03 0.00 0.00 46.19 42.95 2bnm s LEU 78 CO 0.04 -0.30 0.42 -0.62 0.23 0.00 0.00 176.35 176.12 2bnm s ASP 79 N -3.36 5.75 -1.50 2.29 2.15 0.60 -4.57 116.67 118.02 2bnm s ASP 79 Ca 0.46 -2.21 -0.06 0.00 0.43 0.00 0.00 52.55 51.16 2bnm s ASP 79 Cb -0.10 -2.00 0.05 0.00 -0.30 0.00 0.00 42.92 40.56 2bnm s ASP 79 CO 0.33 -0.61 0.55 0.47 -0.17 0.00 0.00 175.17 175.74 2bnm n ASP 80 N 4.49 -1.43 0.00 -0.34 9.92 -1.26 -2.18 116.55 125.75 2bnm n ASP 80 Ca -0.02 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 2bnm n ASP 80 Cb 0.41 -3.00 0.00 0.00 -0.64 0.00 0.00 41.12 37.89 2bnm n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bnm n GLY 81 N -1.81 0.73 3.18 0.44 0.00 -1.26 -5.05 105.19 101.42 2bnm n GLY 81 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2bnm n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnm s VAL 82 N -2.73 1.32 -0.01 1.61 1.01 -0.93 -5.03 120.40 115.65 2bnm s VAL 82 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2bnm s VAL 82 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2bnm s VAL 82 CO 0.00 0.08 -0.10 -0.51 0.00 0.00 0.00 175.10 174.57 2bnm s ILE 83 N -0.83 0.80 0.12 2.22 2.07 -1.26 -0.29 121.20 124.02 2bnm s ILE 83 Ca 0.04 -0.42 0.08 0.00 -1.41 0.00 0.00 60.65 58.94 2bnm s ILE 83 Cb -0.08 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 2bnm s ILE 83 CO 0.01 0.23 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.44 2bnm s ILE 84 N -0.19 1.73 -0.06 2.00 1.01 -1.26 -5.02 121.20 119.41 2bnm s ILE 84 Ca 0.03 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.03 2bnm s ILE 84 Cb -0.04 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2bnm s ILE 84 CO -0.00 -0.14 -0.06 -1.58 0.00 0.00 0.00 174.94 173.16 2bnm s GLN 85 N -2.18 1.06 0.43 2.79 0.74 -1.26 -5.04 119.66 116.21 2bnm s GLN 85 Ca 0.09 -0.16 -0.16 0.00 0.05 0.00 0.00 55.36 55.18 2bnm s GLN 85 Cb -0.09 -1.07 -0.09 0.00 1.10 0.00 0.00 33.01 32.87 2bnm s GLN 85 CO 0.05 -0.11 0.89 -1.64 -0.55 0.00 0.00 175.29 173.92 2bnm s MET 86 N 1.12 4.01 0.51 1.67 -1.94 -1.26 -4.95 119.30 118.45 2bnm s MET 86 Ca -0.07 0.86 0.17 0.00 -1.71 0.00 0.00 55.69 54.93 2bnm s MET 86 Cb -0.14 -2.25 1.24 0.00 2.01 0.00 0.00 34.83 35.69 2bnm s MET 86 CO -0.01 -0.07 2.11 -1.00 -0.01 0.00 0.00 175.02 176.04 2bnm h PRO 87 N 1.53 0.00 0.00 2.03 0.13 -2.01 -0.80 132.00 132.88 2bnm h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2bnm h PRO 87 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bnm h PRO 87 CO 0.62 0.05 0.00 0.38 -0.23 0.00 0.00 178.00 178.83 2bnm h ASP 88 N 0.00 0.00 0.94 1.44 2.03 -2.03 -3.16 116.42 115.64 2bnm h ASP 88 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2bnm h ASP 88 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2bnm h ASP 88 CO 0.01 0.00 -0.27 -0.62 -1.03 0.00 0.00 179.24 177.33 2bnm n GLU 89 N -2.93 0.12 -1.88 4.15 4.71 -0.31 -4.95 120.64 119.55 2bnm n GLU 89 Ca 0.00 0.06 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 2bnm n GLU 89 Cb 0.24 -1.60 -0.02 0.00 -1.01 0.00 0.00 31.44 29.04 2bnm n GLU 89 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2bnm s ARG 90 N -3.06 4.19 0.22 3.49 0.52 -1.20 -4.93 118.95 118.18 2bnm s ARG 90 Ca 0.11 2.44 -0.31 0.00 -0.52 0.00 0.00 55.73 57.44 2bnm s ARG 90 Cb 0.16 -3.10 -0.11 0.00 0.52 0.00 0.00 34.95 32.42 2bnm s ARG 90 CO 0.63 -0.59 1.64 -2.14 0.02 0.00 0.00 175.30 174.86 2bnm s PRO 91 N 0.40 4.15 -0.28 3.54 0.02 -1.25 -4.83 135.00 136.75 2bnm s PRO 91 Ca 0.67 2.53 -0.06 0.00 0.02 0.00 0.00 61.00 64.15 2bnm s PRO 91 Cb -0.45 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 30.99 2bnm s PRO 91 CO 0.38 -0.67 0.05 0.42 -0.33 0.00 0.00 177.00 176.85 2bnm s ILE 92 N 0.85 3.85 0.05 2.83 1.01 -1.26 -0.48 121.20 128.06 2bnm s ILE 92 Ca 0.70 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.82 2bnm s ILE 92 Cb -0.47 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2bnm s ILE 92 CO 0.36 0.17 -0.26 -0.76 0.00 0.00 0.00 174.94 174.44 2bnm s LEU 93 N 1.50 2.18 0.45 2.97 1.43 0.24 -4.99 118.68 122.45 2bnm s LEU 93 Ca 0.03 -0.60 0.24 0.00 -1.03 0.00 0.00 54.13 