#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpi s ILE 2 N 0.00 3.82 0.24 1.34 1.01 -1.26 -5.07 121.20 121.28 2bpi s ILE 2 Ca 0.00 1.35 0.11 0.00 0.00 0.00 0.00 60.65 62.12 2bpi s ILE 2 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2bpi s ILE 2 CO 0.00 -0.03 -0.21 0.42 0.00 0.00 0.00 174.94 175.12 2bpi s THR 3 N -1.73 2.33 -0.51 2.92 -4.23 -1.26 -4.96 115.64 108.20 2bpi s THR 3 Ca 0.58 -2.23 -0.25 0.00 -1.18 0.00 0.00 61.69 58.61 2bpi s THR 3 Cb -0.20 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.49 2bpi s THR 3 CO 0.25 -0.31 0.96 -0.22 -0.54 0.00 0.00 174.62 174.76 2bpi s LEU 4 N -3.15 3.99 0.26 4.79 2.96 -1.26 -5.01 118.68 121.27 2bpi s LEU 4 Ca 0.25 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 2bpi s LEU 4 Cb -0.06 -3.04 -0.10 0.00 0.50 0.00 0.00 46.19 43.49 2bpi s LEU 4 CO 0.12 -1.17 1.45 -2.84 -1.32 0.00 0.00 176.35 172.59 2bpi s PRO 5 N 3.96 4.25 0.57 0.98 0.02 -1.26 -4.93 135.00 138.59 2bpi s PRO 5 Ca 0.35 2.33 -0.20 0.00 0.02 0.00 0.00 61.00 63.50 2bpi s PRO 5 Cb -0.11 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.26 2bpi s PRO 5 CO 0.23 -0.43 0.96 0.36 -0.33 0.00 0.00 177.00 177.80 2bpi n LYS 6 N 2.18 1.00 -1.83 5.54 2.85 -1.26 -4.98 118.16 121.66 2bpi n LYS 6 Ca 0.06 0.38 -0.37 0.00 -1.05 0.00 0.00 58.31 57.33 2bpi n LYS 6 Cb 0.40 -2.14 0.05 0.00 -0.65 0.00 0.00 35.03 32.69 2bpi n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2bpi s LEU 7 N -1.66 3.67 0.00 -5.58 1.43 -1.26 -4.94 118.68 110.34 2bpi s LEU 7 Ca 0.73 2.60 0.16 0.00 -1.03 0.00 0.00 54.13 56.59 2bpi s LEU 7 Cb -0.44 -4.52 0.83 0.00 0.03 0.00 0.00 46.19 42.09 2bpi s LEU 7 CO 0.49 -1.78 1.56 0.29 0.23 0.00 0.00 176.35 177.14 2bpi n LYS 8 N -1.59 1.24 -3.38 1.70 4.01 -1.26 -4.92 118.16 113.95 2bpi n LYS 8 Ca 0.14 -0.36 -0.09 0.00 -0.51 0.00 0.00 58.31 57.49 2bpi n LYS 8 Cb 0.48 -1.28 0.01 0.00 -0.51 0.00 0.00 35.03 33.73 2bpi n LYS 8 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 2bpi n TYR 9 N -0.39 -1.97 -2.23 2.13 0.18 -1.26 -5.04 117.16 108.59 2bpi n TYR 9 Ca 0.13 -1.66 -0.31 0.00 1.88 0.00 0.00 57.90 57.94 2bpi n TYR 9 Cb 0.14 0.71 -0.01 0.00 -0.38 0.00 0.00 39.34 39.80 2bpi n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2bpi s ALA 10 N -2.05 3.14 0.41 -3.48 0.00 -1.26 -4.96 121.76 113.55 2bpi s ALA 10 Ca 0.16 -0.03 0.14 0.00 0.00 0.00 0.00 51.96 52.23 2bpi s ALA 10 Cb -0.03 -3.02 0.99 0.00 0.00 0.00 0.00 23.12 21.06 2bpi s ALA 10 CO 0.12 -0.42 1.90 -0.07 0.00 0.00 0.00 175.76 177.28 2bpi h LEU 11 N 0.34 0.46 -3.11 0.00 3.38 -1.99 -0.89 115.31 113.51 2bpi h LEU 11 Ca -0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2bpi h LEU 11 Cb 1.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bpi h LEU 11 CO 0.62 0.23 0.00 -0.46 0.09 0.00 0.00 178.44 178.92 2bpi n ASN 12 N -4.50 4.76 0.22 -0.43 6.94 -1.26 -4.36 115.26 116.63 2bpi n ASN 12 Ca 0.16 -2.41 0.10 0.00 -0.02 0.00 0.00 54.58 52.40 2bpi n ASN 12 Cb 0.53 -0.58 0.47 0.00 -2.36 0.00 0.00 39.78 37.84 2bpi n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bpi h ALA 13 N 4.19 1.05 -0.00 -2.53 0.00 -1.50 -2.79 119.26 117.67 2bpi h ALA 13 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bpi h ALA 13 Cb 1.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2bpi h ALA 13 CO 0.22 0.30 -0.42 1.28 0.00 0.00 0.00 179.25 180.62 2bpi n LEU 14 N -3.44 0.76 -4.76 0.00 4.77 -1.26 -4.34 117.00 108.72 2bpi n LEU 14 Ca -0.00 -0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 2bpi n LEU 14 Cb 0.42 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2bpi n LEU 14 CO 0.33 0.16 0.74 -0.94 -1.33 0.00 0.00 177.39 176.36 2bpi s SER 15 N -2.79 4.83 0.00 -1.43 1.04 -0.97 -1.70 113.70 112.68 2bpi s SER 15 Ca 0.16 2.03 0.27 0.00 0.48 0.00 0.00 55.95 58.89 2bpi s SER 15 Cb 0.18 -2.55 1.63 0.00 0.10 0.00 0.00 66.02 65.38 2bpi s SER 15 CO 0.63 -1.82 2.02 -0.81 0.98 0.00 0.00 173.24 174.24 2bpi n PRO 16 N -2.67 0.95 -0.03 4.02 -0.04 -1.26 -4.88 135.00 131.09 2bpi n PRO 16 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2bpi n PRO 16 Cb 0.52 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2bpi n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bpi h HIS 17 N 0.00 0.16 -3.10 0.54 3.86 -1.68 -3.39 115.15 111.54 2bpi h HIS 17 Ca 0.00 -0.04 -0.63 0.00 -1.16 0.00 0.00 60.37 58.54 2bpi h HIS 17 Cb 0.00 -0.04 -0.35 0.00 1.06 0.00 0.00 27.41 28.08 2bpi h HIS 17 CO 0.00 0.50 -0.84 0.42 0.86 0.00 0.00 177.93 178.87 2bpi s ILE 18 N -4.61 1.78 0.95 2.45 1.01 -0.97 -4.82 121.20 116.99 2bpi s ILE 18 Ca -0.15 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 2bpi s ILE 18 Cb 0.04 -1.64 0.16 0.00 0.01 0.00 0.00 42.46 41.03 2bpi s ILE 18 CO 0.70 0.49 1.10 -0.94 0.00 0.00 0.00 174.94 176.30 2bpi s SER 19 N 1.38 3.11 0.37 3.58 1.04 -1.26 -2.29 113.70 119.62 2bpi s SER 19 Ca 0.04 1.18 0.13 0.00 0.48 0.00 0.00 55.95 57.79 2bpi s SER 19 Cb -0.13 -1.83 0.71 0.00 0.10 0.00 0.00 66.02 64.86 2bpi s SER 19 CO -0.11 -2.83 1.81 -0.08 0.98 0.00 0.00 173.24 173.01 2bpi h GLU 20 N -1.68 0.00 -0.13 4.02 4.81 -1.89 -2.67 114.58 117.03 2bpi h GLU 20 Ca -0.52 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2bpi h GLU 20 Cb 1.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2bpi h GLU 20 CO 0.58 0.39 -0.04 1.49 -0.73 0.00 0.00 179.01 180.70 2bpi h GLU 21 N 0.00 0.26 0.02 1.92 4.81 -1.91 -2.20 114.58 117.48 2bpi h GLU 21 Ca -0.00 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2bpi h GLU 21 Cb 0.70 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2bpi h GLU 21 CO 0.05 0.56 -0.23 1.15 -0.73 0.00 0.00 179.01 179.81 2bpi h THR 22 N -0.05 0.47 -0.85 0.32 2.02 -1.90 -1.67 112.91 111.25 2bpi h THR 22 Ca 0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.34 2bpi h THR 22 Cb 0.46 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 2bpi h THR 22 CO 0.01 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.39 2bpi h LEU 23 N -0.37 0.65 0.26 2.58 3.38 -1.47 0.75 115.31 121.09 2bpi h LEU 23 Ca 0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2bpi h LEU 23 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2bpi h LEU 23 CO -0.19 0.35 -0.13 -1.13 0.09 0.00 0.00 178.44 177.43 2bpi h ASN 24 N 0.70 -0.30 -0.07 -0.43 -0.00 -0.66 0.73 115.58 115.55 2bpi h ASN 24 Ca 0.42 -0.06 -0.02 0.00 -0.00 0.00 0.00 56.30 56.65 2bpi h ASN 24 Cb 0.63 0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 39.02 2bpi h ASN 24 CO -0.18 -0.13 -0.02 -0.26 -0.00 0.00 0.00 177.43 176.84 2bpi h PHE 25 N -0.44 0.15 0.17 0.67 0.04 -0.89 0.17 116.94 116.81 2bpi h PHE 25 Ca -0.04 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2bpi h PHE 25 Cb 0.33 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2bpi h PHE 25 CO -0.03 0.46 -0.14 1.25 -0.60 0.00 0.00 178.31 179.25 2bpi h HIS 26 N -0.20 -0.38 0.06 -0.55 2.76 0.49 0.25 115.15 117.58 2bpi h HIS 26 Ca 0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2bpi h HIS 26 Cb 0.42 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2bpi h HIS 26 CO 0.05 -0.22 -0.03 -0.92 -1.30 0.00 0.00 177.93 175.51 2bpi h TYR 27 N -0.33 -0.07 0.00 5.26 3.20 -0.96 -0.21 116.97 123.85 2bpi h TYR 27 Ca -0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2bpi h TYR 27 Cb 0.30 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2bpi h TYR 27 CO -0.12 0.36 -0.42 -0.91 -1.64 0.00 0.00 178.16 175.43 2bpi h ASN 28 N -0.98 0.00 0.00 -2.11 -0.26 -1.04 -2.08 115.58 109.11 2bpi h ASN 28 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2bpi h ASN 28 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 2bpi h ASN 28 CO 0.01 0.42 -0.32 0.29 -1.06 0.00 0.00 177.43 176.78 2bpi n LYS 29 N -3.33 0.17 0.36 0.81 4.76 -0.50 -4.40 118.16 116.03 2bpi n LYS 29 Ca 0.01 0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.33 2bpi n LYS 29 Cb 0.63 -0.76 -0.09 0.00 -1.84 0.00 0.00 35.03 32.97 2bpi n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bpi h HIS 30 N -0.32 -1.17 -0.16 2.13 3.86 -0.91 0.14 115.15 118.72 2bpi h HIS 30 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2bpi h HIS 30 Cb 0.32 0.42 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2bpi h HIS 30 CO -0.14 -0.64 -0.03 1.25 0.86 0.00 0.00 177.93 179.23 2bpi h HIS 31 N -1.03 0.34 -0.83 2.45 -0.00 -0.97 -1.70 115.15 113.40 2bpi h HIS 31 Ca -0.08 -0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.26 2bpi h HIS 31 Cb 0.85 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.12 2bpi h HIS 31 CO -0.13 0.56 0.53 0.00 -0.00 0.00 0.00 177.93 178.89 2bpi h ALA 32 N 0.73 1.11 -0.65 5.26 0.00 -1.46 -2.71 119.26 121.53 2bpi h ALA 32 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2bpi h ALA 32 Cb 0.45 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2bpi h ALA 32 CO 0.01 0.32 0.34 0.78 0.00 0.00 0.00 179.25 180.71 2bpi h GLY 33 N 1.00 0.96 1.09 0.00 0.00 -0.51 0.14 103.07 105.74 2bpi h GLY 33 Ca 0.34 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.49 2bpi h GLY 33 CO -0.14 0.11 0.51 -0.97 0.00 0.00 0.00 176.54 176.06 2bpi h TYR 34 N 0.62 0.91 0.72 5.60 0.05 -1.08 -0.53 116.97 123.26 2bpi h TYR 34 Ca 0.30 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.07 2bpi h TYR 34 Cb 0.25 -0.30 0.01 0.00 1.01 0.00 0.00 36.73 37.69 2bpi h TYR 34 CO -0.10 0.52 -0.35 0.28 -1.05 0.00 0.00 178.16 177.47 2bpi h VAL 35 N 0.93 0.11 -0.88 -2.88 2.07 -0.51 -1.34 116.25 113.76 2bpi h VAL 35 Ca 0.32 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.72 2bpi h VAL 35 Cb 0.09 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2bpi h VAL 35 CO -0.10 0.01 0.57 0.78 0.02 0.00 0.00 177.57 178.85 2bpi h ASN 36 N -1.19 0.67 0.59 0.57 -0.26 -0.99 -1.33 115.58 113.64 2bpi h ASN 36 Ca -0.10 0.04 -0.21 0.00 -0.56 0.00 0.00 56.30 55.47 2bpi h ASN 36 Cb 0.76 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 2bpi h ASN 36 CO 0.16 0.36 -0.92 0.50 -1.06 0.00 0.00 177.43 176.47 2bpi h LYS 37 N 0.72 0.21 -0.23 0.81 1.63 -1.05 -2.99 116.57 115.68 2bpi h LYS 37 Ca 0.43 -0.24 -0.16 0.00 -0.85 0.00 0.00 60.65 59.83 2bpi h LYS 37 Cb 0.65 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2bpi h LYS 37 CO -0.19 0.99 -0.53 1.25 -3.45 0.00 0.00 179.45 177.52 2bpi h LEU 38 N 0.11 0.72 -0.71 5.20 5.85 -0.77 -2.21 115.31 123.50 2bpi h LEU 38 Ca -0.05 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.30 2bpi h LEU 38 Cb 1.57 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2bpi h LEU 38 CO 0.14 1.11 0.46 0.78 -0.34 0.00 0.00 178.44 180.60 2bpi h ASN 39 N 0.51 0.82 -0.43 1.25 2.35 -1.24 -1.49 115.58 117.35 2bpi h ASN 39 Ca 0.02 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2bpi h ASN 39 Cb 1.08 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2bpi h ASN 39 CO 0.11 0.60 -0.18 0.74 -1.65 0.00 0.00 177.43 177.05 2bpi h THR 40 N 0.96 1.27 -0.29 2.81 2.02 -1.52 -0.01 112.91 118.15 2bpi h THR 40 Ca 0.26 -1.32 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 2bpi h THR 40 Cb -0.10 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2bpi h THR 40 CO -0.05 0.45 -0.35 -0.07 0.37 0.00 0.00 175.52 175.87 2bpi h LEU 41 N 0.81 0.68 0.00 2.58 3.38 -0.91 -3.27 115.31 118.58 2bpi h LEU 41 Ca 0.11 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bpi h LEU 41 Cb 0.73 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2bpi h LEU 41 CO 0.06 0.97 -1.18 2.30 0.09 0.00 0.00 178.44 180.68 2bpi n ILE 42 N -4.06 0.44 0.00 1.22 -5.35 -0.61 -4.73 119.36 106.28 2bpi n ILE 42 Ca -0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2bpi n ILE 42 Cb 0.50 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 2bpi n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2bpi n LYS 43 N -2.50 0.00 -3.84 6.28 4.81 -0.02 -1.84 118.16 121.05 2bpi n LYS 43 Ca -0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.13 2bpi n LYS 43 Cb 0.54 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.48 2bpi n LYS 43 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2bpi s ASP 44 N -1.57 5.09 0.17 3.14 1.01 -1.26 -4.77 116.67 118.48 2bpi s ASP 44 Ca 0.00 -3.74 -0.20 0.00 0.71 0.00 0.00 52.55 49.32 2bpi s ASP 44 Cb 0.00 -1.71 0.05 0.00 1.01 0.00 0.00 42.92 42.27 2bpi s ASP 44 CO 0.00 -0.13 0.55 0.42 0.21 0.00 0.00 175.17 176.22 2bpi s THR 45 N -1.31 0.02 0.57 -1.27 -4.23 -0.77 -5.03 115.64 103.62 2bpi s THR 45 Ca 0.25 -0.39 0.32 0.00 -1.18 0.00 0.00 61.69 60.69 2bpi s THR 45 Cb -0.07 -1.26 0.46 0.00 1.34 0.00 0.00 72.50 72.97 2bpi s THR 45 CO -0.14 -0.09 1.75 1.55 -0.54 0.00 0.00 174.62 177.14 2bpi h PRO 46 N 2.12 0.00 -0.00 3.99 0.13 -1.96 -2.05 132.00 134.23 2bpi h PRO 46 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2bpi h PRO 46 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2bpi h PRO 46 CO 0.38 0.00 -0.24 1.19 -0.23 0.00 0.00 178.00 179.10 2bpi n PHE 47 N -3.83 0.00 0.21 1.56 3.72 -1.26 -4.38 117.46 113.47 2bpi n PHE 47 Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 2bpi n PHE 47 Cb 1.09 -0.23 0.66 0.00 -0.94 0.00 0.00 39.48 40.06 2bpi n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bpi h ALA 48 N 3.37 1.07 0.00 4.37 0.00 -1.47 -1.54 119.26 125.06 2bpi h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bpi h ALA 48 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2bpi h ALA 48 CO 0.00 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.57 2bpi n GLU 49 N -2.40 1.52 -3.11 0.00 1.02 -1.26 -4.60 120.64 111.81 2bpi n GLU 49 Ca -0.02 -1.01 -0.26 0.00 -0.02 0.00 0.00 57.16 55.86 2bpi n GLU 49 Cb 0.13 -0.80 -0.01 0.00 -0.02 0.00 0.00 31.44 30.73 2bpi n GLU 49 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2bpi s LYS 50 N -0.53 3.54 0.64 3.49 -0.14 -0.58 -5.09 