#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbo s GLN 2 N 0.00 0.60 -0.07 0.00 1.03 -1.26 -5.16 119.66 114.80 1pbo s GLN 2 Ca 0.00 0.48 0.02 0.00 0.04 0.00 0.00 55.36 55.90 1pbo s GLN 2 Cb 0.00 0.29 -0.02 0.00 0.03 0.00 0.00 33.01 33.30 1pbo s GLN 2 CO 0.00 -0.10 -0.13 -1.83 -2.54 0.00 0.00 175.29 170.69 1pbo s GLU 3 N -0.11 2.78 -0.03 9.60 -1.05 -1.26 -5.13 118.70 123.49 1pbo s GLU 3 Ca -0.03 -0.67 -0.05 0.00 -0.15 0.00 0.00 54.97 54.07 1pbo s GLU 3 Cb -0.03 -2.48 0.01 0.00 -0.44 0.00 0.00 34.13 31.19 1pbo s GLU 3 CO 0.02 0.52 0.12 -1.83 0.95 0.00 0.00 175.26 175.04 1pbo s GLU 4 N -0.46 0.23 -0.07 -4.83 -1.05 -1.26 -5.15 118.70 106.11 1pbo s GLU 4 Ca 0.06 0.02 0.03 0.00 -0.15 0.00 0.00 54.97 54.92 1pbo s GLU 4 Cb -0.12 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1pbo s GLU 4 CO 0.02 -0.04 -0.15 -1.21 0.95 0.00 0.00 175.26 174.83 1pbo s GLU 5 N -0.32 2.70 0.30 -4.83 2.02 -1.26 -5.10 118.70 112.22 1pbo s GLU 5 Ca -0.04 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 1pbo s GLU 5 Cb -0.03 -2.42 -0.10 0.00 0.10 0.00 0.00 34.13 31.69 1pbo s GLU 5 CO 0.00 0.52 1.25 0.00 0.02 0.00 0.00 175.26 177.05 1pbo s ALA 6 N -0.45 3.48 -0.09 5.21 0.00 -1.26 -4.91 121.76 123.73 1pbo s ALA 6 Ca 0.05 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1pbo s ALA 6 Cb -0.12 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1pbo s ALA 6 CO 0.02 -0.49 1.82 -2.00 0.00 0.00 0.00 175.76 175.11 1pbo s GLU 7 N -1.47 3.92 0.60 0.00 2.12 -1.26 -4.96 118.70 117.65 1pbo s GLU 7 Ca 0.49 2.15 -0.14 0.00 0.36 0.00 0.00 54.97 57.83 1pbo s GLU 7 Cb -0.37 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 29.87 1pbo s GLU 7 CO 0.48 -1.17 1.03 -0.65 -0.54 0.00 0.00 175.26 174.40 1pbo s GLN 8 N 4.66 3.47 0.00 4.30 -1.52 -1.26 -4.85 119.66 124.46 1pbo s GLN 8 Ca 0.81 1.00 0.00 0.00 -1.95 0.00 0.00 55.36 55.22 1pbo s GLN 8 Cb -0.34 -2.06 0.00 0.00 -0.22 0.00 0.00 33.01 30.39 1pbo s GLN 8 CO 0.34 -0.67 0.00 0.27 -0.25 0.00 0.00 175.29 174.98 1pbo n ASN 9 N -2.26 0.00 -0.43 5.90 0.23 -1.26 -4.95 115.26 112.50 1pbo n ASN 9 Ca 0.07 0.00 0.36 0.00 -0.53 0.00 0.00 54.58 54.48 1pbo n ASN 9 Cb 0.54 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.90 1pbo n ASN 9 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1pbo h LEU 10 N 0.00 0.20 -0.54 -4.53 3.38 -1.97 1.00 115.31 112.85 1pbo h LEU 10 Ca 0.00 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1pbo h LEU 10 Cb 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1pbo h LEU 10 CO 0.00 -0.05 0.32 0.28 0.09 0.00 0.00 178.44 179.08 1pbo h SER 11 N 0.12 0.52 0.35 -0.43 0.02 -1.95 -0.83 113.55 111.36 1pbo h SER 11 Ca 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.68 1pbo h SER 11 Cb 2.45 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.88 1pbo h SER 11 CO -0.23 0.37 0.00 -0.33 -1.14 0.00 0.00 176.83 175.50 1pbo h