52.78 2bnm s LEU 93 Cb -0.16 -1.26 0.55 0.00 0.03 0.00 0.00 46.19 45.35 2bnm s LEU 93 CO 0.01 0.24 1.68 0.07 0.23 0.00 0.00 176.35 178.59 2bnm h LYS 94 N 4.73 0.00 0.00 1.70 2.10 -1.88 -0.03 116.57 123.19 2bnm h LYS 94 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2bnm h LYS 94 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2bnm h LYS 94 CO 0.43 0.06 0.00 0.41 -2.00 0.00 0.00 179.45 178.36 2bnm n GLY 95 N 0.85 -0.88 3.30 0.07 0.00 -1.26 -4.26 105.19 103.00 2bnm n GLY 95 Ca 0.03 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 2bnm n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bnm s VAL 96 N -0.99 0.72 0.00 1.61 -7.23 -1.24 -4.87 120.40 108.40 2bnm s VAL 96 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2bnm s VAL 96 Cb 0.00 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2bnm s VAL 96 CO 0.00 -0.24 0.00 0.54 -0.31 0.00 0.00 175.10 175.09 2bnm n ARG 97 N -0.38 0.00 0.22 4.82 1.74 -1.26 -2.26 116.66 119.54 2bnm n ARG 97 Ca -0.03 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.16 2bnm n ARG 97 Cb 0.65 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 32.40 2bnm n ARG 97 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2bnm h ASP 98 N 0.00 0.00 -2.93 0.55 3.32 -1.98 -3.40 116.42 111.99 2bnm h ASP 98 Ca 0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 2bnm h ASP 98 Cb 0.00 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.21 2bnm h ASP 98 CO 0.00 0.11 0.16 0.59 -1.72 0.00 0.00 179.24 178.38 2bnm n ASN 99 N -3.16 5.03 0.00 6.45 3.02 -0.96 -4.76 115.26 120.87 2bnm n ASN 99 Ca 0.02 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 2bnm n ASN 99 Cb 0.49 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 2bnm n ASN 99 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2bnm n VAL 100 N 1.63 0.00 0.30 2.41 0.31 -1.26 -3.69 118.33 118.03 2bnm n VAL 100 Ca 0.25 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.76 2bnm n VAL 100 Cb 0.37 -0.82 0.72 0.00 -0.91 0.00 0.00 33.84 33.19 2bnm n VAL 100 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2bnm h ASP 101 N 0.00 0.00 -0.24 4.52 2.03 -1.86 -3.05 116.42 117.82 2bnm h ASP 101 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2bnm h ASP 101 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2bnm h ASP 101 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.99 2bnm n TYR 102 N -2.98 0.53 -3.79 4.15 4.02 -1.26 -4.96 117.16 112.86 2bnm n TYR 102 Ca 0.00 -0.67 -0.14 0.00 -0.01 0.00 0.00 57.90 57.08 2bnm n TYR 102 Cb 0.27 -0.14 -0.15 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.80 -0.01 -0.13 -0.72 1.51 -1.15 -0.24 117.35 114.81 2bnm s TYR 103 Ca 0.27 0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.49 2bnm s TYR 103 Cb 0.20 -0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.87 2bnm s TYR 103 CO 0.10 -0.08 -0.08 0.08 -1.11 0.00 0.00 175.55 174.46 2bnm s VAL 104 N 0.81 3.54 -0.39 0.71 1.01 -0.43 -4.64 120.40 121.00 2bnm s VAL 104 Ca -0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2bnm s VAL 104 Cb -0.09 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2bnm s VAL 104 CO -0.03 0.52 0.25 -0.31 0.00 0.00 0.00 175.10 175.54 2bnm s TYR 105 N 0.18 3.24 -0.53 5.22 1.51 -0.03 -1.05 117.35 125.90 2bnm s TYR 105 Ca -0.04 -0.81 -0.17 0.00 -1.01 0.00 0.00 57.07 55.03 2bnm s TYR 105 Cb -0.14 -2.53 0.09 0.00 -0.11 0.00 0.00 41.96 39.27 2bnm s TYR 105 CO 0.04 -0.63 0.56 -0.80 -1.11 0.00 0.00 175.55 173.61 2bnm s ASN 106 N 1.63 6.19 -0.14 2.29 0.01 -0.03 -0.59 114.94 124.29 2bnm s ASN 106 Ca 0.03 -1.37 -0.29 0.00 -0.71 0.00 0.00 52.86 50.52 2bnm s ASN 106 Cb -0.19 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 2bnm s ASN 106 CO 0.08 -0.89 1.11 0.00 -1.51 0.00 0.00 177.10 175.89 2bnm n LEU 108 N 5.71 0.00 -4.71 0.00 4.77 -0.08 -3.96 117.00 118.73 2bnm n LEU 108 Ca 0.11 -0.99 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 2bnm n LEU 108 Cb 0.47 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2bnm n LEU 108 CO 0.53 -0.74 0.92 0.55 -1.33 0.00 0.00 177.39 177.33 2bnm n VAL 109 N -2.12 2.45 -4.33 4.08 3.14 -1.26 -4.69 118.33 115.60 2bnm n VAL 109 Ca 0.08 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.79 2bnm n VAL 109 Cb 0.28 -1.63 -0.10 0.00 -1.06 0.00 0.00 33.84 31.33 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 -2.17 1.34 -0.13 1.45 0.52 -1.26 -4.45 118.95 114.25 2bnm s ARG 110 Ca 0.59 -1.69 -0.14 0.00 -0.52 0.00 0.00 55.73 53.97 2bnm s ARG 110 Cb -0.51 -0.54 0.04 0.00 0.52 0.00 0.00 34.95 34.46 2bnm s ARG 110 CO 0.59 -0.14 0.39 -0.08 0.02 0.00 0.00 175.30 176.08 2bnm s THR 111 N -3.49 0.01 0.29 0.02 -1.32 -1.26 -5.01 115.64 104.87 2bnm s THR 111 Ca 0.30 -0.06 0.37 0.00 -1.21 0.00 0.00 61.69 61.09 2bnm s THR 111 Cb 0.06 -0.57 0.40 0.00 -1.51 0.00 0.00 72.50 70.89 2bnm s THR 111 CO 0.09 -0.03 2.12 0.11 -2.21 0.00 0.00 174.62 174.70 2bnm h LYS 112 N 5.27 0.00 0.00 7.08 1.57 -1.95 -1.79 116.57 126.75 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 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2bnm h LYS 112 CO 0.28 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.70 2bnm n ARG 113 N -3.00 0.21 -3.04 3.15 5.12 -1.25 -4.05 116.66 113.79 2bnm n ARG 113 Ca -0.01 0.40 -0.18 0.00 -1.93 0.00 0.00 57.85 56.13 2bnm n ARG 113 Cb 0.19 -1.87 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 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 -1.78 0.98 0.26 7.54 0.00 -0.68 -5.03 120.51 121.80 2bnm n ALA 114 Ca 0.03 -2.59 0.13 0.00 0.00 0.00 0.00 53.44 51.00 2bnm n ALA 114 Cb 0.26 -1.01 0.78 0.00 0.00 0.00 0.00 19.45 19.48 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 4.21 0.00 0.00 0.00 0.11 -1.68 -1.19 132.00 133.44 2bnm h PRO 115 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2bnm h PRO 115 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2bnm h PRO 115 CO 0.38 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.04 2bnm n SER 116 N -4.16 0.43 -4.61 -2.05 3.41 -1.26 -4.68 113.62 100.70 2bnm n SER 116 Ca -0.02 0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 58.75 2bnm n SER 116 Cb 0.13 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 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 -3.91 3.68 -0.38 1.04 2.96 -0.45 -3.53 118.68 118.09 2bnm s LEU 117 Ca 0.07 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 2bnm s LEU 117 Cb 0.11 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.38 2bnm s LEU 117 CO 0.41 -1.31 0.19 -0.69 -1.32 0.00 0.00 176.35 173.63 2bnm s VAL 118 N 5.01 1.02 0.05 1.68 1.01 -0.04 -4.66 120.40 124.47 2bnm s VAL 118 Ca 0.58 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 2bnm s VAL 118 Cb -0.14 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 2bnm s VAL 118 CO 0.30 -0.84 0.40 -2.16 0.00 0.00 0.00 175.10 172.80 2bnm s PRO 119 N 0.89 3.83 -0.00 2.72 0.04 -1.26 -1.68 135.00 139.53 2bnm s PRO 119 Ca 0.15 0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.45 2bnm s PRO 119 Cb -0.22 -3.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 2bnm s PRO 119 CO -0.08 0.62 0.04 -0.51 0.04 0.00 0.00 177.00 177.10 2bnm s LEU 120 N -1.55 1.92 -0.32 -3.56 1.43 0.68 -0.90 118.68 116.38 2bnm s LEU 120 Ca 0.29 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 2bnm s LEU 120 Cb -0.15 0.23 -0.02 0.00 0.03 0.00 0.00 46.19 46.28 2bnm s LEU 120 CO 0.16 -0.18 0.43 -0.69 0.23 0.00 0.00 176.35 176.30 2bnm s VAL 121 N -0.75 5.10 -0.33 -1.59 1.01 0.23 -0.54 120.40 123.53 2bnm s VAL 121 Ca -0.08 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2bnm s VAL 121 Cb -0.05 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2bnm s VAL 121 CO -0.00 -0.06 0.19 -0.69 0.00 0.00 0.00 175.10 174.54 2bnm s VAL 122 N 2.20 4.85 -0.17 2.92 1.01 0.68 -0.85 120.40 131.02 2bnm s VAL 122 Ca 0.16 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 2bnm s VAL 122 Cb -0.16 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2bnm s VAL 122 CO 0.12 -0.00 0.77 -1.81 0.00 0.00 0.00 175.10 174.17 2bnm s ASP 123 N 1.64 6.88 -0.37 3.32 1.01 -0.22 -1.41 116.67 127.53 2bnm s ASP 123 Ca 0.05 1.07 -0.08 0.00 0.71 0.00 0.00 52.55 54.30 2bnm s ASP 123 Cb -0.17 -2.42 0.04 