119.74 121.07 2bpi s LYS 50 Ca 0.00 -0.06 -0.13 0.00 -1.36 0.00 0.00 55.97 54.42 2bpi s LYS 50 Cb 0.00 -2.56 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 2bpi s LYS 50 CO 0.00 0.04 1.05 -1.54 -0.76 0.00 0.00 175.35 174.14 2bpi s SER 51 N -3.85 5.70 0.22 2.83 1.04 -1.26 -4.84 113.70 113.55 2bpi s SER 51 Ca 0.44 1.64 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 2bpi s SER 51 Cb -0.10 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.77 2bpi s SER 51 CO 0.37 -1.22 1.58 0.25 0.98 0.00 0.00 173.24 175.20 2bpi h LEU 52 N -0.21 -1.03 -1.13 2.42 6.46 -1.98 -1.15 115.31 118.69 2bpi h LEU 52 Ca -0.45 0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 2bpi h LEU 52 Cb 1.21 0.58 -0.03 0.00 -0.73 0.00 0.00 40.66 41.69 2bpi h LEU 52 CO 0.58 -0.29 0.25 -0.07 -0.62 0.00 0.00 178.44 178.30 2bpi h LEU 53 N -0.05 0.78 -0.16 2.25 3.38 -1.96 0.97 115.31 120.51 2bpi h LEU 53 Ca 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2bpi h LEU 53 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2bpi h LEU 53 CO -0.82 0.69 -0.01 0.44 0.09 0.00 0.00 178.44 178.83 2bpi h ASP 54 N 0.85 0.30 -0.77 -0.43 3.32 -1.65 -0.39 116.42 117.64 2bpi h ASP 54 Ca 0.21 -0.33 0.08 0.00 0.02 0.00 0.00 57.03 57.01 2bpi h ASP 54 Cb 0.15 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 2bpi h ASP 54 CO -0.02 0.56 0.44 0.40 -1.72 0.00 0.00 179.24 178.89 2bpi h ILE 55 N 0.03 0.93 -0.64 0.35 2.04 -1.02 0.78 117.51 119.98 2bpi h ILE 55 Ca 0.04 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2bpi h ILE 55 Cb 0.41 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2bpi h ILE 55 CO 0.01 0.14 0.36 0.58 0.00 0.00 0.00 178.15 179.24 2bpi h VAL 56 N 0.76 0.99 0.00 1.67 2.07 -0.62 -2.54 116.25 118.58 2bpi h VAL 56 Ca 0.36 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2bpi h VAL 56 Cb 0.30 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2bpi h VAL 56 CO -0.23 0.12 -0.53 0.11 0.02 0.00 0.00 177.57 177.06 2bpi h LYS 57 N 0.68 0.00 0.00 1.57 1.57 -0.29 -3.39 116.57 116.71 2bpi h LYS 57 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2bpi h LYS 57 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2bpi h LYS 57 CO -0.16 0.53 -1.48 0.39 -0.57 0.00 0.00 179.45 178.16 2bpi n GLU 58 N -3.28 0.75 -3.40 3.15 1.02 0.20 -5.00 120.64 114.08 2bpi n GLU 58 Ca 0.01 -0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 2bpi n GLU 58 Cb 0.73 -1.30 0.02 0.00 -0.02 0.00 0.00 31.44 30.87 2bpi n GLU 58 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2bpi s SER 59 N -3.38 4.95 0.05 1.62 1.04 -0.97 -5.06 113.70 111.95 2bpi s SER 59 Ca -0.04 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.44 2bpi s SER 59 Cb 0.09 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 2bpi s SER 59 CO 0.57 -1.16 0.05 -1.54 0.98 0.00 0.00 173.24 172.14 2bpi n SER 60 N -1.98 -0.14 0.00 7.02 3.41 -1.26 -4.76 113.62 115.91 2bpi n SER 60 Ca 0.08 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 2bpi n SER 60 Cb 0.62 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2bpi n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bpi n GLY 61 N -0.09 0.64 0.31 5.00 0.00 -1.26 -1.97 105.19 107.81 2bpi n GLY 61 Ca 0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 2bpi n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpi h ALA 62 N -0.72 1.40 -0.21 4.61 0.00 -2.01 -1.28 119.26 121.05 2bpi h ALA 62 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2bpi h ALA 62 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2bpi h ALA 62 CO 0.00 0.46 0.10 0.82 0.00 0.00 0.00 179.25 180.62 2bpi h ILE 63 N 0.72 0.99 -0.22 0.00 2.04 -1.96 -1.47 117.51 117.61 2bpi h ILE 63 Ca 0.17 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2bpi h ILE 63 Cb 0.15 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2bpi h ILE 63 CO -0.02 0.04 0.13 0.15 0.00 0.00 0.00 178.15 178.45 2bpi h PHE 64 N 0.21 0.29 -0.69 1.37 3.57 -0.78 -2.26 116.94 118.67 2bpi h PHE 64 Ca 0.08 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.71 2bpi h PHE 64 Cb 0.03 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 38.58 2bpi h PHE 64 CO -0.10 0.24 0.24 -0.91 -2.23 0.00 0.00 178.31 175.56 2bpi h ASN 65 N 0.26 0.20 -0.06 0.41 2.35 -0.93 -0.62 115.58 117.19 2bpi h ASN 65 Ca 0.08 0.10 -0.24 0.00 -0.55 0.00 0.00 56.30 55.69 2bpi h ASN 65 Cb 0.04 0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.52 2bpi h ASN 65 CO -0.01 0.09 -0.89 0.78 -1.65 0.00 0.00 177.43 175.75 2bpi h ASN 66 N 0.40 0.88 0.46 5.81 2.35 -1.21 -2.91 115.58 121.36 2bpi h ASN 66 Ca 0.37 -0.70 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 2bpi h ASN 66 Cb 0.53 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2bpi h ASN 66 CO -0.38 1.45 -0.22 0.00 -1.65 0.00 0.00 177.43 176.63 2bpi h ALA 67 N 0.45 -0.62 -0.90 -0.83 0.00 -0.98 -1.92 119.26 114.46 2bpi h ALA 67 Ca -0.09 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.85 2bpi h ALA 67 Cb 1.54 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 19.44 2bpi h ALA 67 CO 0.18 -0.73 0.42 0.00 0.00 0.00 0.00 179.25 179.12 2bpi h ALA 68 N -0.44 1.46 -0.08 0.00 0.00 -1.27 -0.56 119.26 118.38 2bpi h ALA 68 Ca -0.06 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2bpi h ALA 68 Cb 0.57 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2bpi h ALA 68 CO 0.10 -0.32 -0.56 1.96 0.00 0.00 0.00 179.25 180.43 2bpi h GLN 69 N 0.43 0.24 0.34 0.00 1.08 -1.35 0.32 115.11 116.17 2bpi h GLN 69 Ca 0.56 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.59 2bpi h GLN 69 Cb 1.06 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2bpi h GLN 69 CO -0.51 0.74 -0.16 0.82 -0.95 0.00 0.00 178.83 178.76 2bpi h ILE 70 N 0.19 0.67 -0.49 2.54 2.04 -0.33 -1.33 117.51 120.79 2bpi h ILE 70 Ca -0.00 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.51 2bpi h ILE 70 Cb 1.05 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 2bpi h ILE 70 CO 0.09 0.09 -0.03 -0.25 0.00 0.00 0.00 178.15 178.05 2bpi h TRP 71 N -0.71 -0.08 -0.21 1.37 7.01 -1.15 -1.27 115.95 120.91 2bpi h TRP 71 Ca -0.05 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 2bpi h TRP 71 Cb 0.49 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 2bpi h TRP 71 CO 0.01 -0.13 -0.16 -0.91 -2.79 0.00 0.00 178.44 174.45 2bpi h ASN 72 N 0.09 0.33 -0.06 2.65 2.35 -0.32 -1.95 115.58 118.67 2bpi h ASN 72 Ca 0.24 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.75 2bpi h ASN 72 Cb 0.37 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.66 2bpi h ASN 72 CO -0.43 0.52 -0.59 0.45 -1.65 0.00 0.00 177.43 175.73 2bpi h HIS 73 N 0.32 0.71 -0.63 1.19 3.86 -0.64 -1.49 115.15 118.48 2bpi h HIS 73 Ca 0.06 -0.34 0.04 0.00 -1.16 0.00 0.00 60.37 58.97 2bpi h HIS 73 Cb 0.48 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.81 2bpi h HIS 73 CO 0.01 