GLU 12 N 0.64 0.00 0.00 3.45 4.39 0.73 -2.54 114.58 121.26 1pbo h GLU 12 Ca 0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 1pbo h GLU 12 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1pbo h GLU 12 CO -0.10 0.00 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.37 1pbo h LEU 13 N 0.00 0.00-10.13 1.33 3.38 -1.03 -3.46 115.31 105.40 1pbo h LEU 13 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1pbo h LEU 13 Cb 0.17 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.09 1pbo h LEU 13 CO 0.00 0.32 0.48 -0.44 0.09 0.00 0.00 178.44 178.89 1pbo s SER 14 N -6.37 4.42 0.00 -0.43 0.01 -0.96 -4.89 113.70 105.48 1pbo s SER 14 Ca 0.05 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.87 1pbo s SER 14 Cb 0.07 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1pbo s SER 14 CO 0.72 -2.13 0.00 0.61 0.41 0.00 0.00 173.24 172.85 1pbo n GLY 15 N 0.79 0.99 3.76 3.44 0.00 -0.47 -4.98 105.19 108.72 1pbo n GLY 15 Ca 0.15 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1pbo n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pbo s PRO 16 N -1.99 4.36 0.03 1.61 0.04 -1.26 -2.07 135.00 135.72 1pbo s PRO 16 Ca 0.00 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.23 1pbo s PRO 16 Cb 0.00 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 1pbo s PRO 16 CO 0.00 -0.23 -0.05 -1.58 0.04 0.00 0.00 177.00 175.18 1pbo s TRP 17 N -0.68 0.46 0.06 0.56 0.52 -0.57 -1.96 118.94 117.33 1pbo s TRP 17 Ca 0.52 -0.53 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1pbo s TRP 17 Cb -0.39 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 31.61 1pbo s TRP 17 CO 0.48 -0.14 -0.13 1.03 0.02 0.00 0.00 176.95 178.20 1pbo s ARG 18 N -1.58 0.77 -0.12 4.98 1.81 0.28 -3.17 118.95 121.93 1pbo s ARG 18 Ca -0.13 -0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 52.84 1pbo s ARG 18 Cb -0.10 -0.74 -0.05 0.00 -0.45 0.00 0.00 34.95 33.62 1pbo s ARG 18 CO -0.01 0.16 0.35 -0.08 -0.68 0.00 0.00 175.30 175.04 1pbo s THR 19 N -1.26 5.24 -0.17 0.02 -1.32 -1.26 -0.86 115.64 116.03 1pbo s THR 19 Ca -0.03 0.68 -0.15 0.00 -1.21 0.00 0.00 61.69 60.98 1pbo s THR 19 Cb -0.10 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.16 1pbo s THR 19 CO 0.02 0.43 -0.27 0.52 -2.21 0.00 0.00 174.62 173.10 1pbo n VAL 20 N 3.15 1.47 -4.03 5.08 0.31 0.16 -4.93 118.33 119.55 1pbo n VAL 20 Ca -0.12 0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 1pbo n VAL 20 Cb 0.52 -2.35 -0.12 0.00 -0.91 0.00 0.00 33.84 30.99 1pbo n VAL 20 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pbo s TYR 21 N -2.63 0.44 -0.05 3.52 2.02 -0.94 -5.01 117.35 114.71 1pbo s TYR 21 Ca -0.24 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.03 1pbo s TYR 21 Cb 0.04 -0.28 0.03 0.00 -0.40 0.00 0.00 41.96 41.34 1pbo s TYR 21 CO 0.35 -0.11 0.00 0.42 -1.57 0.00 0.00 175.55 174.65 1pbo s ILE 22 N -1.17 0.25 0.03 2.71 