0.00 1.01 0.00 0.00 42.92 41.38 2bnm s ASP 123 CO 0.08 -0.35 0.17 -0.69 0.21 0.00 0.00 175.17 174.59 2bnm s VAL 124 N 2.02 4.11 -0.65 -1.27 1.01 0.94 -1.31 120.40 125.24 2bnm s VAL 124 Ca 0.35 -1.11 0.22 0.00 0.00 0.00 0.00 61.98 61.44 2bnm s VAL 124 Cb -0.16 -3.36 -0.21 0.00 0.00 0.00 0.00 36.38 32.65 2bnm s VAL 124 CO 0.12 -0.27 0.86 0.18 0.00 0.00 0.00 175.10 175.99 2bnm n LEU 125 N 4.89 0.63 -4.76 3.92 4.77 0.67 -1.44 117.00 125.67 2bnm n LEU 125 Ca -0.12 -0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.25 2bnm n LEU 125 Cb 0.45 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2bnm n LEU 125 CO 0.34 0.12 0.30 0.28 -1.33 0.00 0.00 177.39 177.11 2bnm s THR 126 N -3.18 4.90 -0.21 -5.08 -1.32 -1.22 -4.70 115.64 104.82 2bnm s THR 126 Ca 0.03 1.26 0.11 0.00 -1.21 0.00 0.00 61.69 61.89 2bnm s THR 126 Cb 0.15 -3.94 0.43 0.00 -1.51 0.00 0.00 72.50 67.63 2bnm s THR 126 CO 0.85 0.42 1.21 -0.90 -2.21 0.00 0.00 174.62 173.99 2bnm n ASP 127 N 2.72 2.30 -4.01 8.08 5.75 -1.26 -0.62 116.55 129.51 2bnm n ASP 127 Ca -0.07 -3.71 -0.32 0.00 -0.01 0.00 0.00 54.79 50.68 2bnm n ASP 127 Cb 0.51 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.00 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 -3.24 4.69 0.38 -1.12 3.84 -1.26 -2.86 114.94 115.37 2bnm s ASN 128 Ca 0.40 -2.86 0.14 0.00 0.21 0.00 0.00 52.86 50.75 2bnm s ASN 128 Cb 0.38 -1.72 0.97 0.00 -0.55 0.00 0.00 41.25 40.33 2bnm s ASN 128 CO -0.05 -0.30 1.83 -0.65 -2.79 0.00 0.00 177.10 175.14 2bnm h PRO 129 N 6.81 0.51 -0.40 0.43 0.11 -1.92 0.41 132.00 137.96 2bnm h PRO 129 Ca -0.06 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.13 2bnm h PRO 129 Cb 0.93 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 2bnm h PRO 129 CO 0.68 0.34 0.28 -0.44 -0.21 0.00 0.00 178.00 178.66 2bnm h ASP 130 N 0.53 0.05 0.17 -2.05 5.19 -1.98 -0.92 116.42 117.41 2bnm h ASP 130 Ca 0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 2bnm h ASP 130 Cb 1.07 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2bnm h ASP 130 CO -0.23 0.03 -0.37 0.47 -3.12 0.00 0.00 179.24 176.02 2bnm n ASP 131 N -4.43 1.29 -4.57 6.45 8.00 0.12 -4.97 116.55 118.44 2bnm n ASP 131 Ca 0.06 -1.04 -0.52 0.00 0.71 0.00 0.00 54.79 54.00 2bnm n ASP 131 Cb 0.44 0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.76 2bnm n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bnm n ALA 132 N -0.55 -1.37 -3.01 2.24 0.00 -0.35 -4.95 120.51 112.51 2bnm n ALA 132 Ca 0.11 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.71 2bnm n ALA 132 Cb 0.38 -2.00 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 2bnm n ALA 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2bnm s LYS 133 N 0.15 3.71 0.30 0.00 2.47 -1.26 -5.06 119.74 120.05 2bnm s LYS 133 Ca 0.82 -0.47 -0.29 0.00 -1.56 0.00 0.00 55.97 54.47 2bnm s LYS 133 Cb -0.97 -3.19 -0.10 0.00 -1.46 0.00 0.00 37.83 32.11 2bnm s LYS 133 CO 0.50 0.00 1.12 -0.06 0.16 0.00 0.00 175.35 177.07 2bnm s PHE 134 N 1.06 3.49 0.01 4.03 0.40 -1.26 -4.61 117.98 121.10 2bnm s PHE 134 Ca 0.03 1.67 -0.00 0.00 -0.60 0.00 0.00 56.93 58.03 2bnm s PHE 134 Cb -0.14 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.08 2bnm s PHE 134 CO 0.02 -0.69 0.02 0.27 0.70 0.00 0.00 175.22 175.54 2bnm n ASN 135 N 1.01 0.01 -0.65 1.36 0.23 -0.85 -4.95 115.26 111.42 2bnm n ASN 135 Ca -0.00 -1.01 0.08 0.00 -0.53 0.00 0.00 54.58 53.12 2bnm n ASN 135 Cb 0.45 -0.01 0.21 0.00 -2.08 0.00 0.00 39.78 38.34 2bnm n ASN 135 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2bnm n SER 136 N -3.01 3.35 0.00 0.53 7.64 -1.26 -4.26 113.62 116.60 2bnm n SER 136 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2bnm n SER 136 Cb 0.01 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2bnm n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bnm n GLY 137 N -0.56 1.04 3.91 0.23 0.00 -1.26 -4.50 105.19 104.06 2bnm n GLY 137 Ca 0.18 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.73 3.49 0.45 1.61 3.76 -1.26 -4.73 115.29 115.87 2bnm s HIS 138 Ca 0.00 0.63 0.13 0.00 -0.15 0.00 0.00 55.06 55.68 2bnm s HIS 138 