#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnn h THR 6 N 0.00 0.78 -0.03 3.15 1.03 -2.01 -2.09 112.91 113.74 2bnn h THR 6 Ca 0.00 -1.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.16 2bnn h THR 6 Cb 0.00 1.77 -0.00 0.00 -1.07 0.00 0.00 68.15 68.85 2bnn h THR 6 CO 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 175.52 175.80 2bnn h ALA 7 N 1.71 0.04 -0.37 0.00 0.00 -1.99 -0.96 119.26 117.68 2bnn h ALA 7 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2bnn h ALA 7 Cb 0.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2bnn h ALA 7 CO 0.04 -0.30 -0.01 0.66 0.00 0.00 0.00 179.25 179.64 2bnn h SER 8 N -0.25 0.55 -0.03 0.00 4.64 -1.90 -1.63 113.55 114.93 2bnn h SER 8 Ca 0.01 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2bnn h SER 8 Cb 0.32 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2bnn h SER 8 CO 0.00 0.63 -0.01 0.74 -0.87 0.00 0.00 176.83 177.32 2bnn h THR 9 N 0.55 1.31 -0.80 2.95 2.02 -1.28 -1.39 112.91 116.27 2bnn h THR 9 Ca 0.12 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 2bnn h THR 9 Cb 0.37 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 2bnn h THR 9 CO 0.01 0.25 0.40 1.23 0.37 0.00 0.00 175.52 177.78 2bnn h GLY 10 N -0.31 1.23 0.87 2.16 0.00 -1.13 -1.71 103.07 104.18 2bnn h GLY 10 Ca 0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 2bnn h GLY 10 CO 0.00 0.57 -0.17 -2.75 0.00 0.00 0.00 176.54 174.20 2bnn h PHE 11 N 1.13 -0.44 -0.75 5.60 3.57 -1.33 -0.44 116.94 124.29 2bnn h PHE 11 Ca 0.28 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.95 2bnn h PHE 11 Cb 0.10 0.16 -0.13 0.00 2.79 0.00 0.00 35.95 38.87 2bnn h PHE 11 CO 0.01 -0.26 0.05 0.00 -2.23 0.00 0.00 178.31 175.88 2bnn h ALA 12 N 0.34 0.83 -0.17 2.41 0.00 -0.92 0.78 119.26 122.52 2bnn h ALA 12 Ca -0.02 0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2bnn h ALA 12 Cb 0.35 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2bnn h ALA 12 CO 0.00 -0.41 -0.70 0.93 0.00 0.00 0.00 179.25 179.07 2bnn h GLU 13 N 0.13 0.72 0.00 0.00 5.08 -1.16 -2.82 114.58 116.54 2bnn h GLU 13 Ca 0.41 -0.55 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2bnn h GLU 13 Cb 0.73 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2bnn h GLU 13 CO -0.63 1.16 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.85 2bnn h LEU 14 N 0.51 0.00 -0.08 1.33 3.38 -0.30 -2.27 115.31 117.89 2bnn h LEU 14 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2bnn h LEU 14 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2bnn h LEU 14 CO 0.14 0.56 0.02 0.25 0.09 0.00 0.00 178.44 179.50 2bnn h LEU 15 N 0.00 0.12 -0.55 1.67 5.85 0.52 -2.02 115.31 120.91 2bnn h LEU 15 Ca -0.02 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2bnn h LEU 15 Cb 1.44 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2bnn h LEU 15 CO 0.07 0.33 0.36 0.50 -0.34 0.00 0.00 178.44 179.36 2bnn h LYS 16 N -0.09 0.72 -0.01 1.25 3.64 -1.50 -0.19 116.57 120.38 2bnn h LYS 16 Ca 0.02 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2bnn h LYS 16 Cb 0.25 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2bnn h LYS 16 CO 0.00 0.47 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.07 2bnn h ASP 17 N 0.74 -0.43 -0.32 4.20 3.32 -1.40 -1.53 116.42 120.99 2bnn h ASP 17 Ca 0.20 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 2bnn h ASP 17 Cb -0.08 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2bnn h ASP 17 CO -0.05 -0.21 0.02 -0.09 -1.72 0.00 0.00 179.24 177.20 2bnn h ARG 18 N -0.25 0.56 -0.61 3.56 9.65 -1.19 -1.67 114.38 124.44 2bnn h ARG 18 Ca 0.05 -0.17 0.05 0.00 -1.10 0.00 0.00 59.98 58.82 2bnn h ARG 18 Cb 0.31 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 2bnn h ARG 18 CO -0.15 0.67 0.33 -0.09 2.80 0.00 0.00 179.97 183.53 2bnn h ARG 19 N 0.37 0.60 -0.36 0.20 2.43 -0.98 -1.98 114.38 114.66 2bnn h ARG 19 Ca 0.09 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2bnn h ARG 19 Cb 0.40 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2bnn h ARG 19 CO 0.01 0.40 -0.01 0.93 -1.51 0.00 0.00 179.97 179.79 2bnn h GLU 20 N 0.62 0.57 -0.30 0.20 5.08 -1.11 -2.38 114.58 117.26 2bnn h GLU 20 Ca 0.27 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2bnn h GLU 20 Cb 0.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2bnn h GLU 20 CO -0.17 0.60 0.13 1.96 -1.00 0.00 0.00 179.01 180.52 2bnn h GLN 21 N 0.54 0.44 -0.02 2.33 1.08 -0.59 -2.45 115.11 116.45 2bnn h GLN 21 Ca 0.11 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2bnn h GLN 21 Cb 0.36 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2bnn h GLN 21 CO 0.01 0.45 0.00 1.33 -0.95 0.00 0.00 178.83 179.67 2bnn n VAL 22 N -4.75 0.03 -1.18 -0.54 0.24 -0.88 -4.90 118.33 106.36 2bnn n VAL 22 Ca -0.02 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 2bnn n VAL 22 Cb 0.13 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.26 2bnn n VAL 22 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2bnn n LYS 23 N -0.65 -0.54 -3.13 7.34 4.76 -0.92 -5.01 118.16 120.00 2bnn n LYS 23 Ca 0.15 0.66 -0.39 0.00 -2.87 0.00 0.00 58.31 55.86 2bnn n LYS 23 Cb 0.10 -4.42 -0.06 0.00 -1.84 0.00 0.00 35.03 28.82 2bnn n LYS 23 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2bnn s MET 24 N -2.28 4.36 0.60 1.97 -1.94 -0.94 -5.02 119.30 116.04 2bnn s MET 24 Ca 0.00 0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 54.90 2bnn s MET 24 Cb 0.00 -3.21 0.12 0.00 2.01 0.00 0.00 34.83 33.75 2bnn s MET 24 CO 0.00 0.58 0.82 -0.40 -0.01 0.00 0.00 175.02 176.01 2bnn n ASP 25 N 1.54 1.06 -0.11 3.03 5.68 -1.26 -4.33 116.55 122.16 2bnn n ASP 25 Ca -0.07 -1.90 -0.05 0.00 -0.50 0.00 0.00 54.79 52.27 2bnn n ASP 25 Cb 0.50 -0.54 0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2bnn n ASP 25 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2bnn h HIS 26 N -0.60 -0.08 -0.25 2.11 3.86 -1.99 -2.98 115.15 115.22 2bnn h HIS 26 Ca -0.27 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 2bnn h HIS 26 Cb 0.99 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 2bnn h HIS 26 CO 0.00 -0.10 -0.00 0.00 0.86 0.00 0.00 177.93 178.68 2bnn h ALA 27 N 1.35 0.22 -0.19 2.45 0.00 -1.95 -1.26 119.26 119.88 2bnn h ALA 27 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2bnn h ALA 27 Cb 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bnn h ALA 27 CO -0.34 -0.42 0.12 0.00 0.00 0.00 0.00 179.25 178.60 2bnn h ALA 28 N 1.22 0.24 -0.14 0.00 0.00 -1.91 -0.43 119.26 118.23 2bnn h ALA 28 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2bnn h ALA 28 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bnn h ALA 28 CO -0.20 -0.29 0.04 1.25 0.00 0.00 0.00 179.25 180.04 2bnn h LEU 29 N 0.24 0.22 -0.78 0.00 5.85 -1.50 -1.77 115.31 117.56 2bnn h LEU 29 