1.01 -1.26 -0.28 121.20 122.49 1pbo s ILE 22 Ca -0.10 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1pbo s ILE 22 Cb -0.08 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1pbo s ILE 22 CO -0.00 0.20 -0.03 -0.83 0.00 0.00 0.00 174.94 174.28 1pbo s GLY 23 N 1.49 1.84 -0.02 6.18 0.00 0.85 -4.96 107.32 112.70 1pbo s GLY 23 Ca -0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 1pbo s GLY 23 CO -0.03 -0.92 0.04 -0.45 0.00 0.00 0.00 173.10 171.74 1pbo s SER 24 N -1.72 0.00 0.56 1.64 0.15 -1.26 -0.37 113.70 112.70 1pbo s SER 24 Ca 0.20 0.08 0.34 0.00 0.70 0.00 0.00 55.95 57.27 1pbo s SER 24 Cb -0.11 0.02 1.52 0.00 -1.71 0.00 0.00 66.02 65.74 1pbo s SER 24 CO 0.11 -0.07 2.05 0.71 1.20 0.00 0.00 173.24 177.24 1pbo h THR 25 N 5.69 0.12 -3.83 6.45 1.35 -1.67 -3.36 112.91 117.66 1pbo h THR 25 Ca -0.35 -0.49 -0.67 0.00 -0.55 0.00 0.00 66.41 64.35 1pbo h THR 25 Cb 1.16 1.43 -0.38 0.00 -1.73 0.00 0.00 68.15 68.64 1pbo h THR 25 CO 0.48 0.04 -0.78 0.21 -0.25 0.00 0.00 175.52 175.21 1pbo s ASN 26 N -5.70 4.52 0.60 5.36 3.84 -1.26 -4.99 114.94 117.31 1pbo s ASN 26 Ca -0.00 -1.57 0.36 0.00 0.21 0.00 0.00 52.86 51.86 1pbo s ASN 26 Cb 0.10 -1.57 1.88 0.00 -0.55 0.00 0.00 41.25 41.12 1pbo s ASN 26 CO 0.53 -0.23 2.20 1.55 -2.79 0.00 0.00 177.10 178.36 1pbo h PRO 27 N 7.74 0.00 0.00 0.43 0.13 -2.01 -2.60 132.00 135.68 1pbo h PRO 27 Ca -0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 1pbo h PRO 27 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1pbo h PRO 27 CO 0.47 0.03 -0.23 0.93 -0.23 0.00 0.00 178.00 178.98 1pbo h GLU 28 N 0.00 0.00 -0.00 0.86 5.08 -1.95 -2.42 114.58 116.15 1pbo h GLU 28 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1pbo h GLU 28 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1pbo h GLU 28 CO 0.00 0.23 -0.43 0.87 -1.00 0.00 0.00 179.01 178.68 1pbo h LYS 29 N 0.00 0.01 -0.27 2.33 1.79 -1.86 -3.27 116.57 115.30 1pbo h LYS 29 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1pbo h LYS 29 Cb 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1pbo h LYS 29 CO 0.03 0.43 0.00 0.44 -1.08 0.00 0.00 179.45 179.27 1pbo n ILE 30 N -4.03 1.04 -2.06 1.86 -5.35 -1.09 -0.86 119.36 108.86 1pbo n ILE 30 Ca -0.02 -1.03 -0.28 0.00 -0.27 0.00 0.00 62.75 61.15 1pbo n ILE 30 Cb 0.46 0.48 0.13 0.00 -1.74 0.00 0.00 39.64 38.96 1pbo n ILE 30 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pbo s GLN 31 N -1.06 1.37 0.06 6.28 -0.21 -0.93 -4.63 119.66 120.54 1pbo s GLN 31 Ca 0.19 -0.36 -0.33 0.00 0.02 0.00 0.00 55.36 54.87 1pbo s GLN 31 Cb 0.10 -2.00 -0.12 0.00 1.00 0.00 0.00 33.01 31.99 1pbo s GLN 31 CO 0.12 -1.88 1.74 0.39 -2.12 0.00 0.00 175.29 173.55 1pbo n GLU 32 N -3.38 2.30 -0.61 2.91 -0.58 -1.26 0.35 120.64 120.37 1pbo n GLU 32 Ca 0.12 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1pbo n GLU 32 Cb 0.60 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1pbo