1.14 0.36 1.15 0.86 0.00 0.00 177.93 181.46 2bpi h THR 74 N 0.08 1.02 -0.58 2.45 2.02 -1.14 0.16 112.91 116.92 2bpi h THR 74 Ca -0.06 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2bpi h THR 74 Cb 1.26 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2bpi h THR 74 CO 0.12 0.13 0.33 0.15 0.37 0.00 0.00 175.52 176.62 2bpi h PHE 75 N 0.70 0.76 -0.04 3.16 3.57 -1.34 -0.22 116.94 123.52 2bpi h PHE 75 Ca 0.27 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2bpi h PHE 75 Cb 0.10 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 2bpi h PHE 75 CO -0.07 0.52 0.00 -0.92 -2.23 0.00 0.00 178.31 175.61 2bpi h TYR 76 N 0.80 0.07 -0.24 0.41 3.20 -0.00 -0.94 116.97 120.26 2bpi h TYR 76 Ca 0.21 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2bpi h TYR 76 Cb -0.01 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2bpi h TYR 76 CO 0.00 0.31 0.09 -1.49 -1.64 0.00 0.00 178.16 175.44 2bpi h TRP 77 N -0.20 0.37 0.00 -3.82 -0.00 -0.57 -2.38 115.95 109.36 2bpi h TRP 77 Ca 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.86 2bpi h TRP 77 Cb 0.28 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.33 2bpi h TRP 77 CO 0.02 0.40 -0.03 -0.44 -0.00 0.00 0.00 178.44 178.39 2bpi h ASP 78 N 0.24 0.00 0.44 -3.49 3.32 -1.04 -2.31 116.42 113.59 2bpi h ASP 78 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2bpi h ASP 78 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2bpi h ASP 78 CO -0.01 0.03 0.00 -1.20 -1.72 0.00 0.00 179.24 176.35 2bpi n SER 79 N -3.87 0.00 -4.52 6.45 7.64 -0.36 -4.75 113.62 114.21 2bpi n SER 79 Ca -0.03 0.16 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 2bpi n SER 79 Cb 0.12 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 2bpi n SER 79 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2bpi s MET 80 N -2.70 1.76 -0.03 1.43 -1.94 -0.87 -0.34 119.30 116.62 2bpi s MET 80 Ca 0.15 -1.96 -0.31 0.00 -1.71 0.00 0.00 55.69 51.86 2bpi s MET 80 Cb 0.13 -1.30 0.12 0.00 2.01 0.00 0.00 34.83 35.78 2bpi s MET 80 CO 0.30 -0.05 1.26 0.20 -0.01 0.00 0.00 175.02 176.71 2bpi s GLY 81 N -3.57 -0.39 0.62 -0.03 0.00 -0.42 -4.65 107.32 98.87 2bpi s GLY 81 Ca 0.34 0.78 -0.15 0.00 0.00 0.00 0.00 44.72 45.69 2bpi s GLY 81 CO 0.16 0.17 1.07 2.56 0.00 0.00 0.00 173.10 177.06 2bpi s PRO 82 N -2.48 3.13 -1.52 2.90 0.04 -1.26 -3.85 135.00 131.96 2bpi s PRO 82 Ca 0.13 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 2bpi s PRO 82 Cb 0.04 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2bpi s PRO 82 CO -0.04 -0.96 0.78 -0.25 0.04 0.00 0.00 177.00 176.57 2bpi n ASP 83 N -2.26 -2.98 0.00 6.66 8.00 -1.26 -4.95 116.55 119.76 2bpi n ASP 83 Ca 0.09 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.70 2bpi n ASP 83 Cb 0.53 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 2bpi n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bpi n GLY 85 N 3.98 -0.29 7.00 0.00 0.00 -0.43 -4.72 105.19 110.73 2bpi n GLY 85 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2bpi n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpi n GLY 86 N 0.00 -0.60 3.70 -0.02 0.00 -1.23 -4.80 105.19 102.23 2bpi n GLY 86 Ca 0.00 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 2bpi n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bpi n GLU 87 N -1.39 1.14 -1.75 1.61 -0.58 -1.26 -5.00 120.64 113.41 2bpi n GLU 87 Ca 0.00 0.44 -0.32 0.00 -0.42 0.00 0.00 57.16 56.86 2bpi n GLU 87 Cb 0.00 -2.43 0.04 0.00 -0.57 0.00 0.00 31.44 28.48 2bpi n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2bpi s PRO 88 N -3.11 3.01 0.06 3.49 0.04 -1.26 -5.01 135.00 132.22 2bpi s PRO 88 Ca 0.79 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.98 2bpi s PRO 88 Cb -0.40 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2bpi s PRO 88 CO 0.44 -1.05 -0.09 -3.38 0.04 0.00 0.00 177.00 172.96 2bpi s HIS 89 N -2.71 0.81 0.00 0.56 -3.43 -1.26 -4.58 115.29 104.67 2bpi s HIS 89 Ca 0.61 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 2bpi s HIS 89 Cb -0.16 -0.47 0.00 0.00 -1.43 0.00 0.00 32.58 30.52 2bpi s HIS 89 CO 0.46 -0.07 0.00 0.41 -2.00 0.00 0.00 174.74 173.54 2bpi n GLY 90 N 1.12 0.57 0.39 -1.38 0.00 -1.26 -3.92 105.19 100.72 2bpi n GLY 90 Ca -0.20 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 45.14 2bpi n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bpi h GLU 91 N 0.00 0.46 0.07 1.61 3.07 -1.98 -1.75 114.58 116.06 2bpi h GLU 91 Ca 0.00 -0.03 -0.26 0.00 -0.50 0.00 0.00 59.36 58.57 2bpi h GLU 91 Cb 0.00 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2bpi h GLU 91 CO 0.00 0.30 -1.12 0.97 -1.40 0.00 0.00 179.01 177.77 2bpi h ILE 92 N 0.47 1.39 -0.39 3.13 6.09 -1.93 -1.85 117.51 124.43 2bpi h ILE 92 Ca 0.46 -2.63 0.08 0.00 -1.37 0.00 0.00 64.86 61.40 2bpi h ILE 92 Cb 1.04 2.65 -0.08 0.00 0.47 0.00 0.00 36.82 40.90 2bpi h ILE 92 CO -0.19 0.78 -0.16 0.50 -3.07 0.00 0.00 178.15 176.01 2bpi h LYS 93 N 0.20 -0.08 -0.08 2.19 3.64 -1.45 -1.64 116.57 119.35 2bpi h LYS 93 Ca -0.13 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2bpi h LYS 93 Cb 1.79 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2bpi h LYS 93 CO 0.20 -0.06 -0.01 0.93 -2.27 0.00 0.00 179.45 178.24 2bpi h GLU 94 N -0.09 0.15 -0.01 1.90 5.08 -1.40 -2.28 114.58 117.95 2bpi h GLU 94 Ca 0.19 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2bpi h GLU 94 Cb 0.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2bpi h GLU 94 CO -0.45 0.44 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.42 2bpi h LYS 95 N -0.15 0.01 -0.20 2.33 3.64 -1.27 -0.79 116.57 120.14 2bpi h LYS 95 Ca 0.02 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2bpi h LYS 95 Cb 0.38 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2bpi h LYS 95 CO 0.01 0.37 -0.13 0.82 -2.27 0.00 0.00 179.45 178.24 2bpi h ILE 96 N 0.01 1.32 -0.58 2.00 2.04 -1.27 0.83 117.51 121.86 2bpi h ILE 96 Ca -0.00 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 64.71 2bpi h ILE 96 Cb 0.63 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 2bpi h ILE 96 CO 0.05 0.37 0.21 1.56 0.00 0.00 0.00 178.15 180.34 2bpi h GLN 97 N 0.12 0.37 0.07 2.37 4.20 -0.86 0.48 115.11 121.87 2bpi h GLN 97 Ca 0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2bpi h GLN 97 Cb 0.64 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2bpi h GLN 97 CO 0.04 0.25 -0.03 1.49 -0.67 0.00 0.00 178.83 179.90 2bpi h GLU 98 N 0.38 -0.09 0.00 1.46 4.81 -1.06 0.63 114.58 120.71 2bpi h GLU 98 Ca 0.29 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2bpi h GLU 98 Cb 0.35 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2bpi h GLU 98 CO -0.30 0.30 0.00 -0.44 -0.73 0.00 0.00 179.01 177.84 2bpi h ASP 99 N -0.49 0.00 0.00 1.04 3.32 -0.64 -3.35 116.42 116.29 2bpi h ASP 99 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2bpi h ASP 99 