Ca 0.07 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.69 2bnn h LEU 29 Cb -0.02 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.87 2bnn h LEU 29 CO -0.02 0.39 0.38 0.00 -0.34 0.00 0.00 178.44 178.85 2bnn h ALA 30 N 0.84 1.13 -0.07 1.25 0.00 -1.00 -1.81 119.26 119.60 2bnn h ALA 30 Ca 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2bnn h ALA 30 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bnn h ALA 30 CO 0.00 -0.09 -0.06 0.66 0.00 0.00 0.00 179.25 179.77 2bnn h SER 31 N 0.59 0.17 0.00 0.00 4.64 -0.98 0.46 113.55 118.42 2bnn h SER 31 Ca 0.41 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2bnn h SER 31 Cb 0.54 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2bnn h SER 31 CO -0.33 0.60 0.27 -0.07 -0.87 0.00 0.00 176.83 176.42 2bnn h LEU 32 N -0.27 0.00 -1.02 5.97 3.38 -0.81 -0.62 115.31 121.94 2bnn h LEU 32 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bnn h LEU 32 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2bnn h LEU 32 CO 0.01 0.00 -0.12 0.18 0.09 0.00 0.00 178.44 178.61 2bnn n LEU 33 N -2.58 1.48 -2.41 1.67 4.77 -0.73 -5.00 117.00 114.20 2bnn n LEU 33 Ca -0.02 -0.87 -0.15 0.00 -0.03 0.00 0.00 56.01 54.95 2bnn n LEU 33 Cb 0.30 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2bnn n LEU 33 CO 0.11 0.29 0.15 0.61 -1.33 0.00 0.00 177.39 177.22 2bnn n GLY 34 N 0.75 0.01 3.40 -0.72 0.00 -0.24 -5.04 105.19 103.35 2bnn n GLY 34 Ca 0.05 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2bnn n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnn s GLU 35 N -5.79 1.52 0.24 1.61 0.41 0.15 -5.02 118.70 111.82 2bnn s GLU 35 Ca 0.36 -1.81 -0.12 0.00 -0.41 0.00 0.00 54.97 52.98 2bnn s GLU 35 Cb -0.16 -0.79 -0.08 0.00 -1.78 0.00 0.00 34.13 31.32 2bnn s GLU 35 CO 0.44 -0.13 0.61 0.95 -0.49 0.00 0.00 175.26 176.64 2bnn s THR 36 N -3.32 4.83 0.55 3.63 -4.23 -1.26 -3.84 115.64 111.99 2bnn s THR 36 Ca 0.33 0.71 0.27 0.00 -1.18 0.00 0.00 61.69 61.82 2bnn s THR 36 Cb 0.07 -3.65 0.39 0.00 1.34 0.00 0.00 72.50 70.65 2bnn s THR 36 CO 0.13 -0.04 2.00 1.55 -0.54 0.00 0.00 174.62 177.71 2bnn h PRO 37 N 2.67 0.00 -0.40 3.99 0.13 -1.89 -1.92 132.00 134.58 2bnn h PRO 37 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2bnn h PRO 37 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2bnn h PRO 37 CO 0.67 0.00 0.15 0.93 -0.23 0.00 0.00 178.00 179.52 2bnn h GLU 38 N 0.00 0.60 -0.67 0.86 3.07 -1.94 -0.06 114.58 116.45 2bnn h GLU 38 Ca 0.22 -0.12 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2bnn h GLU 38 Cb 0.96 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.73 2bnn h GLU 38 CO -0.00 0.58 0.41 1.15 -1.40 0.00 0.00 179.01 179.74 2bnn h THR 39 N 0.50 1.06 -0.46 1.13 2.02 -1.75 0.33 112.91 115.74 2bnn h THR 39 Ca 0.13 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 2bnn h THR 39 Cb 0.21 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2bnn h THR 39 CO -0.01 0.14 -0.20 0.58 0.37 0.00 0.00 175.52 176.40 2bnn h VAL 40 N 0.78 1.27 -0.39 3.16 2.07 -1.34 0.23 116.25 122.03 2bnn h VAL 40 Ca 0.28 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2bnn h VAL 40 Cb 0.07 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2bnn h VAL 40 CO -0.13 0.46 0.25 0.00 0.02 0.00 0.00 177.57 178.17 2bnn h ALA 41 N 0.97 0.49 -0.34 1.67 0.00 -0.54 -1.61 119.26 119.90 2bnn h ALA 41 Ca 0.11 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2bnn h ALA 41 Cb 0.75 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2bnn h ALA 41 CO 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 179.25 179.32 2bnn h ALA 42 N 1.13 0.34 -0.64 0.00 0.00 0.10 -0.86 119.26 119.34 2bnn h ALA 42 Ca 0.14 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.24 2bnn h ALA 42 Cb -0.04 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2bnn h ALA 42 CO -0.03 -0.36 0.23 -1.49 0.00 0.00 0.00 179.25 177.60 2bnn h TRP 43 N 0.15 0.39 0.00 0.00 6.55 -0.73 0.13 115.95 122.44 2bnn h TRP 43 Ca 0.16 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.04 2bnn h TRP 43 Cb 0.20 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 2bnn h TRP 43 CO -0.20 0.07 0.00 0.39 -1.05 0.00 0.00 178.44 177.65 2bnn n GLU 44 N -5.02 0.58 -0.63 0.49 1.02 -0.61 -2.38 120.64 114.09 2bnn n GLU 44 Ca 0.10 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 2bnn n GLU 44 Cb 0.31 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.44 2bnn n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bnn n ASN 45 N -1.09 2.86 0.00 1.62 4.05 0.36 -4.72 115.26 118.35 2bnn n ASN 45 Ca 0.15 -3.50 0.00 0.00 0.45 0.00 0.00 54.58 51.68 2bnn n ASN 45 Cb 0.10 -0.59 0.00 0.00 1.23 0.00 0.00 39.78 40.53 2bnn n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bnn n GLY 46 N -0.97 0.47 1.18 8.20 0.00 -1.00 -4.95 105.19 108.12 2bnn n GLY 46 Ca 0.28 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2bnn n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bnn n GLU 47 N -2.89 3.47 -0.00 1.61 1.02 -0.64 -4.48 120.64 118.73 2bnn n GLU 47 Ca 0.00 -2.80 0.15 0.00 -0.02 0.00 0.00 57.16 54.49 2bnn n GLU 47 Cb 0.00 -1.85 0.71 0.00 -0.02 0.00 0.00 31.44 30.28 2bnn n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bnn n GLY 48 N 0.18 -0.43 0.50 0.62 0.00 -1.25 -4.46 105.19 100.34 2bnn n GLY 48 Ca 0.22 -0.34 0.35 0.00 0.00 0.00 0.00 46.02 46.25 2bnn n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bnn h GLY 49 N 4.92 0.81 -0.97 -0.02 0.00 -1.89 -2.13 103.07 103.79 2bnn h GLY 49 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2bnn h GLY 49 CO 0.00 -0.18 -0.45 1.18 0.00 0.00 0.00 176.54 177.09 2bnn n GLU 50 N -4.46 1.31 -1.74 4.80 4.71 -1.26 -4.94 120.64 119.05 2bnn n GLU 50 Ca 0.32 -0.98 -0.41 0.00 -0.01 0.00 0.00 57.16 56.08 2bnn n GLU 50 Cb 1.30 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 30.29 2bnn n GLU 50 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2bnn n LEU 51 N -0.02 4.41 -4.91 -4.62 4.77 -0.80 -4.99 117.00 110.83 2bnn n LEU 51 Ca 0.09 1.18 -0.28 0.00 -0.03 0.00 0.00 56.01 56.97 2bnn n LEU 51 Cb 0.45 -1.