Cb 0.00 -2.11 1.02 0.00 1.11 0.00 0.00 32.58 32.61 2bnm s HIS 138 CO 0.00 0.11 2.02 0.00 -0.85 0.00 0.00 174.74 176.03 2bnm h ALA 139 N 1.40 1.74 -4.70 -1.40 0.00 -1.96 0.15 119.26 114.50 2bnm h ALA 139 Ca -0.48 -0.12 -0.47 0.00 0.00 0.00 0.00 54.91 53.84 2bnm h ALA 139 Cb 1.19 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2bnm h ALA 139 CO 0.65 0.19 -0.37 0.41 0.00 0.00 0.00 179.25 180.13 2bnm n GLY 140 N -1.15 3.53 3.84 0.00 0.00 -1.26 -4.74 105.19 105.40 2bnm n GLY 140 Ca -0.02 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 2bnm n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bnm s ASN 141 N -3.05 5.39 -0.01 1.61 0.01 -1.18 -3.67 114.94 114.05 2bnm s ASN 141 Ca 0.10 1.42 -0.00 0.00 -0.71 0.00 0.00 52.86 53.67 2bnm s ASN 141 Cb 0.00 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.39 2bnm s ASN 141 CO 0.07 -1.41 0.03 -0.70 -1.51 0.00 0.00 177.10 173.58 2bnm s GLU 142 N -5.15 -0.01 -0.09 -0.60 2.12 -0.52 -1.74 118.70 112.71 2bnm s GLU 142 Ca 0.58 0.12 0.01 0.00 0.36 0.00 0.00 54.97 56.03 2bnm s GLU 142 Cb -0.13 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.11 2bnm s GLU 142 CO 0.54 -0.09 -0.10 0.12 -0.54 0.00 0.00 175.26 175.19 2bnm s PHE 143 N 0.57 2.86 0.12 5.30 5.36 -0.34 -0.91 117.98 130.94 2bnm s PHE 143 Ca -0.05 -0.19 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 2bnm s PHE 143 Cb -0.07 -1.75 -0.04 0.00 -0.34 0.00 0.00 43.02 40.83 2bnm s PHE 143 CO -0.02 0.15 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.24 2bnm s LEU 144 N -0.42 2.39 -0.07 6.12 1.02 0.29 0.11 118.68 128.13 2bnm s LEU 144 Ca 0.06 -0.79 -0.03 0.00 0.02 0.00 0.00 54.13 53.38 2bnm s LEU 144 Cb -0.12 -0.54 0.04 0.00 0.02 0.00 0.00 46.19 45.59 2bnm s LEU 144 CO 0.02 -0.14 0.16 0.12 0.02 0.00 0.00 176.35 176.52 2bnm s PHE 145 N -2.07 -0.18 -0.48 0.29 5.36 -0.55 -1.42 117.98 118.93 2bnm s PHE 145 Ca 0.08 0.51 -0.26 0.00 -0.96 0.00 0.00 56.93 56.30 2bnm s PHE 145 Cb -0.05 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.58 2bnm s PHE 145 CO 0.03 -0.18 1.00 0.08 -1.46 0.00 0.00 175.22 174.70 2bnm s VAL 146 N 1.23 4.36 0.00 3.12 1.01 -0.22 -0.98 120.40 128.92 2bnm s VAL 146 Ca -0.09 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2bnm s VAL 146 Cb -0.12 -4.52 -0.32 0.00 0.00 0.00 0.00 36.38 31.43 2bnm s VAL 146 CO -0.06 -0.95 0.87 0.25 0.00 0.00 0.00 175.10 175.21 2bnm h LEU 147 N 10.90 0.65 -7.47 3.92 5.85 -1.43 0.17 115.31 127.89 2bnm h LEU 147 Ca -0.24 -0.81 -0.14 0.00 0.84 0.00 0.00 57.88 57.52 2bnm h LEU 147 Cb 1.07 -0.21 -0.24 0.00 0.37 0.00 0.00 40.66 41.65 2bnm h LEU 147 CO 1.07 1.66 -0.36 -0.70 -0.34 0.00 0.00 178.44 179.77 2bnm s GLU 148 N -2.60 0.42 2.62 1.25 2.12 -0.86 -4.80 118.70 116.85 2bnm s GLU 148 Ca -0.11 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2bnm s GLU 148 Cb 0.05 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.64 2bnm s GLU 148 CO 0.89 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.95 2bnm n GLY 149 N 2.51 -0.64 2.85 -1.50 0.00 -1.26 -1.14 105.19 106.01 2bnm n GLY 149 Ca -0.15 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 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 0.71 -0.09 1.61 2.12 -1.26 -1.95 118.70 119.85 2bnm s GLU 150 Ca 0.00 -0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.26 2bnm s GLU 150 Cb 0.00 -0.83 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 2bnm s GLU 150 CO 0.00 -0.14 0.05 0.42 -0.54 0.00 0.00 175.26 175.05 2bnm s ILE 151 N 1.19 4.71 -0.39 -3.70 -1.09 0.16 -0.83 121.20 121.25 2bnm s ILE 151 Ca -0.07 -0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.14 2bnm s ILE 151 Cb -0.14 -3.02 0.06 0.00 -1.58 0.00 0.00 42.46 37.78 2bnm s ILE 151 CO -0.02 0.59 0.21 -2.28 -1.23 0.00 0.00 174.94 172.21 2bnm s HIS 152 N -0.95 3.30 -0.09 3.97 5.65 0.55 -0.03 115.29 127.69 2bnm s HIS 152 Ca 0.15 -1.38 -0.07 0.00 0.25 0.00 0.00 55.06 54.00 2bnm s HIS 152 Cb -0.12 -2.66 -0.04 0.00 -1.18 0.00 0.00 32.58 28.58 2bnm s HIS 152 CO 0.04 -0.77 0.19 1.41 -0.65 0.00 0.00 174.74 174.95 2bnm s MET 153 N 1.45 3.51 0.03 2.88 1.75 0.26 -1.71 119.30 127.46 2bnm s MET 153 Ca 0.02 -0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.43 2bnm s MET 153 Cb -0.21 -3.18 -0.02 0.00 2.84 0.00 0.00 34.83 34.26 2bnm s MET 153 CO 0.03 0.75 -0.15 0.15 -0.65 0.00 0.00 175.02 175.15 2bnm s LYS 154 N -1.17 1.03 0.24 4.11 1.02 0.06 -1.22 119.74 123.80 2bnm s LYS 154 Ca 0.18 -0.75 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 2bnm s LYS 154 Cb -0.13 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.14 2bnm s LYS 154 CO 0.07 0.26 0.53 1.67 -0.92 0.00 0.00 175.35 176.96 2bnm s TRP 155 N -0.77 0.18 0.00 3.18 -2.14 -0.39 -1.11 118.94 117.89 2bnm s TRP 155 Ca 0.03 -0.56 0.00 0.00 2.66 0.00 0.00 56.10 58.23 2bnm s TRP 155 Cb -0.08 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.61 2bnm s TRP 155 CO 0.01 -1.02 0.00 0.41 -2.66 0.00 0.00 176.95 173.69 2bnm n GLY 156 N -0.39 1.05 3.59 3.67 0.00 -0.37 -1.12 105.19 111.63 2bnm n GLY 156 Ca -0.03 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 6.63 0.57 1.61 2.15 -1.26 -4.51 116.67 117.87 2bnm s ASP 157 Ca 0.00 0.46 0.28 0.00 0.43 0.00 0.00 52.55 53.72 2bnm s ASP 157 Cb 0.00 -2.47 1.50 0.00 -0.30 0.00 0.00 42.92 41.65 2bnm s ASP 157 CO 0.00 -0.95 1.99 0.07 -0.17 0.00 0.00 175.17 176.11 2bnm h LYS 158 N 8.70 0.00 0.00 4.34 2.10 -1.95 0.47 116.57 130.22 2bnm h LYS 158 Ca -0.23 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.33 2bnm h LYS 158 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2bnm h LYS 158 CO 1.01 0.00 -0.74 0.93 -2.00 0.00 0.00 179.45 178.65 2bnm h GLU 159 N 0.00 0.00 -1.63 0.07 4.39 -1.98 -3.39 114.58 112.03 2bnm h GLU 159 Ca 0.19 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.41 2bnm h GLU 159 Cb 0.94 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.24 2bnm h GLU 159 CO -0.00 0.27 -1.01 -1.71 -1.16 0.00 0.00 179.01 175.40 2bnm n ASN 160 N -3.02 -0.28 -4.81 1.42 4.05 -0.00 -5.15 115.26 107.47 2bnm n ASN 160 Ca -0.01 -2.87 -0.32 0.00 0.45 0.00 0.00 54.58 51.83 2bnm n ASN 160 Cb 0.69 -0.18 0.01 0.00 1.23 0.00 0.00 39.78 41.54 2bnm n ASN 160 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2bnm s PRO 161 N -1.04 3.33 0.51 1.20 0.04 -0.28 -4.42 135.00 134.34 2bnm s PRO 161 Ca 0.35 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 2bnm s PRO 161 Cb 0.21 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 2bnm s PRO 161 CO -0.12 -0.80 1.00 0.15 0.04 0.00 0.00 177.00 177.27 2bnm s LYS 162 N -4.27 3.87 0.04 4.56 -0.14 -0.28 -4.90 119.74 118.62 2bnm s LYS 162 Ca 0.62 1.07 -0.05 0.00 -1.36 0.00 0.00 55.97 56.25 2bnm s LYS 162 Cb -0.15 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.87 2bnm s LYS 162 CO 0.40 -0.34 0.08 -1.21 -0.76 0.00 0.00 175.35 173.52 2bnm s GLU 163 N -3.83 0.59 -0.15 1.68 2.02 -1.26 -1.27 118.70 116.48 2bnm s GLU 163 Ca 0.61 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.67 2bnm s GLU 163 Cb -0.11 0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.39 2bnm s GLU 163 CO 0.28 -0.15 0.39 0.00 0.02 0.00 0.00 175.26 175.81 2bnm s ALA 164 N -2.75 -0.98 -0.25 5.21 0.00 -0.36 -5.00 121.76 117.64 2bnm s ALA 164 Ca -0.04 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 2bnm s ALA 164 Cb -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2bnm s ALA 164 CO -0.05 -0.20 0.42 -0.51 0.00 0.00 0.00 175.76 175.42 2bnm s LEU 165 N 0.41 4.08 -0.27 0.00 1.43 -1.26 -0.58 118.68 122.49 2bnm s LEU 165 Ca -0.02 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2bnm s LEU 165 Cb -0.04 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.72 2bnm s LEU 165 CO -0.02 -0.18 -0.07 -0.76 0.23 0.00 0.00 176.35 175.55 2bnm s LEU 166 N 1.91 3.47 0.88 1.79 1.43 0.96 -4.96 118.68 124.15 2bnm s LEU 166 Ca 0.18 -1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 2bnm s LEU 166 Cb -0.15 -1.47 0.12 0.00 0.03 0.00 0.00 46.19 44.71 2bnm s LEU 166 CO 0.09 -0.24 1.10 -2.16 0.23 0.00 0.00 176.35 175.37 2bnm s PRO 167 N 1.14 1.41 0.09 1.29 0.04 -1.26 -0.67 135.00 137.04 2bnm s PRO 167 Ca -0.04 0.63 -0.37 0.00 0.04 0.00 0.00 61.00 61.26 2bnm s PRO 167 Cb -0.20 