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2bpi h ASP 99 CO 0.02 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.03 2bpi n PHE 100 N -2.46 0.00 0.00 4.55 3.72 0.14 -4.95 117.46 118.46 2bpi n PHE 100 Ca 0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2bpi n PHE 100 Cb 0.40 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2bpi n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bpi n GLY 101 N -0.02 2.42 3.83 1.37 0.00 0.21 -4.59 105.19 108.40 2bpi n GLY 101 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 2bpi n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bpi s SER 102 N 0.00 -0.20 0.16 1.61 1.04 -1.25 -4.74 113.70 110.33 2bpi s SER 102 Ca 0.00 -0.62 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 2bpi s SER 102 Cb 0.00 0.67 0.05 0.00 0.10 0.00 0.00 66.02 66.84 2bpi s SER 102 CO 0.00 -1.25 1.66 0.15 0.98 0.00 0.00 173.24 174.78 2bpi h PHE 103 N 2.00 0.94 -0.43 5.02 3.57 -1.90 -3.00 116.94 123.14 2bpi h PHE 103 Ca -0.22 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.08 2bpi h PHE 103 Cb 1.24 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2bpi h PHE 103 CO 0.55 0.82 -0.06 -0.91 -2.23 0.00 0.00 178.31 176.48 2bpi h ASN 104 N 0.78 0.71 -0.26 0.41 -0.26 -1.96 0.18 115.58 115.17 2bpi h ASN 104 Ca 0.17 -0.19 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 2bpi h ASN 104 Cb 0.37 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.38 2bpi h ASN 104 CO 0.01 0.81 -0.12 0.78 -1.06 0.00 0.00 177.43 177.85 2bpi h ASN 105 N 0.67 -0.40 0.08 5.81 2.35 -1.83 -1.50 115.58 120.77 2bpi h ASN 105 Ca 0.12 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2bpi h ASN 105 Cb 0.51 0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2bpi h ASN 105 CO 0.03 -0.15 -0.04 0.15 -1.65 0.00 0.00 177.43 175.77 2bpi h PHE 106 N -0.08 -0.10 -0.97 1.19 3.57 -1.22 -1.40 116.94 117.93 2bpi h PHE 106 Ca 0.14 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 2bpi h PHE 106 Cb 0.29 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 2bpi h PHE 106 CO -0.31 0.07 0.62 -0.22 -2.23 0.00 0.00 178.31 176.25 2bpi h LYS 107 N -0.26 0.98 -0.16 1.11 3.64 -0.93 0.44 116.57 121.40 2bpi h LYS 107 Ca -0.01 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2bpi h LYS 107 Cb 0.22 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2bpi h LYS 107 CO 0.02 0.65 -0.53 1.49 -2.27 0.00 0.00 179.45 178.81 2bpi h GLU 108 N 1.01 0.63 -0.63 1.90 4.81 -1.16 0.37 114.58 121.51 2bpi h GLU 108 Ca 0.45 -0.47 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 2bpi h GLU 108 Cb 0.37 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2bpi h GLU 108 CO -0.21 1.09 0.04 1.96 -0.73 0.00 0.00 179.01 181.17 2bpi h GLN 109 N 0.29 1.09 -0.29 1.92 4.20 -0.75 -1.29 115.11 120.28 2bpi h GLN 109 Ca -0.02 -0.33 -0.18 0.00 0.06 0.00 0.00 58.65 58.18 2bpi h GLN 109 Cb 1.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2bpi h GLN 109 CO 0.11 1.04 -0.53 0.35 -0.67 0.00 0.00 178.83 179.13 2bpi h PHE 110 N 1.00 1.09 -0.73 2.96 3.57 -0.15 -1.93 116.94 122.75 2bpi h PHE 110 Ca 0.19 -0.39 0.03 0.00 3.53 0.00 0.00 57.97 61.33 2bpi h PHE 110 Cb 0.52 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2bpi h PHE 110 CO 0.04 1.21 0.48 0.77 -2.23 0.00 0.00 178.31 178.58 2bpi h SER 111 N 0.65 0.77 -0.22 0.41 0.02 -0.86 -1.27 113.55 113.05 2bpi h SER 111 Ca 0.02 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 2bpi h SER 111 Cb 1.14 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 2bpi h SER 111 CO 0.12 0.53 -0.21 0.78 -1.14 0.00 0.00 176.83 176.91 2bpi h ASN 112 N 0.89 0.56 0.28 3.07 2.35 -0.90 0.70 115.58 122.54 2bpi h ASN 112 Ca 0.29 -0.47 -0.21 0.00 -0.55 0.00 0.00 56.30 55.35 2bpi h ASN 112 Cb 0.03 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2bpi h ASN 112 CO -0.08 0.91 -0.86 0.16 -1.65 0.00 0.00 177.43 175.91 2bpi h ILE 113 N 0.21 1.39 -0.33 2.81 -0.00 -1.31 0.62 117.51 120.90 2bpi h ILE 113 Ca 0.04 -2.31 0.04 0.00 -0.00 0.00 0.00 64.86 62.62 2bpi h ILE 113 Cb 0.75 2.29 -0.04 0.00 -0.00 0.00 0.00 36.82 39.82 2bpi h ILE 113 CO 0.05 0.69 0.10 -0.07 -0.00 0.00 0.00 178.15 178.93 2bpi h LEU 114 N 0.27 0.10 -1.32 0.16 3.38 -1.17 -1.97 115.31 114.76 2bpi h LEU 114 Ca -0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2bpi h LEU 114 Cb 1.48 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2bpi h LEU 114 CO 0.15 0.09 -0.29 0.00 0.09 0.00 0.00 178.44 178.48 2bpi h GLY 116 N 1.46 0.00 -4.98 0.00 0.00 -0.41 -3.47 103.07 95.67 2bpi h GLY 116 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 2bpi h GLY 116 CO 0.04 0.00 1.01 -1.58 0.00 0.00 0.00 176.54 176.01 2bpi s HIS 117 N -3.17 2.36 -0.09 5.60 5.04 -0.78 -4.96 115.29 119.28 2bpi s HIS 117 Ca 0.06 0.29 -0.17 0.00 -1.54 0.00 0.00 55.06 53.71 2bpi s HIS 117 Cb 0.13 -3.97 -0.05 0.00 0.04 0.00 0.00 32.58 28.73 2bpi s HIS 117 CO 0.71 -3.90 0.44 0.12 -2.34 0.00 0.00 174.74 169.76 2bpi s PHE 118 N 2.80 3.57 0.00 3.88 5.36 -1.26 -4.92 117.98 127.41 2bpi s PHE 118 Ca 0.74 0.89 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 2bpi s PHE 118 Cb -0.39 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 2bpi s PHE 118 CO 0.32 0.30 0.00 0.41 -1.46 0.00 0.00 175.22 174.79 2bpi n GLY 119 N 2.90 -0.81 3.82 13.12 0.00 -1.26 -4.90 105.19 118.05 2bpi n GLY 119 Ca -0.09 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2bpi n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bpi s SER 120 N -4.00 6.99 0.00 1.61 0.01 -1.26 -4.77 113.70 112.28 2bpi s SER 120 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2bpi s SER 120 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2bpi s SER 120 CO 0.00 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2bpi n GLY 121 N 1.69 -1.11 2.93 3.44 0.00 -1.26 0.70 105.19 111.58 2bpi n GLY 121 Ca -0.11 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 2bpi n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bpi s TRP 122 N -3.00 0.31 -0.02 1.61 0.52 -0.42 -0.49 118.94 117.46 2bpi s TRP 122 Ca 0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 56.10 55.96 2bpi s TRP 122 Cb 0.00 -0.20 -0.05 0.00 -1.15 0.00 0.00 33.47 32.08 2bpi s TRP 122 CO 0.00 -0.02 0.24 0.20 0.02 0.00 0.00 176.95 177.40 2bpi s GLY 123 N -0.21 2.24 -0.01 0.98 0.00 -0.17 -1.78 107.32 108.36 2bpi s GLY 123 Ca -0.00 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.17 2bpi s GLY 123 CO -0.00 -0.39 -0.13 -0.98 0.00 0.00 0.00 173.10 171.59 2bpi s TRP 124 N -1.24 1.21 -0.19 1.90 0.52 0.78 -1.22 118.94 120.70 2bpi s TRP 124 Ca 0.25 -0.23 -0.11 0.00 0.02 0.00 0.00 56.10 56.03 2bpi s TRP 124 Cb -0.13 -0.78 -0.05 0.00 -1.15 0.00 0.00 33.47 31.36 2bpi s TRP 124 CO 0.14 -0.02 0.17 -1.17 0.02 0.00 0.00 176.95 176.09 2bpi s LEU 125 N -0.31 4.22 0.03 2.99 2.96 0.44 -1.25 118.68 127.76 2bpi s LEU 125 Ca 0.05 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2bpi s LEU 125 Cb -0.05 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2bpi s LEU 125 CO -0.00 0.16 0.02 0.00 -1.32 0.00 0.00 176.35 175.20 2bpi s ALA 126 N 0.39 0.14 -0.48 5.97 0.00 -0.46 -0.04 121.76 127.28 2bpi s ALA 126 Ca 0.10 -0.