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.00 2bnn n LEU 51 CO 0.27 -0.21 0.54 0.42 -1.33 0.00 0.00 177.39 177.07 2bnn s THR 52 N -1.14 4.15 0.26 -5.08 -4.23 -1.26 -4.89 115.64 103.45 2bnn s THR 52 Ca 0.57 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 61.25 2bnn s THR 52 Cb -0.50 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 69.97 2bnn s THR 52 CO 0.61 -0.67 1.70 0.25 -0.54 0.00 0.00 174.62 175.97 2bnn h LEU 53 N -0.09 0.19 -0.43 4.79 5.85 -1.99 0.35 115.31 123.98 2bnn h LEU 53 Ca -0.46 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 2bnn h LEU 53 Cb 1.23 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2bnn h LEU 53 CO 0.61 0.01 -0.04 0.74 -0.34 0.00 0.00 178.44 179.42 2bnn h THR 54 N 0.36 1.27 -0.68 1.05 2.02 -1.99 -1.68 112.91 113.25 2bnn h THR 54 Ca 0.47 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 2bnn h THR 54 Cb 0.83 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2bnn h THR 54 CO -0.50 0.37 0.24 1.56 0.37 0.00 0.00 175.52 177.57 2bnn h GLN 55 N 0.62 1.03 -0.68 6.66 4.20 -1.78 -2.20 115.11 122.96 2bnn h GLN 55 Ca 0.12 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2bnn h GLN 55 Cb 0.54 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2bnn h GLN 55 CO 0.03 0.86 0.29 -0.07 -0.67 0.00 0.00 178.83 179.27 2bnn h LEU 56 N 1.00 0.90 -0.55 1.46 3.38 -0.69 -0.73 115.31 120.07 2bnn h LEU 56 Ca 0.23 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2bnn h LEU 56 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2bnn h LEU 56 CO -0.01 0.79 -0.06 1.23 0.09 0.00 0.00 178.44 180.48 2bnn h GLY 57 N 1.05 1.09 0.99 0.83 0.00 -0.99 0.10 103.07 106.14 2bnn h GLY 57 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2bnn h GLY 57 CO -0.02 0.78 0.15 -0.09 0.00 0.00 0.00 176.54 177.36 2bnn h ARG 58 N 0.89 0.32 -0.16 4.80 9.65 -1.15 0.12 114.38 128.85 2bnn h ARG 58 Ca 0.15 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2bnn h ARG 58 Cb 0.61 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2bnn h ARG 58 CO 0.04 0.23 0.10 0.82 2.80 0.00 0.00 179.97 183.95 2bnn h ILE 59 N 0.32 1.08 -0.80 1.20 2.04 -0.86 -0.89 117.51 119.60 2bnn h ILE 59 Ca 0.09 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2bnn h ILE 59 Cb -0.02 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2bnn h ILE 59 CO -0.02 0.07 0.51 0.00 0.00 0.00 0.00 178.15 178.71 2bnn h ALA 60 N 1.01 1.05 0.49 1.87 0.00 -0.66 -1.72 119.26 121.29 2bnn h ALA 60 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2bnn h ALA 60 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2bnn h ALA 60 CO -0.01 0.32 -0.24 1.25 0.00 0.00 0.00 179.25 180.58 2bnn h HIS 61 N 0.99 -0.61 -1.01 0.00 -0.00 -0.26 0.12 115.15 114.38 2bnn h HIS 61 Ca 0.32 -0.01 0.24 0.00 -0.00 0.00 0.00 60.37 60.91 2bnn h HIS 61 Cb 0.01 0.20 -0.10 0.00 -0.00 0.00 0.00 27.41 27.52 2bnn h HIS 61 CO -0.03 -0.31 0.63 0.28 -0.00 0.00 0.00 177.93 178.50 2bnn h VAL 62 N -0.82 0.58 -0.18 5.26 2.07 -1.15 0.21 116.25 122.21 2bnn h VAL 62 Ca -0.07 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2bnn h VAL 62 Cb 0.58 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2bnn h VAL 62 CO 0.11 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2bnn n LEU 63 N -4.72 1.28 -2.97 2.57 4.77 -0.65 -4.94 117.00 112.34 2bnn n LEU 63 Ca 0.25 -0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 2bnn n LEU 63 Cb 0.76 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2bnn n LEU 63 CO 0.22 0.29 -0.06 0.61 -1.33 0.00 0.00 177.39 177.12 2bnn n GLY 64 N 0.99 -0.51 0.00 -0.72 0.00 0.73 -4.94 105.19 100.73 2bnn n GLY 64 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2bnn n GLY 64 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bnn n THR 65 N -4.20 0.00 -4.14 2.61 5.66 -0.29 -5.02 114.28 108.90 2bnn n THR 65 Ca -0.11 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.62 2bnn n THR 65 Cb 0.61 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.32 2bnn n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bnn s SER 66 N 0.15 5.17 0.31 1.09 1.04 -1.26 -4.20 113.70 116.00 2bnn s SER 66 Ca 0.00 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.24 2bnn s SER 66 Cb 0.00 -1.25 0.68 0.00 0.10 0.00 0.00 66.02 65.56 2bnn s SER 66 CO 0.00 0.09 1.82 0.40 0.98 0.00 0.00 173.24 176.53 2bnn h ILE 67 N 2.30 0.82 -0.63 -1.02 2.04 -1.92 -0.95 117.51 118.15 2bnn h ILE 67 Ca -0.47 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.19 2bnn h ILE 67 Cb 1.20 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 2bnn h ILE 67 CO 0.61 0.15 0.24 1.23 0.00 0.00 0.00 178.15 180.38 2bnn h GLY 68 N 0.85 0.89 2.00 5.37 0.00 -1.94 -0.50 103.07 109.73 2bnn h GLY 68 Ca 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2bnn h GLY 68 CO -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.22 2bnn h ALA 69 N 1.43 1.00 -0.02 3.60 0.00 -1.57 -2.23 119.26 121.47 2bnn h ALA 69 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2bnn h ALA 69 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2bnn h ALA 69 CO -0.32 0.00 -0.17 1.28 0.00 0.00 0.00 179.25 180.04 2bnn n LEU 70 N -2.75 2.47 -4.38 0.00 4.77 -0.26 -4.92 117.00 111.93 2bnn n LEU 70 Ca -0.00 -0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.78 2bnn n LEU 70 Cb 0.19 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 2bnn n LEU 70 CO 0.21 0.43 -0.56 0.42 -1.33 0.00 0.00 177.39 176.56 2bnn s THR 71 N -2.01 2.27 0.79 -5.08 -4.23 -0.84 -3.78 115.64 102.76 2bnn s THR 71 Ca 0.22 -1.59 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 2bnn s THR 71 Cb 0.18 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 72.12 2bnn s THR 71 CO 0.37 0.20 1.10 -2.16 -0.54 0.00 0.00 174.62 173.59 2bnn s PRO 72 N -1.75 2.08 1.06 3.99 0.04 -1.26 -4.90 135.00 134.26 2bnn s PRO 72 Ca 0.13 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 2bnn s PRO 72 Cb -0.10 -1.87 0.23 0.00 0.04 0.00 0.00 34.50 32.79 2bnn s PRO 72 CO 0.05 -1.78 1.08 -1.25 0.04 0.00 0.00 177.00 175.13 2bnn s PRO 73 N -4.85 -0.10 0.37 0.56 0.04 -1.26 -4.96 135.00 124.79 2bnn s PRO 73 Ca 0.62 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2bnn s PRO 73 Cb -0.18 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.62 2bnn s PRO 73 CO 0.56 -3.25 1.44 0.00 0.04 0.00 0.00 177.00 175.78 2bnn n ALA 74 N -4.62 2.08 -1.00 8.56 0.00 -1.26 -4.99 120.51 119.28 2bnn n ALA 74 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2bnn n ALA 74 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2bnn n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bnn n GLY 75 N 0.59 -2.80 3.26 0.00 0.00 -1.26 -4.78 105.19 100.20 2bnn n GLY 75 Ca 0.02 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2bnn n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bnn s ASN 76 N -1.70 4.90 -0.24 1.61 3.84 -1.26 -4.05 114.94 118.03 2bnn s ASN 76 Ca 0.00 -0.94 0.14 0.00 0.21 0.00 0.00 52.86 52.26 2bnn s ASN 76 Cb 0.00 -1.79 0.64 0.00 -0.55 0.00 0.00 41.25 39.55 2bnn s ASN 76 CO 0.00 -0.21 1.59 -0.90 -2.79 0.00 0.00 177.10 174.79 2bnn n ASP 77 N 4.76 4.33 -4.92 -4.21 5.68 -1.26 -5.01 116.55 115.91 2bnn n ASP 77 Ca -0.14 -3.15 -0.27 0.00 -0.50 0.00 0.00 54.79 50.72 2bnn n ASP 77 Cb 0.46 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 2bnn n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2bnn s LEU 78 N -2.92 4.17 -0.52 -2.12 1.43 -1.26 -4.84 118.68 112.62 2bnn s LEU 78 Ca 0.48 