n GLU 32 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1pbo n ASN 33 N 5.08 -0.18 -4.81 1.62 4.13 -1.25 -5.04 115.26 114.82 1pbo n ASN 33 Ca 0.19 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.11 1pbo n ASN 33 Cb 0.31 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 38.46 1pbo n ASN 33 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pbo s GLY 34 N -1.65 2.49 0.00 7.41 0.00 0.15 -4.76 107.32 110.97 1pbo s GLY 34 Ca 0.00 0.51 0.18 0.00 0.00 0.00 0.00 44.72 45.41 1pbo s GLY 34 CO 0.00 0.83 1.58 -1.55 0.00 0.00 0.00 173.10 173.96 1pbo n PRO 35 N -0.64 0.02 -0.17 2.90 -0.04 -1.10 -3.04 135.00 132.92 1pbo n PRO 35 Ca 0.07 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1pbo n PRO 35 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1pbo n PRO 35 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pbo n PHE 36 N -1.49 0.44 -1.92 0.54 3.72 -0.04 -4.68 117.46 114.03 1pbo n PHE 36 Ca 0.05 -0.48 -0.41 0.00 -0.05 0.00 0.00 57.45 56.56 1pbo n PHE 36 Cb 0.21 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1pbo n PHE 36 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1pbo n ARG 37 N 0.53 3.60 -3.65 -1.08 0.63 -1.17 -4.78 116.66 110.73 1pbo n ARG 37 Ca 0.11 -3.02 -0.36 0.00 -0.92 0.00 0.00 57.85 53.66 1pbo n ARG 37 Cb 0.42 -2.95 -0.09 0.00 0.45 0.00 0.00 32.46 30.29 1pbo n ARG 37 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1pbo s THR 38 N 1.21 5.36 -0.45 5.15 -4.23 -1.26 -4.60 115.64 116.82 1pbo s THR 38 Ca 0.50 0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 61.03 1pbo s THR 38 Cb 0.14 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.50 1pbo s THR 38 CO -0.05 0.35 0.60 -0.31 -0.54 0.00 0.00 174.62 174.67 1pbo s TYR 39 N 0.95 3.08 0.42 3.99 1.51 -0.63 -4.80 117.35 121.89 1pbo s TYR 39 Ca 0.09 -0.20 -0.25 0.00 -1.01 0.00 0.00 57.07 55.70 1pbo s TYR 39 Cb -0.13 -3.29 -0.08 0.00 -0.11 0.00 0.00 41.96 38.35 1pbo s TYR 39 CO 0.04 -0.87 1.24 -0.06 -1.11 0.00 0.00 175.55 174.79 1pbo s PHE 40 N 2.66 2.87 -0.01 2.71 0.40 -1.26 -1.64 117.98 123.71 1pbo s PHE 40 Ca 0.19 1.48 -0.02 0.00 -0.60 0.00 0.00 56.93 57.98 1pbo s PHE 40 Cb -0.15 -3.54 -0.01 0.00 0.51 0.00 0.00 43.02 39.82 1pbo s PHE 40 CO 0.17 -1.79 -0.05 0.54 0.70 0.00 0.00 175.22 174.78 1pbo n ARG 41 N -0.09 0.08 -3.73 0.44 1.74 0.18 -4.30 116.66 110.99 1pbo n ARG 41 Ca 0.05 0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1pbo n ARG 41 Cb 0.45 -0.64 -0.07 0.00 -1.02 0.00 0.00 32.46 31.18 1pbo n ARG 41 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pbo s GLU 42 N -2.10 0.87 0.00 5.56 2.02 -1.10 -1.51 118.70 122.44 1pbo s GLU 42 Ca -0.05 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1pbo s GLU 42 Cb 0.02 0.38 -0.01 0.00 0.10 0.00 0.00 34.13 34.62 1pbo s GLU 42 CO 0.07 -0.29 -0.05 -0.51 0.02 0.00 0.00 175.26 174.50 1pbo s LEU 43 N -2.24 2.03 -0.23 1.80 1.43 -0.88 -1.90 118.68 118.70 1pbo s LEU 43 Ca -0.03 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1pbo s LEU 43 Cb 0.00 -0.22 0.06 0.00 0.03 0.00 0.00 46.19 46.07 1pbo s LEU 43 CO -0.05 0.03 -0.04 -0.69 0.23 0.00 0.00 176.35 175.83 1pbo s VAL 44 N -0.21 1.38 -0.06 -1.59 1.01 -0.74 -1.37 120.40 118.82 1pbo s VAL 44 Ca 0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.67 1pbo s VAL 44 Cb -0.02 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1pbo s VAL 44 CO -0.00 -0.13 0.48 -0.36 0.00 0.00 0.00 175.10 175.09 1pbo s PHE 45 N 1.46 3.61 -0.28 5.22 0.08 -1.26 -1.49 117.98 125.32 1pbo s PHE 45 Ca -0.05 0.98 0.01 0.00 0.12 0.00 0.00 56.93 57.99 1pbo s PHE 45 Cb -0.19 -2.48 0.08 0.00 -0.57 0.00 0.00 43.02 39.86 1pbo s PHE 45 CO -0.07 0.35 0.01 0.34 -0.10 0.00 0.00 175.22 175.75 1pbo s ASP 46 N -0.07 4.18 0.24 1.36 -1.08 0.11 -4.51 116.67 116.90 1pbo s ASP 46 Ca 0.26 -1.57 -0.07 0.00 -0.52 0.00 0.00 52.55 50.64 1pbo s ASP 46 Cb -0.16 -1.26 0.23 0.00 -1.46 0.00 0.00 42.92 40.27 1pbo s ASP 46 CO 0.12 -0.31 1.91 0.44 0.52 0.00 0.00 175.17 177.85 1pbo h ASP 47 N 7.88 1.06 -0.17 -0.34 3.32 -1.94 -0.79 116.42 125.43 1pbo h ASP 47 Ca -0.13 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1pbo h ASP 47 Cb 1.04 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1pbo h ASP 47 CO 0.46 0.77 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.46 1pbo h GLU 48 N 1.25 0.44 -0.01 3.56 4.81 -1.96 -3.24 114.58 119.43 1pbo h GLU 48 Ca 0.34 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1pbo h GLU 48 Cb -0.14 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1pbo h GLU 48 CO -0.07 0.82 -0.20 1.63 -0.73 0.00 0.00 179.01 180.46 1pbo n LYS 49 N -4.47 0.85 -3.57 1.92 5.02 -1.21 -4.94 118.16 111.76 1pbo n LYS 49 Ca -0.06 -0.46 -0.21 0.00 -2.02 0.00 0.00 58.31 55.57 1pbo n LYS 49 Cb 0.41 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.00 1pbo n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pbo n GLY 50 N 1.31 -0.39 3.22 0.72 0.00 -0.35 -4.80 105.19 104.92 1pbo n GLY 50 Ca 0.13 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1pbo n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbo s THR 51 N -3.43 1.03 -0.04 2.61 -4.23 -0.93 0.03 115.64 110.67 1pbo s THR 51 Ca 0.16 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1pbo s THR 51 Cb -0.08 -1.75 0.02 0.00 1.34 0.00 0.00 72.50 72.04 1pbo s THR 51 CO 0.76 -0.76 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.35 1pbo s VAL 52 N -3.30 0.51 -0.14 2.29 1.01 -0.79 -0.72 120.40 119.26 1pbo s VAL 52 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1pbo s VAL 52 Cb 0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1pbo s VAL 52 CO -0.01 0.22 0.05 -1.81 0.00 0.00 0.00 175.10 173.55 1pbo s ASP 53 N 0.94 5.55 -0.05 3.32 1.01 -0.55 -0.38 116.67 126.51 1pbo s ASP 53 Ca -0.11 