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 2bpi s ALA 126 Cb -0.12 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2bpi s ALA 126 CO -0.00 -0.27 0.62 -1.17 0.00 0.00 0.00 175.76 174.94 2bpi s LEU 127 N -2.05 4.76 1.16 0.00 2.96 0.02 -1.15 118.68 124.38 2bpi s LEU 127 Ca -0.06 -0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 52.99 2bpi s LEU 127 Cb -0.02 -2.55 0.28 0.00 0.50 0.00 0.00 46.19 44.39 2bpi s LEU 127 CO -0.04 -0.83 1.18 0.54 -1.32 0.00 0.00 176.35 175.87 2bpi s ASN 128 N 2.36 1.35 0.00 3.68 2.20 -0.12 -0.62 114.94 123.79 2bpi s ASN 128 Ca 0.18 0.44 0.30 0.00 -0.94 0.00 0.00 52.86 52.84 2bpi s ASN 128 Cb -0.17 -0.56 1.47 0.00 -2.00 0.00 0.00 41.25 39.98 2bpi s ASN 128 CO 0.15 -3.84 1.98 0.59 -2.94 0.00 0.00 177.10 173.04 2bpi n ASN 129 N -4.54 0.71 -1.72 3.54 4.13 -1.26 -2.63 115.26 113.49 2bpi n ASN 129 Ca 0.15 -1.19 -0.02 0.00 1.68 0.00 0.00 54.58 55.20 2bpi n ASN 129 Cb 0.60 -0.01 0.27 0.00 -1.54 0.00 0.00 39.78 39.10 2bpi n ASN 129 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2bpi n ASN 130 N -0.47 4.46 -3.41 6.41 4.05 -1.26 -4.93 115.26 120.11 2bpi n ASN 130 Ca 0.21 -2.90 -0.25 0.00 0.45 0.00 0.00 54.58 52.09 2bpi n ASN 130 Cb 0.23 -0.69 0.01 0.00 1.23 0.00 0.00 39.78 40.57 2bpi n ASN 130 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2bpi n ASN 131 N 0.12 -4.30 -4.34 1.20 5.15 -1.08 -4.97 115.26 107.05 2bpi n ASN 131 Ca 0.30 -0.45 -0.31 0.00 -0.60 0.00 0.00 54.58 53.52 2bpi n ASN 131 Cb 1.14 -3.52 -0.15 0.00 -0.53 0.00 0.00 39.78 36.71 2bpi n ASN 131 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2bpi s LYS 132 N -6.08 2.01 0.06 1.20 2.20 -1.26 -4.93 119.74 112.95 2bpi s LYS 132 Ca 0.43 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 2bpi s LYS 132 Cb -0.22 -2.04 -0.05 0.00 -1.51 0.00 0.00 37.83 34.01 2bpi s LYS 132 CO 0.53 0.54 1.02 -0.51 -0.36 0.00 0.00 175.35 176.58 2bpi s LEU 133 N -0.88 4.42 0.11 5.43 1.43 -1.26 -0.95 118.68 126.98 2bpi s LEU 133 Ca 0.11 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2bpi s LEU 133 Cb -0.10 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2bpi s LEU 133 CO 0.00 -0.23 -0.02 0.68 0.23 0.00 0.00 176.35 177.02 2bpi s VAL 134 N 0.59 0.44 -0.21 -1.59 -7.23 -0.30 -4.93 120.40 107.17 2bpi s VAL 134 Ca 0.51 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 2bpi s VAL 134 Cb -0.24 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2bpi s VAL 134 CO 0.29 -0.75 0.19 -0.63 -0.31 0.00 0.00 175.10 173.90 2bpi s ILE 135 N -3.80 5.35 0.19 -0.62 1.01 -1.26 -1.36 121.20 120.71 2bpi s ILE 135 Ca 0.15 0.29 0.11 0.00 0.00 0.00 0.00 60.65 61.20 2bpi s ILE 135 Cb 0.07 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2bpi s ILE 135 CO -0.03 0.38 -0.23 -0.76 0.00 0.00 0.00 174.94 174.30 2bpi s LEU 136 N 0.74 2.44 0.02 2.97 1.43 -0.38 -4.98 118.68 120.91 2bpi s LEU 136 Ca 0.10 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2bpi s LEU 136 Cb -0.13 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 2bpi s LEU 136 CO 0.02 0.08 -0.13 0.00 0.23 0.00 0.00 176.35 176.56 2bpi s GLN 137 N -2.71 0.94 0.09 1.70 -2.07 -1.26 -0.16 119.66 116.20 2bpi s GLN 137 Ca 0.20 -0.60 0.06 0.00 -1.82 0.00 0.00 55.36 53.20 2bpi s GLN 137 Cb -0.07 -0.92 -0.03 0.00 -1.09 0.00 0.00 33.01 30.89 2bpi s GLN 137 CO 0.09 0.24 -0.16 0.95 -1.32 0.00 0.00 175.29 175.09 2bpi s THR 138 N -0.59 1.37 -0.07 3.63 -4.23 -0.73 -5.01 115.64 110.01 2bpi s THR 138 Ca 0.03 -1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2bpi s THR 138 Cb -0.06 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 2bpi s THR 138 CO 0.00 -0.22 0.20 -2.28 -0.54 0.00 0.00 174.62 171.79 2bpi s HIS 139 N -1.45 3.61 0.00 3.99 2.46 -1.26 -1.30 115.29 121.34 2bpi s HIS 139 Ca 0.04 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.14 2bpi s HIS 139 Cb -0.09 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.39 2bpi s HIS 139 CO 0.03 0.69 0.00 -0.25 -2.47 0.00 0.00 174.74 172.75 2bpi n ASP 140 N 1.67 0.00 -0.39 9.88 8.00 0.22 -1.79 116.55 134.13 2bpi n ASP 140 Ca -0.17 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.46 2bpi n ASP 140 Cb 0.54 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.83 2bpi n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bpi n ALA 141 N 10.60 3.28 -1.65 2.24 0.00 -1.26 -4.44 120.51 129.28 2bpi n ALA 141 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 2bpi n ALA 141 Cb 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 2bpi n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bpi n GLY 142 N 1.37 0.33 3.25 0.00 0.00 -0.74 -4.59 105.19 104.82 2bpi n GLY 142 Ca 0.11 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 2bpi n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bpi s ASN 143 N -0.27 1.67 0.55 1.61 2.20 -1.26 -4.72 114.94 114.72 2bpi s ASN 143 Ca 0.59 -1.05 0.28 0.00 -0.94 0.00 0.00 52.86 51.74 2bpi s ASN 143 Cb -0.64 0.02 1.59 0.00 -2.00 0.00 0.00 41.25 40.22 2bpi s ASN 143 CO 0.59 -0.39 2.15 -0.65 -2.94 0.00 0.00 177.10 175.85 2bpi h PRO 144 N 2.76 0.00 0.43 3.55 0.11 -1.96 -2.22 132.00 134.66 2bpi h PRO 144 Ca -0.37 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 2bpi h PRO 144 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bpi h PRO 144 CO 0.64 0.07 -0.21 0.82 -0.21 0.00 0.00 178.00 179.11 2bpi h ILE 145 N 0.00 0.00 -0.87 4.15 2.04 -1.96 0.33 117.51 121.20 2bpi h ILE 145 Ca -0.00 -0.05 0.22 0.00 1.00 0.00 0.00 64.86 66.03 2bpi h ILE 145 Cb 0.19 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.12 2bpi h ILE 145 CO 0.01 0.00 0.06 0.50 0.00 0.00 0.00 178.15 178.72 2bpi h LYS 146 N -0.63 0.09 0.00 2.37 3.11 -1.85 0.31 116.57 119.97 2bpi h LYS 146 Ca -0.06 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2bpi h LYS 146 Cb 0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2bpi h LYS 146 CO 0.10 0.06 0.00 -0.25 -2.81 0.00 0.00 179.45 176.54 2bpi n ASP 147 N -5.38 0.49 -2.72 4.20 8.00 -0.84 -4.90 116.55 115.40 2bpi n ASP 147 Ca 0.19 0.59 -0.17 0.00 0.71 0.00 0.00 54.79 56.11 2bpi n ASP 147 Cb 0.62 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2bpi n ASP 147 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2bpi n ASN 148 N -2.01 -4.30 0.05 -2.24 2.85 0.10 -4.89 115.26 104.83 2bpi n ASN 148 Ca 0.04 -0.02 0.11 0.00 -0.11 0.00 0.00 54.58 54.60 2bpi n ASN 148 Cb 0.28 -3.59 0.03 0.00 1.24 0.00 0.00 39.78 37.73 2bpi n ASN 148 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2bpi n THR 149 N -3.71 