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 2bnn s LEU 78 Cb 0.39 -3.26 0.13 0.00 0.03 0.00 0.00 46.19 43.48 2bnn s LEU 78 CO 0.10 -0.10 0.38 -0.62 0.23 0.00 0.00 176.35 176.34 2bnn s ASP 79 N -3.24 5.66 -1.49 2.29 2.15 0.37 -4.59 116.67 117.82 2bnn s ASP 79 Ca 0.40 -2.15 -0.06 0.00 0.43 0.00 0.00 52.55 51.16 2bnn s ASP 79 Cb -0.11 -1.98 0.05 0.00 -0.30 0.00 0.00 42.92 40.59 2bnn s ASP 79 CO 0.30 -0.61 0.61 0.47 -0.17 0.00 0.00 175.17 175.76 2bnn n ASP 80 N 4.56 -1.71 0.00 -0.34 8.00 -1.26 -2.33 116.55 123.47 2bnn n ASP 80 Ca -0.03 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2bnn n ASP 80 Cb 0.41 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 2bnn n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bnn n GLY 81 N -1.77 0.81 3.17 0.44 0.00 -1.26 -5.04 105.19 101.54 2bnn n GLY 81 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2bnn n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnn s VAL 82 N -3.02 1.38 -0.05 1.61 1.01 -0.98 -5.03 120.40 115.33 2bnn s VAL 82 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2bnn s VAL 82 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2bnn s VAL 82 CO 0.00 0.35 -0.13 -0.51 0.00 0.00 0.00 175.10 174.82 2bnn s ILE 83 N -0.46 1.11 0.30 2.22 2.07 -1.26 -0.48 121.20 124.70 2bnn s ILE 83 Ca 0.07 -0.51 0.10 0.00 -1.41 0.00 0.00 60.65 58.89 2bnn s ILE 83 Cb -0.07 -0.99 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 2bnn s ILE 83 CO -0.00 0.34 -0.05 0.27 -1.91 0.00 0.00 174.94 173.59 2bnn s ILE 84 N 0.32 2.85 -0.05 2.00 -4.36 -1.26 -5.01 121.20 115.69 2bnn s ILE 84 Ca -0.07 -2.07 -0.02 0.00 -0.26 0.00 0.00 60.65 58.23 2bnn s ILE 84 Cb -0.12 -2.69 0.04 0.00 1.25 0.00 0.00 42.46 40.94 2bnn s ILE 84 CO 0.02 -0.31 0.10 -1.58 0.24 0.00 0.00 174.94 173.41 2bnn s GLN 85 N -3.65 0.03 0.17 0.37 0.74 -1.26 -5.01 119.66 111.06 2bnn s GLN 85 Ca 0.32 0.30 -0.04 0.00 0.05 0.00 0.00 55.36 55.99 2bnn s GLN 85 Cb -0.03 -0.22 -0.05 0.00 1.10 0.00 0.00 33.01 33.81 2bnn s GLN 85 CO 0.18 -0.17 0.40 -1.64 -0.55 0.00 0.00 175.29 173.51 2bnn s MET 86 N 1.17 3.60 0.44 1.67 -1.94 -1.26 -4.97 119.30 118.01 2bnn s MET 86 Ca -0.09 -0.12 0.13 0.00 -1.71 0.00 0.00 55.69 53.90 2bnn s MET 86 Cb -0.12 -2.82 1.01 0.00 2.01 0.00 0.00 34.83 34.91 2bnn s MET 86 CO -0.05 0.42 2.01 -1.35 -0.01 0.00 0.00 175.02 176.04 2bnn h PRO 87 N 2.51 0.40 -0.45 2.03 0.11 -2.01 -1.45 132.00 133.15 2bnn h PRO 87 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2bnn h PRO 87 Cb 1.17 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2bnn h PRO 87 CO 0.71 0.27 0.30 0.38 -0.21 0.00 0.00 178.00 179.44 2bnn h ASP 88 N 0.41 0.36 -0.19 -2.05 2.03 -2.03 -3.21 116.42 111.74 2bnn h ASP 88 Ca 0.23 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 2bnn h ASP 88 Cb 0.38 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2bnn h ASP 88 CO -0.06 0.24 0.00 -0.62 -1.03 0.00 0.00 179.24 177.77 2bnn n GLU 89 N -4.48 1.69 -2.11 4.15 1.02 -0.54 -4.92 120.64 115.44 2bnn n GLU 89 Ca 0.05 -1.04 -0.42 0.00 -0.02 0.00 0.00 57.16 55.73 2bnn n GLU 89 Cb 0.21 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 2bnn n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bnn s ARG 90 N -1.75 4.24 0.17 3.49 0.52 -1.22 -4.98 118.95 119.41 2bnn s ARG 90 Ca 0.30 2.09 -0.34 0.00 -0.52 0.00 0.00 55.73 57.26 2bnn s ARG 90 Cb 0.16 -3.66 -0.14 0.00 0.52 0.00 0.00 34.95 31.82 2bnn s ARG 90 CO 0.23 -0.67 1.48 -2.30 0.02 0.00 0.00 175.30 174.06 2bnn n PRO 91 N 5.80 1.91 -4.65 3.54 -0.02 -1.26 -4.79 135.00 135.53 2bnn n PRO 91 Ca 0.15 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 2bnn n PRO 91 Cb 0.43 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 2bnn n PRO 91 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2bnn s ILE 92 N 0.57 2.96 0.02 4.25 1.01 -1.26 -0.52 121.20 128.24 2bnn s ILE 92 Ca 0.77 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.76 2bnn s ILE 92 Cb -0.73 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2bnn s ILE 92 CO 0.43 0.51 -0.06 -0.76 0.00 0.00 0.00 174.94 175.06 2bnn s LEU 93 N 0.55 2.16 0.37 2.97 1.43 -0.32 -5.01 118.68 120.84 2bnn s LEU 93 Ca -0.08 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2bnn s LEU 93 Cb -0.16 -0.18 -0.09 0.00 0.03 0.00 0.00 46.19 45.79 2bnn s LEU 93 CO 0.04 -0.11 0.81 -0.54 0.23 0.00 0.00 176.35 176.78 2bnn s LYS 94 N -1.02 4.05 -0.38 1.70 1.02 -1.26 -0.49 119.74 123.36 2bnn s LYS 94 Ca -0.06 0.80 0.03 0.00 0.02 0.00 0.00 55.97 56.76 2bnn s LYS 94 Cb -0.07 -2.34 0.11 0.00 -0.52 0.00 0.00 37.83 35.01 2bnn s LYS 94 CO 0.00 0.06 0.10 0.20 -0.92 0.00 0.00 175.35 174.80 2bnn s GLY 95 N -2.37 1.94 -0.17 -3.33 0.00 0.67 -4.85 107.32 99.22 2bnn s GLY 95 Ca 0.56 -2.60 -0.04 0.00 0.00 0.00 0.00 44.72 42.65 2bnn s GLY 95 CO 0.18 1.04 -0.04 0.14 0.00 0.00 0.00 173.10 174.42 2bnn s VAL 96 N 0.71 3.75 -0.13 1.40 1.01 -1.26 -0.65 120.40 125.23 2bnn s VAL 96 Ca 0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2bnn s VAL 96 Cb -0.20 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 2bnn s VAL 96 CO -0.08 0.47 -0.16 0.54 0.00 0.00 0.00 175.10 175.87 2bnn n ARG 97 N 3.83 0.28 0.00 2.72 1.74 -1.11 -4.96 116.66 119.16 2bnn n ARG 97 Ca -0.17 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2bnn n ARG 97 Cb 0.52 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2bnn n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2bnn n ASP 98 N -3.51 0.00 -1.17 0.55 9.92 -1.26 -4.90 116.55 116.18 2bnn n ASP 98 Ca -0.26 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.11 2bnn n ASP 98 Cb 0.69 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 41.44 2bnn n ASP 98 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2bnn n ASN 99 N 0.00 3.63 -4.71 -2.24 2.85 -1.26 -5.00 115.26 108.53 2bnn n ASN 99 Ca 0.00 -1.98 -0.37 0.00 -0.11 0.00 0.00 54.58 52.12 2bnn n ASN 99 Cb 0.00 -0.38 -0.07 0.00 1.24 0.00 0.00 39.78 40.57 2bnn n ASN 99 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2bnn s VAL 100 N -1.10 5.27 -0.90 3.44 1.01 -1.26 -5.00 120.40 121.85 2bnn s VAL 100 Ca 0.42 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.78 2bnn s VAL 100 Cb 0.22 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2bnn s VAL 100 CO 0.30 0.34 1.83 -0.62 0.00 0.00 0.00 175.10 176.94 2bnn s ASP 101 N 0.67 5.44 -0.16 3.32 -1.08 -1.26 -2.76 116.67 120.84 2bnn s ASP 101 Ca 0.18 -0.73 -0.16 0.00 -0.52 0.00 0.00 52.55 51.32 2bnn s ASP 101 Cb -0.14 -2.56 -0.13 0.00 -1.46 0.00 0.00 42.92 38.64 2bnn s ASP 101 CO 0.06 -2.45 0.15 1.88 0.52 0.00 0.00 175.17 175.32 2bnn h TYR 102 N 11.29 0.00 -3.15 -5.34 -1.99 -1.26 -3.43 116.97 113.09 2bnn h TYR 102 Ca 0.08 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.20 2bnn h TYR 102 Cb 1.02 