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.33 2bnm s PRO 167 CO -0.06 -2.08 1.32 2.41 0.04 0.00 0.00 177.00 178.62 2bnm n THR 168 N -3.75 0.04 0.00 1.26 -1.04 -0.82 -1.48 114.28 108.50 2bnm n THR 168 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2bnm n THR 168 Cb 0.57 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 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 2.45 1.48 3.75 3.41 0.00 0.59 -4.99 105.19 111.88 2bnm n GLY 169 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.39 2.42 0.13 4.61 0.00 -0.55 -4.74 121.76 121.25 2bnm s ALA 170 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.78 2bnm s ALA 170 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2bnm s ALA 170 CO 0.00 -1.34 -0.12 -1.54 0.00 0.00 0.00 175.76 172.76 2bnm s SER 171 N -2.11 1.83 -0.02 0.00 1.04 -1.26 -1.05 113.70 112.12 2bnm s SER 171 Ca 0.72 -0.90 -0.15 0.00 0.48 0.00 0.00 55.95 56.10 2bnm s SER 171 Cb -0.25 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 65.86 2bnm s SER 171 CO 0.39 -0.24 0.31 -0.04 0.98 0.00 0.00 173.24 174.64 2bnm s MET 172 N -3.17 0.65 -0.06 4.02 1.00 -0.50 -4.99 119.30 116.25 2bnm s MET 172 Ca 0.12 -0.14 0.05 0.00 0.00 0.00 0.00 55.69 55.71 2bnm s MET 172 Cb -0.01 0.29 -0.00 0.00 0.00 0.00 0.00 34.83 35.10 2bnm s MET 172 CO 0.02 -0.18 -0.20 0.12 0.00 0.00 0.00 175.02 174.78 2bnm s PHE 173 N -1.22 2.04 -0.18 -0.03 5.36 -1.26 -0.54 117.98 122.15 2bnm s PHE 173 Ca -0.13 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.20 2bnm s PHE 173 Cb -0.05 -1.37 0.03 0.00 -0.34 0.00 0.00 43.02 41.29 2bnm s PHE 173 CO 0.04 -0.23 -0.13 0.08 -1.46 0.00 0.00 175.22 173.52 2bnm s VAL 174 N 0.08 1.67 0.60 3.12 1.01 -0.09 -5.01 120.40 121.78 2bnm s VAL 174 Ca -0.07 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2bnm s VAL 174 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2bnm s VAL 174 CO 0.04 0.31 1.15 -0.70 0.00 0.00 0.00 175.10 175.90 2bnm s GLU 175 N 1.41 3.01 0.21 2.72 2.12 -1.26 -1.44 118.70 125.47 2bnm s GLU 175 Ca 0.02 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.67 2bnm s GLU 175 Cb -0.15 -1.96 -0.16 0.00 0.26 0.00 0.00 34.13 32.12 2bnm s GLU 175 CO -0.10 -1.12 0.73 -0.85 -0.54 0.00 0.00 175.26 173.38 2bnm n GLU 176 N -1.78 0.44 -0.79 4.30 0.28 -1.24 -2.40 120.64 119.45 2bnm n GLU 176 Ca 0.12 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2bnm n GLU 176 Cb 0.51 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.06 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 0.25 0.00 -2.83 -1.84 8.25 0.53 -4.91 115.22 114.67 2bnm n HIS 177 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2bnm n HIS 177 Cb 0.26 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 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 -3.45 4.76 0.40 1.59 1.01 -1.01 -4.35 120.40 119.35 2bnm s VAL 178 Ca 0.00 1.58 -0.26 0.00 0.00 0.00 0.00 61.98 63.30 2bnm s VAL 178 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 2bnm s VAL 178 CO 0.00 -0.18 1.27 -2.84 0.00 0.00 0.00 175.10 173.35 2bnm s PRO 179 N 3.02 4.02 0.29 2.72 0.02 -1.26 -4.04 135.00 139.78 2bnm s PRO 179 Ca 0.37 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 63.28 2bnm s PRO 179 Cb -0.15 -2.77 0.02 0.00 0.02 0.00 0.00 34.50 31.63 2bnm s PRO 179 CO 0.09 -0.42 0.72 -3.38 -0.33 0.00 0.00 177.00 173.68 2bnm s HIS 180 N -1.28 -0.13 -0.02 6.54 -3.43 -1.26 -1.23 115.29 114.48 2bnm s HIS 180 Ca 0.56 -0.36 -0.25 0.00 -0.80 0.00 0.00 55.06 54.21 2bnm s HIS 180 Cb -0.37 0.72 0.06 0.00 -1.43 0.00 0.00 32.58 31.56 2bnm s HIS 180 CO 0.47 -1.28 0.56 0.00 -2.00 0.00 0.00 174.74 172.49 2bnm s ALA 181 N -3.69 -1.45 0.01 -1.38 0.00 -0.27 -2.00 121.76 112.98 2bnm s ALA 181 Ca 0.12 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.01 2bnm s ALA 181 Cb -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2bnm s ALA 181 CO 0.08 -0.39 -0.05 -0.59 0.00 0.00 0.00 175.76 174.81 2bnm s PHE 182 N -1.57 0.43 0.39 0.00 -0.12 -1.26 -0.76 117.98 115.09 2bnm s PHE 182 Ca -0.10 -0.21 0.04 0.00 -0.05 0.00 0.00 56.93 56.60 2bnm s PHE 182 Cb -0.01 