0.33 0.00 -0.44 -2.24 -0.23 -4.99 114.28 103.01 2bpi n THR 149 Ca -0.12 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2bpi n THR 149 Cb 0.60 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2bpi n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpi n GLY 150 N 1.29 0.32 3.51 3.38 0.00 -1.24 -4.58 105.19 107.88 2bpi n GLY 150 Ca 0.01 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 2bpi n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bpi s ILE 151 N -2.00 4.85 0.29 -0.61 1.01 0.21 -3.96 121.20 120.99 2bpi s ILE 151 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2bpi s ILE 151 Cb 0.00 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 2bpi s ILE 151 CO 0.00 0.24 1.33 -2.84 0.00 0.00 0.00 174.94 173.67 2bpi s PRO 152 N 1.69 4.35 -0.09 2.79 0.02 -1.26 -0.80 135.00 141.70 2bpi s PRO 152 Ca 0.06 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 2bpi s PRO 152 Cb -0.16 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 2bpi s PRO 152 CO 0.08 -0.24 -0.08 0.44 -0.33 0.00 0.00 177.00 176.87 2bpi n ILE 153 N 1.43 0.49 -3.82 2.83 -6.64 0.94 -4.88 119.36 109.70 2bpi n ILE 153 Ca 0.02 -0.18 -0.13 0.00 -1.77 0.00 0.00 62.75 60.70 2bpi n ILE 153 Cb 0.42 -0.91 -0.14 0.00 -1.44 0.00 0.00 39.64 37.57 2bpi n ILE 153 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 2bpi s LEU 154 N -5.62 1.49 0.24 7.28 1.43 -1.05 -4.26 118.68 118.18 2bpi s LEU 154 Ca -0.12 0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.25 2bpi s LEU 154 Cb 0.03 0.26 -0.05 0.00 0.03 0.00 0.00 46.19 46.46 2bpi s LEU 154 CO 0.19 -0.06 -0.15 0.28 0.23 0.00 0.00 176.35 176.84 2bpi s THR 155 N 0.31 2.00 -0.10 5.49 -1.32 -1.26 -0.42 115.64 120.34 2bpi s THR 155 Ca -0.02 -2.27 -0.03 0.00 -1.21 0.00 0.00 61.69 58.15 2bpi s THR 155 Cb -0.03 -2.18 0.05 0.00 -1.51 0.00 0.00 72.50 68.82 2bpi s THR 155 CO -0.01 -0.49 0.12 0.00 -2.21 0.00 0.00 174.62 172.03 2bpi s ASP 157 N 2.24 6.69 0.00 0.00 -1.08 -1.26 -1.00 116.67 122.26 2bpi s ASP 157 Ca 0.04 2.56 0.02 0.00 -0.52 0.00 0.00 52.55 54.64 2bpi s ASP 157 Cb -0.13 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2bpi s ASP 157 CO -0.06 -0.71 0.38 0.00 0.52 0.00 0.00 175.17 175.30 2bpi n ILE 158 N 3.18 0.00 -1.57 4.11 0.13 0.36 -4.89 119.36 120.68 2bpi n ILE 158 Ca 0.10 -0.49 -0.40 0.00 -1.10 0.00 0.00 62.75 60.86 2bpi n ILE 158 Cb 0.40 1.02 0.03 0.00 -0.84 0.00 0.00 39.64 40.25 2bpi n ILE 158 CO 0.00 0.00 0.00 0.79 2.80 0.00 0.00 176.55 180.14 2bpi n TRP 159 N -0.31 0.63 0.17 9.51 7.02 -1.18 -4.63 117.44 128.65 2bpi n TRP 159 Ca 0.01 0.51 0.04 0.00 -1.02 0.00 0.00 57.50 57.03 2bpi n TRP 159 Cb 0.04 -2.14 0.44 0.00 -2.42 0.00 0.00 31.31 27.22 2bpi n TRP 159 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2bpi h GLU 160 N 0.98 0.12 -0.16 -0.99 5.08 -1.95 -1.80 114.58 115.87 2bpi h GLU 160 Ca -0.45 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2bpi h GLU 160 Cb 1.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2bpi h GLU 160 CO 0.53 0.29 0.16 1.12 -1.00 0.00 0.00 179.01 180.11 2bpi h HIS 161 N 0.12 0.00 0.00 4.33 2.07 -2.00 0.38 115.15 120.05 2bpi h HIS 161 Ca 0.02 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 2bpi h HIS 161 Cb 0.36 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.34 2bpi h HIS 161 CO 0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 177.93 174.73 2bpi h ALA 162 N 1.83 1.16 0.00 6.11 0.00 -1.67 -3.36 119.26 123.33 2bpi h ALA 162 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bpi h ALA 162 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bpi h ALA 162 CO -0.00 0.16 -0.03 2.48 0.00 0.00 0.00 179.25 181.86 2bpi n TYR 163 N -3.47 0.00 -0.29 0.00 0.18 -0.65 -4.91 117.16 108.02 2bpi n TYR 163 Ca -0.01 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.82 2bpi n TYR 163 Cb 0.29 0.00 0.27 0.00 -0.38 0.00 0.00 39.34 39.52 2bpi n TYR 163 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2bpi h TYR 164 N 0.00 1.00 -0.84 -3.48 3.20 -0.43 -0.48 116.97 115.94 2bpi h TYR 164 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2bpi h TYR 164 Cb 0.00 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 2bpi h TYR 164 CO 0.00 0.50 0.54 0.82 -1.64 0.00 0.00 178.16 178.38 2bpi h ILE 165 N 0.96 1.22 0.00 1.81 2.04 -1.83 -0.92 117.51 120.79 2bpi h ILE 165 Ca 0.40 -0.42 -0.28 0.00 1.00 0.00 0.00 64.86 65.56 2bpi h ILE 165 Cb 0.29 -0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 2bpi h ILE 165 CO -0.16 0.22 -1.74 0.47 0.00 0.00 0.00 178.15 176.93 2bpi n ASP 166 N -4.49 0.79 0.00 1.72 8.00 -0.85 -4.60 116.55 117.13 2bpi n ASP 166 Ca 0.09 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2bpi n ASP 166 Cb 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2bpi n ASP 166 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2bpi n TYR 167 N -3.00 0.00 -0.14 1.24 4.01 -0.25 -5.10 117.16 113.93 2bpi n TYR 167 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2bpi n TYR 167 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 2bpi n TYR 167 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2bpi n ARG 168 N -0.07 0.00 0.00 -0.72 5.12 -0.35 -0.62 116.66 120.01 2bpi n ARG 168 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2bpi n ARG 168 Cb 0.11 0.00 0.77 0.00 -1.16 0.00 0.00 32.46 32.18 2bpi n ARG 168 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2bpi n ASN 169 N 2.46 0.00 -4.09 0.55 0.23 -1.26 -4.30 115.26 108.84 2bpi n ASN 169 Ca 0.00 -0.51 -0.43 0.00 -0.53 0.00 0.00 54.58 53.11 2bpi n ASN 169 Cb 0.00 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 2bpi n ASN 169 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2bpi n ASP 170 N -1.14 4.59 -0.13 0.53 2.03 0.20 -4.82 116.55 117.82 2bpi n ASP 170 Ca 0.17 -2.94 -0.08 0.00 0.52 0.00 0.00 54.79 52.47 2bpi n ASP 170 Cb 0.16 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 38.92 2bpi n ASP 170 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2bpi h ARG 171 N 6.52 0.55 -1.06 -0.67 2.43 -1.83 -2.65 114.38 117.68 2bpi h ARG 171 Ca 0.47 -0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.88 2bpi h ARG 171 Cb 0.73 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 2bpi h ARG 171 CO 1.63 0.38 0.69 0.00 -1.51 0.00 0.00 179.97 181.16 2bpi h ALA 172 N 1.14 2.35 -0.05 2.80 0.00 -1.94 -0.01 119.26 123.55 2bpi h ALA 172 Ca 0.15 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2bpi h ALA 172 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2bpi h ALA 172 CO -0.03 -0.75 -0.68 0.77 0.00 0.00 0.00 179.25 178.56 2bpi h SER 173 N 0.33 0.24 -0.38 0.00 0.02 -1.87 -1.94 113.55 109.95 2bpi h SER 173 Ca 0.59 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 61.32 2bpi h SER 173 Cb 1.62 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 2bpi h SER 173 CO -0.26 0.85 -0.04 0.22 -1.14 0.00 0.00 176.83 176.46 2bpi h TYR 174 N 0.14 0.78 -0.31 3.45 3.20 -0.96 -1.77 116.97 121.50 2bpi h TYR 174 Ca -0.02 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2bpi h TYR 174 Cb 1.21 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2bpi h TYR 174 CO 0.02 0.81 0.09 0.28 -1.64 0.00 0.00 178.16 177.72 2bpi h VAL 175 N 0.52 1.21 -0.61 1.81 2.07 -1.16 0.83 116.25 120.92 2bpi h VAL 175 Ca 0.10 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 67.06 2bpi h VAL 175 Cb 0.53 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 2bpi h VAL 175 CO 0.03 0.23 0.11 0.50 0.02 0.00 0.00 177.57 178.46 2bpi h LYS 176 N 0.35 0.23 -0.52 1.57 3.64 -1.37 -2.74 116.57 117.73 2bpi h LYS 176 Ca 0.10 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2bpi h LYS 176 Cb 0.26 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2bpi h LYS 176 CO -0.00 0.15 -0.13 0.00 -2.27 0.00 0.00 179.45 177.20 2bpi h ALA 177 N 1.50 0.78 -0.86 5.00 0.00 -1.11 -2.94 119.26 121.63 2bpi h ALA 177 Ca 0.32 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 55.05 2bpi h ALA 177 Cb 0.49 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2bpi h ALA 177 CO -0.42 0.67 0.56 2.35 0.00 0.00 0.00 179.25 182.41 2bpi h TRP 178 N 0.88 0.59 -0.00 0.00 7.01 -0.53 -1.17 115.95 122.72 2bpi h TRP 178 Ca 0.13 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2bpi h TRP 178 Cb 0.70 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2bpi h TRP 178 CO 0.05 0.19 0.01 -1.49 -2.79 0.00 0.00 178.44 174.40 2bpi h TRP 179 N 0.48 0.00 0.00 2.65 4.06 -1.36 0.03 115.95 121.81 2bpi h TRP 179 Ca 0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.39 2bpi h TRP 179 Cb 0.97 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 2bpi h TRP 179 CO -0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 2bpi n ASN 180 N -3.84 0.00 0.00 -3.49 3.02 -0.44 -3.51 115.26 107.00 2bpi n ASN 180 Ca -0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 2bpi n ASN 180 Cb 0.09 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2bpi n ASN 180 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bpi n LEU 181 N -1.08 0.00 -4.62 3.41 4.77 -0.01 -3.37 117.00 116.10 2bpi n LEU 181 Ca 0.18 -0.17 -0.52 0.00 -0.03 0.00 0.00 56.01 55.47 2bpi n LEU 181 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2bpi n LEU 181 CO 0.16 0.00 1.54 0.52 -1.33 0.00 0.00 177.39 178.28 2bpi n VAL 182 N -1.15 0.37 -2.77 4.08 0.31 -1.16 -1.30 118.33 116.71 2bpi n VAL 182 Ca 0.00 -0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 2bpi n VAL 182 Cb 0.00 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.29 2bpi n VAL 182 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2bpi s ASN 183 N 4.97 6.19 0.46 4.52 3.84 0.54 -1.31 114.94 134.16 2bpi s ASN 183 Ca 1.00 -0.90 0.25 0.00 0.21 0.00 0.00 52.86 53.42 2bpi s ASN 183 Cb -0.86 -2.46 1.07 0.00 -0.55 0.00 0.00 41.25 38.45 2bpi s ASN 183 CO 0.55 -1.53 1.90 -0.50 -2.79 0.00 0.00 177.10 174.73 2bpi h TRP 184 N 9.67 0.00 -0.10 0.43 4.06 -1.90 -2.61 115.95 125.50 2bpi h TRP 184 Ca -0.26 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.68 2bpi h TRP 184 Cb 1.06 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.22 2bpi h TRP 184 CO 1.02 0.20 0.03 -0.91 -3.56 0.00 0.00 178.44 175.22 2bpi h ASN 185 N 0.00 0.15 -0.49 -3.49 4.21 -1.93 0.29 115.58 114.32 2bpi h ASN 185 Ca -0.00 -0.20 0.03 0.00 1.21 0.00 0.00 56.30 57.33 2bpi h ASN 185 Cb 0.63 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.76 2bpi h ASN 185 CO 0.03 0.31 0.27 0.15 -1.29 0.00 0.00 177.43 176.90 2bpi h PHE 186 N -0.02 0.51 -0.35 1.19 3.57 -1.84 0.11 116.94 120.10 2bpi h PHE 186 Ca 0.03 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2bpi h PHE 186 Cb 0.22 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 2bpi h PHE 186 CO -0.00 0.28 -0.15 0.00 -2.23 0.00 0.00 178.31 176.20 2bpi h ALA 187 N 1.24 0.13 -0.90 2.41 0.00 -1.31 -1.79 119.26 119.04 2bpi h ALA 187 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2bpi h ALA 187 Cb 0.06 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2bpi h ALA 187 CO -0.11 -0.53 0.57 -0.91 0.00 0.00 0.00 179.25 178.27 2bpi h ASN 188 N -0.09 1.05 0.16 0.00 2.35 0.33 -1.10 115.58 118.28 2bpi h ASN 188 Ca 0.18 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2bpi h ASN 188 Cb 0.36 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2bpi h ASN 188 CO -0.41 0.78 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.72 2bpi h GLU 189 N 1.23 0.27 0.03 0.81 4.81 -0.57 -1.84 114.58 119.31 2bpi h GLU 189 Ca 0.33 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 59.19 2bpi h GLU 189 Cb -0.10 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.29 2bpi h GLU 189 CO -0.07 0.59 -1.02 -0.91 -0.73 0.00 0.00 179.01 176.87 2bpi h ASN 190 N 0.23 0.85 -0.70 1.04 2.35 -0.93 -2.66 115.58 115.77 2bpi h ASN 190 Ca 0.03 -0.76 -0.03 0.00 -0.55 0.00 0.00 56.30 54.98 2bpi h ASN 190 Cb 0.73 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2bpi h ASN 190 CO 0.06 1.51 0.30 0.25 -1.65 0.00 0.00 177.43 177.90 2bpi h LEU 191 N 0.29 0.95 0.55 1.61 5.85 -1.11 0.15 115.31 123.60 2bpi h LEU 191 Ca -0.14 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2bpi h LEU 191 Cb 1.69 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.48 2bpi h LEU 191 CO 0.20 0.84 -0.26 0.50 -0.34 0.00 0.00 178.44 179.38 2bpi h LYS 192 N 0.99 -0.71 -0.41 1.25 3.64 -1.38 0.15 116.57 120.11 2bpi h LYS 192 Ca 0.24 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2bpi h LYS 192 Cb 0.17 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2bpi h LYS 192 CO -0.02 -0.47 0.26 -0.22 -2.27 0.00 0.00 179.45 176.72 2bpi h LYS 193 N -0.75 0.51 -0.32 1.90 3.64 -1.44 -1.44 116.57 118.68 2bpi h LYS 193 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2bpi h LYS 193 Cb 0.57 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2bpi h LYS 193 CO 0.12 0.34 0.21 0.00 -2.27 0.00 0.00 179.45 177.85 2bpi h ALA 194 N 1.16 0.41 0.00 5.00 0.00 -0.57 -2.12 119.26 123.15 2bpi h ALA 194 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2bpi h ALA 194 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2bpi h ALA 194 CO -0.05 -0.13 -0.22 0.52 0.00 0.00 0.00 179.25 179.38 2bpi h MET 195 N 0.43 0.00 -0.49 0.00 2.86 -0.53 -0.78 114.93 116.42 2bpi h MET 195 Ca 0.12 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2bpi h MET 195 Cb -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2bpi h MET 195 CO -0.03 0.22 0.01 1.96 1.06 0.00 0.00 176.91 180.13 2bpi h GLN 196 N 0.00 0.81 0.00 1.72 4.20 -0.62 -3.51 115.11 117.71 2bpi h GLN 196 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2bpi h GLN 196 Cb 0.46 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2bpi h GLN 196 CO 0.03 0.81 0.00 1.63 -0.67 0.00 0.00 178.83 180.62