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.57 2bnn h TYR 102 CO 1.21 0.75 -0.80 0.71 -0.00 0.00 0.00 178.16 180.03 2bnn s TYR 103 N -2.19 2.13 -0.23 4.88 4.12 -0.73 -2.55 117.35 122.79 2bnn s TYR 103 Ca -0.19 -0.39 0.02 0.00 0.02 0.00 0.00 57.07 56.53 2bnn s TYR 103 Cb 0.03 -1.05 0.04 0.00 -1.52 0.00 0.00 41.96 39.46 2bnn s TYR 103 CO 0.41 0.46 -0.14 0.08 0.02 0.00 0.00 175.55 176.38 2bnn s VAL 104 N -1.86 2.16 -0.34 0.71 1.01 -0.73 -0.24 120.40 121.12 2bnn s VAL 104 Ca 0.20 -1.36 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 2bnn s VAL 104 Cb -0.07 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2bnn s VAL 104 CO 0.09 0.19 0.87 -0.31 0.00 0.00 0.00 175.10 175.94 2bnn s TYR 105 N 1.18 3.14 -0.38 5.22 1.51 0.36 -0.90 117.35 127.48 2bnn s TYR 105 Ca -0.03 0.80 -0.13 0.00 -1.01 0.00 0.00 57.07 56.70 2bnn s TYR 105 Cb -0.17 -3.44 0.01 0.00 -0.11 0.00 0.00 41.96 38.25 2bnn s TYR 105 CO -0.08 -0.70 0.25 -0.80 -1.11 0.00 0.00 175.55 173.11 2bnn s ASN 106 N 1.74 5.95 -0.19 2.29 0.01 0.35 -1.18 114.94 123.91 2bnn s ASN 106 Ca 0.36 -0.82 -0.27 0.00 -0.71 0.00 0.00 52.86 51.42 2bnn s ASN 106 Cb -0.13 -2.10 -0.00 0.00 0.41 0.00 0.00 41.25 39.42 2bnn s ASN 106 CO 0.15 -0.38 0.93 0.00 -1.51 0.00 0.00 177.10 176.30 2bnn n LEU 108 N 5.72 0.00 -4.76 0.00 4.77 -0.74 -4.01 117.00 117.98 2bnn n LEU 108 Ca 0.08 -0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 2bnn n LEU 108 Cb 0.48 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2bnn n LEU 108 CO 0.50 -0.81 1.09 0.55 -1.33 0.00 0.00 177.39 177.38 2bnn n VAL 109 N -2.36 2.08 -4.23 4.08 3.14 -1.26 -4.76 118.33 115.02 2bnn n VAL 109 Ca 0.08 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.83 2bnn n VAL 109 Cb 0.29 -1.89 -0.10 0.00 -1.06 0.00 0.00 33.84 31.08 2bnn n VAL 109 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2bnn s ARG 110 N -2.10 1.10 -0.20 1.45 0.52 -1.26 -4.44 118.95 114.01 2bnn s ARG 110 Ca 0.54 -1.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.05 2bnn s ARG 110 Cb -0.49 -0.18 0.05 0.00 0.52 0.00 0.00 34.95 34.85 2bnn s ARG 110 CO 0.63 -0.16 0.53 -0.08 0.02 0.00 0.00 175.30 176.24 2bnn s THR 111 N -3.73 -0.00 -0.75 0.02 -1.32 -1.26 -5.01 115.64 103.58 2bnn s THR 111 Ca 0.25 0.01 0.11 0.00 -1.21 0.00 0.00 61.69 60.85 2bnn s THR 111 Cb 0.06 -0.75 0.11 0.00 -1.51 0.00 0.00 72.50 70.41 2bnn s THR 111 CO 0.04 0.00 1.35 0.29 -2.21 0.00 0.00 174.62 174.09 2bnn n LYS 112 N 3.03 0.06 0.02 7.08 5.02 -1.26 -1.76 118.16 130.34 2bnn n LYS 112 Ca -0.15 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 2bnn n LYS 112 Cb 0.56 -1.65 0.42 0.00 -0.02 0.00 0.00 35.03 34.34 2bnn n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bnn n ARG 113 N -1.76 0.07 -2.97 1.97 5.12 -1.26 -4.14 116.66 113.69 2bnn n ARG 113 Ca 0.01 0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.81 2bnn n ARG 113 Cb 0.08 -1.56 -0.01 0.00 -1.16 0.00 0.00 32.46 29.80 2bnn n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bnn n ALA 114 N -1.58 0.45 -0.29 7.54 0.00 -0.72 -5.03 120.51 120.89 2bnn n ALA 114 Ca 0.06 -2.36 0.27 0.00 0.00 0.00 0.00 53.44 51.41 2bnn n ALA 114 Cb 0.36 -1.08 0.62 0.00 0.00 0.00 0.00 19.45 19.35 2bnn n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bnn h PRO 115 N 4.06 0.20 0.00 0.00 0.11 -1.69 -1.22 132.00 133.46 2bnn h PRO 115 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2bnn h PRO 115 Cb 0.96 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2bnn h PRO 115 CO 0.38 0.13 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 2bnn h SER 116 N 0.21 0.00 -2.52 -2.05 4.64 -1.93 -3.43 113.55 108.47 2bnn h SER 116 Ca 0.55 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.31 2bnn h SER 116 Cb 1.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 2bnn h SER 116 CO -0.15 0.00 1.21 -0.22 -0.87 0.00 0.00 176.83 176.80 2bnn s LEU 117 N -5.18 4.01 -0.37 5.97 2.96 -0.46 -3.64 118.68 121.96 2bnn s LEU 117 Ca 0.06 2.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.99 2bnn s LEU 117 Cb 0.09 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.40 2bnn s LEU 117 CO 0.55 -1.28 0.24 -0.69 -1.32 0.00 0.00 176.35 173.85 2bnn s VAL 118 N 5.38 0.31 0.29 1.68 1.01 0.14 -4.69 120.40 124.51 2bnn s VAL 118 Ca 0.81 -1.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 2bnn s VAL 118 Cb -0.32 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.75 2bnn s VAL 118 CO 0.33 -1.02 0.65 -2.16 0.00 0.00 0.00 175.10 172.90 2bnn s PRO 119 N 0.82 3.89 -0.13 2.72 0.04 -1.26 -1.58 135.00 139.50 2bnn s PRO 119 Ca 0.21 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.54 2bnn s PRO 119 Cb -0.18 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 31.87 2bnn s PRO 119 CO -0.03 0.21 0.47 -0.51 0.04 0.00 0.00 177.00 177.18 2bnn s LEU 120 N -2.98 0.22 -0.26 -3.56 1.43 0.17 -1.79 118.68 111.92 2bnn s LEU 120 Ca 0.51 0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 54.17 2bnn s LEU 120 Cb -0.11 1.66 -0.02 0.00 0.03 0.00 0.00 46.19 47.76 2bnn s LEU 120 CO 0.20 -0.27 0.61 -0.69 0.23 0.00 0.00 176.35 176.43 2bnn s VAL 121 N -0.22 5.00 -0.31 -1.59 1.01 -0.55 0.10 120.40 123.84 2bnn s VAL 121 Ca -0.04 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.95 2bnn s VAL 121 Cb -0.03 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.43 2bnn s VAL 121 CO 0.02 0.03 0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2bnn s VAL 122 N 2.48 4.25 -0.31 2.92 1.01 0.92 -0.49 120.40 131.18 2bnn s VAL 122 Ca 0.25 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 2bnn s VAL 122 Cb -0.15 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2bnn s VAL 122 CO 0.09 0.03 1.02 -1.81 0.00 0.00 0.00 175.10 174.43 2bnn s ASP 123 N 1.54 6.90 -0.50 3.32 1.01 -0.08 -1.30 116.67 127.57 2bnn s ASP 123 Ca 0.03 1.01 -0.17 0.00 0.71 0.00 0.00 52.55 54.13 2bnn s ASP 123 Cb -0.17 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.31 2bnn s ASP 123 CO 0.04 -0.81 0.52 -0.69 0.21 0.00 0.00 175.17 174.44 2bnn s VAL 124 N 3.47 5.05 -0.07 -1.27 1.01 0.36 -1.77 120.40 127.18 2bnn s VAL 124 Ca 0.43 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 2bnn s VAL 124 Cb -0.13 -4.23 -0.29 0.00 0.00 0.00 0.00 36.38 31.73 2bnn s VAL 124 CO 0.14 -0.72 0.63 -0.07 0.00 0.00 0.00 175.10 175.07 2bnn h LEU 125 N 9.24 0.53 -9.99 3.92 3.38 -1.77 -2.23 115.31 118.40 2bnn h LEU 125 Ca -0.28 -0.91 -0.47 0.00 0.09 0.00 0.00 57.88 56.30 2bnn h LEU 125 Cb 1.10 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.69 2bnn h LEU 125 CO 0.94 1.73 0.39 0.28 0.09 0.00 0.00 178.44 181.86 2bnn s THR 126 N -2.54 3.88 -0.04 0.22 -1.32 -1.26 -4.55 115.64 110.03 2bnn s THR 126 Ca -0.17 1.37 0.20 0.00 -1.21 0.00 0.00 61.69 61.88 2bnn s THR 126 Cb 0.05 -3.67 0.38 0.00 -1.51 0.00 