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 2bnm s PHE 182 CO 0.06 -0.04 0.11 0.95 -0.05 0.00 0.00 175.22 176.24 2bnm s THR 183 N -0.52 0.74 0.71 -4.49 -4.23 -0.70 -4.91 115.64 102.24 2bnm s THR 183 Ca -0.03 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 2bnm s THR 183 Cb -0.04 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.38 2bnm s THR 183 CO -0.00 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.18 2bnm s ALA 184 N -3.23 2.37 0.50 3.99 0.00 0.21 -0.33 121.76 125.27 2bnm s ALA 184 Ca 0.26 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 2bnm s ALA 184 Cb 0.04 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2bnm s ALA 184 CO 0.14 -1.50 1.35 0.00 0.00 0.00 0.00 175.76 175.75 2bnm s ALA 185 N -2.59 2.98 -0.15 0.00 0.00 -0.01 -4.37 121.76 117.62 2bnm s ALA 185 Ca 0.64 1.31 -0.40 0.00 0.00 0.00 0.00 51.96 53.52 2bnm s ALA 185 Cb -0.19 -3.55 -0.17 0.00 0.00 0.00 0.00 23.12 19.21 2bnm s ALA 185 CO 0.48 -1.20 1.49 1.17 0.00 0.00 0.00 175.76 177.70 2bnm n LYS 186 N -0.67 0.83 -0.87 0.00 4.81 -1.25 -1.55 118.16 119.45 2bnm n LYS 186 Ca 0.08 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2bnm n LYS 186 Cb 0.44 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2bnm n LYS 186 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bnm n GLY 187 N 3.22 0.50 0.59 3.14 0.00 -1.14 -4.88 105.19 106.62 2bnm n GLY 187 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.22 0.10 0.00 2.61 -2.24 -0.59 -4.97 114.28 106.97 2bnm n THR 188 Ca 0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2bnm n THR 188 Cb 0.07 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.20 2.04 3.57 3.38 0.00 -1.26 -4.85 105.19 109.26 2bnm n GLY 189 Ca 0.18 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -0.23 0.28 1.61 1.04 -1.26 -4.23 113.70 110.91 2bnm s SER 190 Ca 0.00 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 2bnm s SER 190 Cb 0.00 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.72 2bnm s SER 190 CO 0.00 -1.10 0.55 0.00 0.98 0.00 0.00 173.24 173.67 2bnm s ALA 191 N -3.90 -0.28 -0.01 5.32 0.00 -0.52 -4.61 121.76 117.76 2bnm s ALA 191 Ca 0.11 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2bnm s ALA 191 Cb -0.02 1.01 -0.00 0.00 0.00 0.00 0.00 23.12 24.11 2bnm s ALA 191 CO 0.00 -0.89 -0.05 0.15 0.00 0.00 0.00 175.76 174.98 2bnm s LYS 192 N -3.65 0.41 0.12 0.00 1.02 -0.29 -0.04 119.74 117.32 2bnm s LYS 192 Ca 0.21 -0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.12 2bnm s LYS 192 Cb -0.02 -0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 2bnm s LYS 192 CO 0.11 0.08 -0.19 -0.48 -0.92 0.00 0.00 175.35 173.95 2bnm s LEU 193 N 0.00 2.35 -0.22 3.17 0.05 -0.50 -1.08 118.68 122.46 2bnm s LEU 193 Ca 0.00 -0.75 -0.12 0.00 0.05 0.00 0.00 54.13 53.31 2bnm s LEU 193 Cb -0.03 -0.80 -0.05 0.00 -2.05 0.00 0.00 46.19 43.27 2bnm s LEU 193 CO -0.00 -0.01 0.24 -0.63 -0.55 0.00 0.00 176.35 175.41 2bnm s ILE 194 N -1.57 5.31 -0.19 1.48 1.01 -0.15 -0.23 121.20 126.86 2bnm s ILE 194 Ca 0.09 0.38 -0.00 0.00 0.00 0.00 0.00 60.65 61.12 2bnm s ILE 194 Cb -0.08 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2bnm s ILE 194 CO 0.05 0.33 -0.15 0.00 0.00 0.00 0.00 174.94 175.16 2bnm s ALA 195 N 1.02 2.48 -0.41 9.38 0.00 0.29 -1.48 121.76 133.04 2bnm s ALA 195 Ca 0.12 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2bnm s ALA 195 Cb -0.14 -1.32 0.11 0.00 0.00 0.00 0.00 23.12 21.78 2bnm s ALA 195 CO 0.05 -0.31 0.17 0.08 0.00 0.00 0.00 175.76 175.75 2bnm s VAL 196 N 1.25 2.91 0.23 0.00 1.01 0.12 -0.23 120.40 125.69 2bnm s VAL 196 Ca 0.03 -2.34 -0.30 0.00 0.00 0.00 0.00 61.98 59.37 2bnm s VAL 196 Cb -0.14 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 2bnm s VAL 196 CO -0.08 -0.68 1.00 0.20 0.00 0.00 0.00 175.10 175.53 2bnm s ASN 197 N 1.23 7.50 0.00 3.32 0.01 -0.68 -1.19 114.94 125.12 2bnm s ASN 197 Ca 0.11 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.28 2bnm s ASN 197 Cb -0.21 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.84 2bnm s ASN 197 CO -0.05 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.78