0.00 72.50 67.75 2bnn s THR 126 CO 0.82 -0.06 1.16 -0.90 -2.21 0.00 0.00 174.62 173.43 2bnn n ASP 127 N -0.23 1.08 -4.04 8.08 5.75 -1.26 -1.00 116.55 124.93 2bnn n ASP 127 Ca 0.06 -2.40 -0.32 0.00 -0.01 0.00 0.00 54.79 52.11 2bnn n ASP 127 Cb 0.51 -0.34 -0.14 0.00 -1.03 0.00 0.00 41.12 40.12 2bnn n ASP 127 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bnn s ASN 128 N -2.17 4.87 0.61 -1.12 2.47 -1.26 -1.75 114.94 116.59 2bnn s ASN 128 Ca 0.31 -2.10 0.30 0.00 0.42 0.00 0.00 52.86 51.79 2bnn s ASN 128 Cb 0.34 -1.67 1.61 0.00 -1.45 0.00 0.00 41.25 40.09 2bnn s ASN 128 CO -0.13 -0.41 1.99 -0.65 -3.72 0.00 0.00 177.10 174.18 2bnn h PRO 129 N 7.71 0.00 -0.40 0.43 0.11 -1.94 -1.32 132.00 136.60 2bnn h PRO 129 Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2bnn h PRO 129 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2bnn h PRO 129 CO 0.56 0.00 0.11 -0.44 -0.21 0.00 0.00 178.00 178.01 2bnn h ASP 130 N 0.00 0.54 -0.84 -2.05 5.19 -1.98 -2.38 116.42 114.89 2bnn h ASP 130 Ca 0.11 -0.07 -0.33 0.00 -0.62 0.00 0.00 57.03 56.12 2bnn h ASP 130 Cb 0.78 -0.14 -0.20 0.00 0.18 0.00 0.00 39.33 39.95 2bnn h ASP 130 CO -0.00 0.54 0.42 0.47 -3.12 0.00 0.00 179.24 177.54 2bnn n ASP 131 N -4.33 4.47 -4.77 6.45 8.00 -0.50 -4.97 116.55 120.90 2bnn n ASP 131 Ca 0.02 -3.36 -0.41 0.00 0.71 0.00 0.00 54.79 51.76 2bnn n ASP 131 Cb 0.19 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 2bnn n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bnn s ALA 132 N -3.09 3.60 -0.22 2.24 0.00 -0.90 -4.98 121.76 118.42 2bnn s ALA 132 Ca 0.56 1.49 0.01 0.00 0.00 0.00 0.00 51.96 54.02 2bnn s ALA 132 Cb 0.45 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 20.02 2bnn s ALA 132 CO 0.13 -0.93 -0.14 0.21 0.00 0.00 0.00 175.76 175.03 2bnn s LYS 133 N -1.51 2.76 0.34 0.00 2.20 -1.26 -5.06 119.74 117.21 2bnn s LYS 133 Ca 0.55 -1.00 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 2bnn s LYS 133 Cb -0.45 -2.76 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 2bnn s LYS 133 CO 0.56 -0.35 1.06 -0.06 -0.36 0.00 0.00 175.35 176.19 2bnn s PHE 134 N 1.25 3.46 0.24 4.03 0.40 -1.26 -4.61 117.98 121.49 2bnn s PHE 134 Ca 0.00 1.69 -0.04 0.00 -0.60 0.00 0.00 56.93 57.98 2bnn s PHE 134 Cb -0.16 -3.17 0.06 0.00 0.51 0.00 0.00 43.02 40.25 2bnn s PHE 134 CO -0.09 -0.49 0.33 0.27 0.70 0.00 0.00 175.22 175.94 2bnn n ASN 135 N 0.57 0.07 -1.47 1.36 0.23 -1.12 -4.98 115.26 109.93 2bnn n ASN 135 Ca 0.02 -1.15 -0.08 0.00 -0.53 0.00 0.00 54.58 52.84 2bnn n ASN 135 Cb 0.47 -0.25 0.21 0.00 -2.08 0.00 0.00 39.78 38.13 2bnn n ASN 135 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2bnn n SER 136 N -3.19 3.07 -0.49 0.53 3.41 -1.26 -4.36 113.62 111.34 2bnn n SER 136 Ca 0.04 -3.64 0.05 0.00 -0.26 0.00 0.00 58.87 55.06 2bnn n SER 136 Cb 0.15 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 2bnn n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bnn n GLY 137 N -1.02 -2.94 3.30 5.00 0.00 -1.26 -4.60 105.19 103.67 2bnn n GLY 137 Ca 0.40 -1.29 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 2bnn n GLY 137 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bnn s HIS 138 N -3.61 1.55 0.14 1.61 -3.43 -1.26 -4.80 115.29 105.49 2bnn s HIS 138 Ca 0.00 -1.45 -0.18 0.00 -0.80 0.00 0.00 55.06 52.64 2bnn s HIS 138 Cb 0.00 -0.76 -0.02 0.00 -1.43 0.00 0.00 32.58 30.37 2bnn s HIS 138 CO 0.00 -0.63 1.79 0.00 -2.00 0.00 0.00 174.74 173.90 2bnn h ALA 139 N 2.27 0.41 -2.34 -1.38 0.00 -1.97 0.24 119.26 116.49 2bnn h ALA 139 Ca -0.32 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.06 2bnn h ALA 139 Cb 1.25 -0.13 0.05 0.00 0.00 0.00 0.00 17.79 18.96 2bnn h ALA 139 CO 0.48 -0.12 0.34 0.20 0.00 0.00 0.00 179.25 180.15 2bnn s GLY 140 N -2.50 1.64 0.65 0.00 0.00 -1.26 -4.56 107.32 101.28 2bnn s GLY 140 Ca -0.13 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 2bnn s GLY 140 CO 0.71 0.06 1.13 -1.31 0.00 0.00 0.00 173.10 173.69 2bnn s ASN 141 N -4.10 5.07 -0.05 1.64 0.01 -0.85 -3.92 114.94 112.74 2bnn s ASN 141 Ca 0.53 2.11 -0.00 0.00 -0.71 0.00 0.00 52.86 54.79 2bnn s ASN 141 Cb -0.11 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.01 2bnn s ASN 141 CO 0.51 -1.66 -0.00 -0.70 -1.51 0.00 0.00 177.10 173.73 2bnn s GLU 142 N -3.88 0.47 -0.09 -0.60 2.12 0.14 -0.88 118.70 115.99 2bnn s GLU 142 Ca 0.70 0.09 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 2bnn s GLU 142 Cb -0.23 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.37 2bnn s GLU 142 CO 0.39 -0.21 0.27 0.12 -0.54 0.00 0.00 175.26 175.28 2bnn s PHE 143 N 1.51 3.62 0.03 5.30 5.36 0.23 -0.23 117.98 133.79 2bnn s PHE 143 Ca -0.02 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.66 2bnn s PHE 143 Cb -0.13 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2bnn s PHE 143 CO -0.03 0.60 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.77 2bnn s LEU 144 N -0.73 2.21 -0.04 6.12 1.02 0.16 0.51 118.68 127.93 2bnn s LEU 144 Ca 0.18 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.86 2bnn s LEU 144 Cb -0.14 -0.07 0.03 0.00 0.02 0.00 0.00 46.19 46.04 2bnn s LEU 144 CO 0.07 -0.20 0.08 0.12 0.02 0.00 0.00 176.35 176.44 2bnn s PHE 145 N -1.22 -0.05 -0.56 0.29 5.36 -0.34 -0.08 117.98 121.38 2bnn s PHE 145 Ca -0.11 0.27 -0.28 0.00 -0.96 0.00 0.00 56.93 55.85 2bnn s PHE 145 Cb -0.09 -0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 2bnn s PHE 145 CO -0.00 -0.12 1.20 0.08 -1.46 0.00 0.00 175.22 174.92 2bnn s VAL 146 N 1.03 4.03 -0.08 3.12 1.01 -0.10 -1.08 120.40 128.33 2bnn s VAL 146 Ca -0.08 0.94 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 2bnn s VAL 146 Cb -0.11 -4.68 -0.29 0.00 0.00 0.00 0.00 36.38 31.30 2bnn s VAL 146 CO -0.04 -1.27 0.65 0.25 0.00 0.00 0.00 175.10 174.69 2bnn h LEU 147 N 11.89 0.42 -7.65 3.92 6.46 -1.31 0.23 115.31 129.27 2bnn h LEU 147 Ca -0.25 -0.88 -0.16 0.00 -0.12 0.00 0.00 57.88 56.47 2bnn h LEU 147 Cb 1.06 -0.14 -0.23 0.00 -0.73 0.00 0.00 40.66 40.62 2bnn h LEU 147 CO 1.18 1.57 -0.50 -1.61 -0.62 0.00 0.00 178.44 178.45 2bnn s GLU 148 N -2.47 0.35 2.81 1.25 2.02 -1.14 -4.83 118.70 116.69 2bnn s GLU 148 Ca -0.18 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2bnn s GLU 148 Cb 0.04 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2bnn s GLU 148 CO 0.79 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2bnn n GLY 149 N 2.18 -0.62 2.95 -1.39 0.00 -1.26 -0.39 105.19 106.66 2bnn n GLY 149 Ca -0.18 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 2bnn n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bnn s GLU 150 N 0.00 0.41 -0.04 1.61 2.12 -1.26 -1.83 118.70 119.71 2bnn s GLU 150 Ca 0.00 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.20 2bnn s GLU 150 Cb 0.00 -0.40 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 2bnn s GLU 150 CO 0.00 0.10 -0.15 0.42 -0.54 0.00 0.00 175.26 175.09 2bnn s ILE 151 N -0.07 3.04 -0.38 -3.70 -1.09 0.18 -1.11 121.20 118.07 2bnn s ILE 151 Ca 0.01 -0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 57.59 2bnn s ILE 151 Cb -0.02 -2.20 0.07 0.00 -1.58 0.00 0.00 42.46 38.73 2bnn s ILE 151 CO -0.00 0.56 0.17 -2.28 -1.23 0.00 0.00 174.94 172.16 2bnn s HIS 152 N -0.76 3.35 -0.10 3.97 5.65 0.10 0.20 115.29 127.71 2bnn s HIS 152 Ca 0.12 -1.69 -0.05 0.00 0.25 0.00 0.00 55.06 53.69 2bnn s HIS 152 Cb -0.11 -2.70 -0.04 0.00 -1.18 0.00 0.00 32.58 28.56 2bnn s HIS 152 CO 0.01 -0.83 0.09 1.41 -0.65 0.00 0.00 174.74 174.78 2bnn s MET 153 N 1.35 3.26 0.02 2.88 1.75 0.46 -1.84 119.30 127.18 2bnn s MET 153 Ca 0.02 -0.25 0.06 0.00 -1.25 0.00 0.00 55.69 54.26 2bnn s MET 153 Cb -0.21 -3.03 -0.02 0.00 2.84 0.00 0.00 34.83 34.40 2bnn s MET 153 CO 0.01 0.74 -0.18 0.15 -0.65 0.00 0.00 175.02 175.09 2bnn s LYS 154 N -1.06 1.28 0.18 4.11 1.02 0.09 -1.12 119.74 124.25 2bnn s LYS 154 Ca 0.15 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.27 2bnn s LYS 154 Cb -0.12 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2bnn s LYS 154 CO 0.05 0.34 0.33 1.67 -0.92 0.00 0.00 175.35 176.81 2bnn s TRP 155 N -0.66 0.39 0.00 3.18 -2.14 -0.42 -0.63 118.94 118.67 2bnn s TRP 155 Ca 0.06 -0.75 0.00 0.00 2.66 0.00 0.00 56.10 58.07 2bnn s TRP 155 Cb -0.08 -0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.28 2bnn s TRP 155 CO 0.01 -0.77 0.00 0.41 -2.66 0.00 0.00 176.95 173.93 2bnn n GLY 156 N -0.25 0.63 3.62 3.67 0.00 -0.66 -0.96 105.19 111.24 2bnn n GLY 156 Ca -0.06 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2bnn n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bnn s ASP 157 N -4.00 6.44 0.57 1.61 2.15 -1.26 -4.55 116.67 117.63 2bnn s ASP 157 Ca 0.00 1.36 0.26 0.00 0.43 0.00 0.00 52.55 54.60 2bnn s ASP 157 Cb 0.00 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.69 2bnn s ASP 157 CO 0.00 -1.25 2.14 0.07 -0.17 0.00 0.00 175.17 175.97 2bnn h LYS 158 N 10.36 0.00 -0.47 4.34 2.10 -1.96 0.11 116.57 131.06 2bnn h LYS 158 Ca -0.30 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.28 2bnn h LYS 158 Cb 1.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 2bnn h LYS 158 CO 1.02 0.00 0.04 0.93 -2.00 0.00 0.00 179.45 179.44 2bnn h GLU 159 N 0.00 0.80 -2.08 0.07 4.39 -1.99 -3.38 114.58 112.39 2bnn h GLU 159 Ca 0.06 -0.24 -0.56 0.00 0.34 0.00 0.00 59.36 58.96 2bnn h GLU 159 Cb 0.31 -0.08 -0.38 0.00 -0.10 0.00 0.00 28.75 28.50 2bnn h GLU 159 CO -0.00 0.83 -1.05 -1.71 -1.16 0.00 0.00 179.01 175.92 2bnn n ASN 160 N -4.40 -0.12 -4.85 1.42 4.05 -0.11 -5.14 115.26 106.11 2bnn n ASN 160 Ca 0.01 -2.59 -0.32 0.00 0.45 0.00 0.00 54.58 52.13 2bnn n ASN 160 Cb 0.28 -0.56 0.00 0.00 1.23 0.00 0.00 39.78 40.74 2bnn n ASN 160 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2bnn s PRO 161 N -0.73 3.59 0.55 1.20 0.04 0.19 -4.42 135.00 135.43 2bnn s PRO 161 Ca 0.34 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 2bnn s PRO 161 Cb 0.13 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2bnn s PRO 161 CO -0.14 -0.58 0.97 0.15 0.04 0.00 0.00 177.00 177.45 2bnn s LYS 162 N -4.70 3.74 0.05 4.56 -0.14 -0.13 -4.91 119.74 118.21 2bnn s LYS 162 Ca 0.58 0.76 -0.07 0.00 -1.36 0.00 0.00 55.97 55.88 2bnn s LYS 162 Cb -0.12 -2.15 -0.01 0.00 -1.68 0.00 0.00 37.83 33.88 2bnn s LYS 162 CO 0.45 -0.39 0.13 -1.21 -0.76 0.00 0.00 175.35 173.58 2bnn s GLU 163 N -4.63 0.67 -0.20 1.68 2.02 -1.26 -1.30 118.70 115.68 2bnn s GLU 163 Ca 0.56 -0.79 -0.11 0.00 0.02 0.00 0.00 54.97 54.64 2bnn s GLU 163 Cb -0.10 0.27 0.06 0.00 0.10 0.00 0.00 34.13 34.46 2bnn s GLU 163 CO 0.43 -0.18 0.49 0.00 0.02 0.00 0.00 175.26 176.02 2bnn s ALA 164 N -2.93 -1.29 -0.27 5.21 0.00 -0.27 -5.00 121.76 117.21 2bnn s ALA 164 Ca -0.02 1.78 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 2bnn s ALA 164 Cb 0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2bnn s ALA 164 CO -0.06 -0.30 0.59 -0.51 0.00 0.00 0.00 175.76 175.49 2bnn s LEU 165 N 1.43 4.07 -0.18 0.00 2.01 -1.26 -0.41 118.68 124.35 2bnn s LEU 165 Ca -0.09 0.60 0.01 0.00 0.01 0.00 0.00 54.13 54.65 2bnn s LEU 165 Cb -0.07 -2.79 0.03 0.00 0.01 0.00 0.00 46.19 43.37 2bnn s LEU 165 CO -0.14 -0.36 -0.12 -0.76 1.01 0.00 0.00 176.35 175.97 2bnn s LEU 166 N 2.46 2.05 0.78 1.79 1.43 0.13 -4.96 118.68 122.36 2bnn s LEU 166 Ca 0.24 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 2bnn s LEU 166 Cb -0.15 -1.22 0.08 0.00 0.03 0.00 0.00 46.19 44.92 2bnn s LEU 166 CO 0.09 -0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.54 2bnn s PRO 167 N 1.43 2.02 -0.10 1.29 0.04 -1.26 0.52 135.00 138.94 2bnn s PRO 167 Ca 0.01 -0.00 -0.39 0.00 0.04 0.00 0.00 61.00 60.67 2bnn s PRO 167 Cb -0.15 -2.01 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 2bnn s PRO 167 CO -0.09 -1.50 1.53 2.41 0.04 0.00 0.00 177.00 179.39 2bnn n THR 168 N -3.20 0.15 0.00 1.26 -1.04 -0.76 -1.31 114.28 109.38 2bnn n THR 168 Ca 0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2bnn n THR 168 Cb 0.61 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2bnn n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bnn n GLY 169 N 3.33 1.20 3.76 3.41 0.00 0.07 -5.02 105.19 111.94 2bnn n GLY 169 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 2bnn n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bnn s ALA 170 N -2.34 2.59 0.04 4.61 0.00 -0.42 -4.76 121.76 121.48 2bnn s ALA 170 Ca 0.00 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.95 2bnn s ALA 170 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2bnn s ALA 170 CO 0.00 -1.03 -0.14 -1.54 0.00 0.00 0.00 175.76 173.05 2bnn s SER 171 N -1.67 1.68 0.09 0.00 1.04 -1.26 -0.92 113.70 112.65 2bnn s SER 171 Ca 0.76 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.75 2bnn s SER 171 Cb -0.28 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 2bnn s SER 171 CO 0.31 0.04 -0.06 0.00 0.98 0.00 0.00 173.24 174.51 2bnn s MET 172 N -1.11 0.78 -0.08 4.02 0.23 0.88 -4.99 119.30 119.05 2bnn s MET 172 Ca 0.02 -1.28 0.03 0.00 -1.03 0.00 0.00 55.69 53.43 2bnn s MET 172 Cb -0.08 -0.16 0.01 0.00 -1.53 0.00 0.00 34.83 33.07 2bnn s MET 172 CO 0.01 -0.02 -0.16 0.12 -2.03 0.00 0.00 175.02 172.93 2bnn s PHE 173 N -3.49 1.84 -0.22 3.16 5.36 -1.26 -0.66 117.98 122.70 2bnn s PHE 173 Ca 0.10 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.38 2bnn s PHE 173 Cb 0.04 -1.29 0.04 0.00 -0.34 0.00 0.00 43.02 41.47 2bnn s PHE 173 CO -0.05 -0.32 -0.14 0.08 -1.46 0.00 0.00 175.22 173.33 2bnn s VAL 174 N 0.52 2.22 0.72 3.12 1.01 0.68 -5.00 120.40 123.67 2bnn s VAL 174 Ca -0.15 -1.25 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 2bnn s VAL 174 Cb -0.16 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2bnn s VAL 174 CO 0.05 0.25 1.16 -0.70 0.00 0.00 0.00 175.10 175.87 2bnn s GLU 175 N 1.21 2.31 0.76 2.72 2.12 -1.26 -0.68 118.70 125.88 2bnn s GLU 175 Ca -0.02 1.60 -0.15 0.00 0.36 0.00 0.00 54.97 56.76 2bnn s GLU 175 Cb -0.17 -1.87 0.03 0.00 0.26 0.00 0.00 34.13 32.38 2bnn s GLU 175 CO -0.08 -1.67 0.99 -0.85 -0.54 0.00 0.00 175.26 173.11 2bnn n GLU 176 N -2.72 0.38 -0.28 4.30 0.28 -1.25 -2.51 120.64 118.83 2bnn n GLU 176 Ca 0.12 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2bnn n GLU 176 Cb 0.51 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 31.13 2bnn n GLU 176 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2bnn n HIS 177 N -2.77 0.00 -2.33 -1.84 8.25 0.85 -4.91 115.22 112.46 2bnn n HIS 177 Ca 0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 2bnn n HIS 177 Cb 0.50 -1.22 -0.02 0.00 1.12 0.00 0.00 29.99 30.37 2bnn n HIS 177 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2bnn s VAL 178 N -0.88 4.08 0.37 1.59 1.01 -1.05 -4.27 120.40 121.25 2bnn s VAL 178 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 2bnn s VAL 178 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2bnn s VAL 178 CO 0.00 -0.08 1.18 -2.84 0.00 0.00 0.00 175.10 173.36 2bnn s PRO 179 N 3.19 4.20 -0.00 2.72 0.02 -1.26 -4.14 135.00 139.72 2bnn s PRO 179 Ca 0.59 1.90 -0.25 0.00 0.02 0.00 0.00 61.00 63.26 2bnn s PRO 179 Cb -0.25 -2.82 0.06 0.00 0.02 0.00 0.00 34.50 31.50 2bnn s PRO 179 CO 0.20 -0.22 0.56 -3.38 -0.33 0.00 0.00 177.00 173.84 2bnn s HIS 180 N -1.33 -0.50 0.03 6.54 -3.43 -1.26 -1.66 115.29 113.69 2bnn s HIS 180 Ca 0.54 0.73 0.01 0.00 -0.80 0.00 0.00 55.06 55.53 2bnn s HIS 180 Cb -0.32 0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 31.15 2bnn s HIS 180 CO 0.41 -0.60 -0.05 0.00 -2.00 0.00 0.00 174.74 172.51 2bnn s ALA 181 N -1.76 0.31 0.01 -1.38 0.00 0.20 -2.79 121.76 116.36 2bnn s ALA 181 Ca -0.09 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2bnn s ALA 181 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2bnn s ALA 181 CO 0.04 -0.10 -0.09 -0.06 0.00 0.00 0.00 175.76 175.55 2bnn s PHE 182 N -1.41 0.84 0.31 0.00 0.40 -1.26 -0.73 117.98 116.13 2bnn s PHE 182 Ca -0.13 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2bnn s PHE 182 Cb -0.10 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.87 2bnn s PHE 182 CO -0.00 -0.01 0.14 0.95 0.70 0.00 0.00 175.22 176.99 2bnn s THR 183 N -0.53 0.45 0.71 0.64 -4.23 -0.77 -4.76 115.64 107.16 2bnn s THR 183 Ca 0.01 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 2bnn s THR 183 Cb -0.05 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.27 2bnn s THR 183 CO 0.00 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.16 2bnn s ALA 184 N -3.58 2.47 0.31 3.99 0.00 -0.17 -0.72 121.76 124.06 2bnn s ALA 184 Ca 0.35 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2bnn s ALA 184 Cb 0.06 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 2bnn s ALA 184 CO 0.16 -1.41 1.29 0.00 0.00 0.00 0.00 175.76 175.80 2bnn n ALA 185 N -3.02 1.11 -1.47 0.00 0.00 -0.27 -4.33 120.51 112.53 2bnn n ALA 185 Ca 0.09 0.38 -0.62 0.00 0.00 0.00 0.00 53.44 53.28 2bnn n ALA 185 Cb 0.53 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 2bnn n ALA 185 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bnn n LYS 186 N 0.94 0.00 -0.80 0.00 4.81 -1.25 -1.08 118.16 120.79 2bnn n LYS 186 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2bnn n LYS 186 Cb 0.34 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.94 2bnn n LYS 186 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bnn n GLY 187 N 5.48 0.89 0.64 3.14 0.00 -0.72 -4.91 105.19 109.71 2bnn n GLY 187 Ca 0.41 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.51 2bnn n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bnn n THR 188 N -2.02 0.37 0.00 2.61 -2.24 -0.24 -4.98 114.28 107.79 2bnn n THR 188 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2bnn n THR 188 Cb 0.00 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2bnn n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bnn n GLY 189 N 1.12 2.10 3.23 3.38 0.00 -1.26 -4.81 105.19 108.94 2bnn n GLY 189 Ca 0.14 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bnn n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bnn s SER 190 N -2.53 0.20 0.26 1.61 1.04 -1.26 -4.03 113.70 108.98 2bnn s SER 190 Ca 0.00 -1.09 -0.13 0.00 0.48 0.00 0.00 55.95 55.22 2bnn s SER 190 Cb 0.00 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 2bnn s SER 190 CO 0.00 -0.80 0.49 0.00 0.98 0.00 0.00 173.24 173.91 2bnn s ALA 191 N -4.02 -0.22 -0.01 5.32 0.00 -0.84 -4.59 121.76 117.39 2bnn s ALA 191 Ca 0.22 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2bnn s ALA 191 Cb 0.06 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.23 2bnn s ALA 191 CO 0.02 -0.86 -0.08 0.15 0.00 0.00 0.00 175.76 174.99 2bnn s LYS 192 N -3.92 0.70 0.00 0.00 1.02 0.48 -0.49 119.74 117.53 2bnn s LYS 192 Ca 0.22 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.98 2bnn s LYS 192 Cb -0.01 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.60 2bnn s LYS 192 CO 0.10 0.16 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.02 2bnn s LEU 193 N -0.09 2.73 -0.20 3.17 1.43 -0.42 -0.81 118.68 124.49 2bnn s LEU 193 Ca 0.02 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 2bnn s LEU 193 Cb -0.04 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2bnn s LEU 193 CO -0.00 0.29 0.43 -0.63 0.23 0.00 0.00 176.35 176.68 2bnn s ILE 194 N -0.86 5.17 -0.11 -0.59 1.01 -0.24 -0.05 121.20 125.53 2bnn s ILE 194 Ca 0.14 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.59 2bnn s ILE 194 Cb -0.11 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2bnn s ILE 194 CO 0.04 0.23 -0.15 0.00 0.00 0.00 0.00 174.94 175.06 2bnn s ALA 195 N 1.39 2.54 -0.30 9.38 0.00 0.12 -1.20 121.76 133.68 2bnn s ALA 195 Ca 0.21 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2bnn s ALA 195 Cb -0.15 -1.09 0.09 0.00 0.00 0.00 0.00 23.12 21.96 2bnn s ALA 195 CO 0.09 0.31 0.02 0.08 0.00 0.00 0.00 175.76 176.26 2bnn s VAL 196 N 0.17 1.75 -0.02 0.00 1.01 0.18 0.44 120.40 123.93 2bnn s VAL 196 Ca -0.09 -1.78 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 2bnn s VAL 196 Cb -0.15 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2bnn s VAL 196 CO 0.05 -0.45 0.66 0.21 0.00 0.00 0.00 175.10 175.57 2bnn s ASN 197 N 1.21 7.01 0.00 3.32 3.84 -0.61 -0.61 114.94 129.10 2bnn s ASN 197 Ca 0.05 1.21 0.00 0.00 0.21 0.00 0.00 52.86 54.33 2bnn s ASN 197 Cb -0.19 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2bnn s ASN 197 CO -0.11 0.01 0.00 2.22 -2.79 0.00 0.00 177.10 176.43