0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.32 1pbo s ASP 53 Cb -0.14 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 1pbo s ASP 53 CO -0.00 0.27 -0.12 -0.36 0.21 0.00 0.00 175.17 175.17 1pbo s PHE 54 N -0.19 2.77 -0.10 4.23 0.40 0.10 -1.79 117.98 123.41 1pbo s PHE 54 Ca 0.07 -0.10 -0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1pbo s PHE 54 Cb -0.12 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.79 1pbo s PHE 54 CO 0.02 0.25 -0.07 0.71 0.70 0.00 0.00 175.22 176.82 1pbo s TYR 55 N -0.78 1.34 0.27 0.36 2.02 -0.80 -1.05 117.35 118.72 1pbo s TYR 55 Ca 0.12 -0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 56.05 1pbo s TYR 55 Cb -0.11 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1pbo s TYR 55 CO 0.02 -0.45 0.59 -0.59 -1.57 0.00 0.00 175.55 173.55 1pbo s PHE 56 N 1.57 0.15 0.03 2.71 -0.12 -0.68 -0.65 117.98 121.00 1pbo s PHE 56 Ca 0.02 -0.57 0.08 0.00 -0.05 0.00 0.00 56.93 56.41 1pbo s PHE 56 Cb -0.13 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 1pbo s PHE 56 CO -0.06 -1.13 -0.23 -1.12 -0.05 0.00 0.00 175.22 172.63 1pbo s SER 57 N -2.99 2.75 -0.06 1.98 0.01 -0.65 0.00 113.70 114.74 1pbo s SER 57 Ca 0.18 -0.52 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 1pbo s SER 57 Cb -0.03 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.96 1pbo s SER 57 CO 0.09 0.22 0.16 -0.69 0.41 0.00 0.00 173.24 173.43 1pbo s VAL 58 N -0.75 -0.00 -0.60 3.43 1.01 -0.37 -1.60 120.40 121.53 1pbo s VAL 58 Ca 0.09 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 1pbo s VAL 58 Cb -0.09 -0.24 0.08 0.00 0.00 0.00 0.00 36.38 36.13 1pbo s VAL 58 CO 0.01 0.00 0.81 -0.75 0.00 0.00 0.00 175.10 175.18 1pbo s LYS 59 N 0.13 3.11 -0.05 2.72 2.20 -1.26 -0.90 119.74 125.69 1pbo s LYS 59 Ca -0.00 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 1pbo s LYS 59 Cb -0.02 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.07 1pbo s LYS 59 CO -0.00 -1.58 -0.09 0.50 -0.36 0.00 0.00 175.35 173.81 1pbo s ARG 60 N 3.31 2.63 7.60 4.03 6.06 -0.88 -3.79 118.95 137.90 1pbo s ARG 60 Ca 0.18 -0.63 0.00 0.00 -2.50 0.00 0.00 55.73 52.78 1pbo s ARG 60 Cb -0.19 -2.50 0.00 0.00 0.06 0.00 0.00 34.95 32.31 1pbo s ARG 60 CO 0.10 0.64 0.00 -0.25 -2.50 0.00 0.00 175.30 173.29 1pbo n ASP 61 N 2.12 0.00 -0.46 -2.12 9.92 -1.26 -2.39 116.55 122.37 1pbo n ASP 61 Ca -0.17 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.18 1pbo n ASP 61 Cb 0.53 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.01 1pbo n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pbo n GLY 62 N 0.00 0.05 3.31 0.44 0.00 -1.26 -4.91 105.19 102.82 1pbo n GLY 62 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 1pbo n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbo s LYS 63 N -2.00 1.23 0.23 1.61 -2.85 -1.01 -5.10 119.74 111.87 1pbo s LYS 63 Ca 0.16 -1.56 -0.30 0.00 -1.00 0.00 0.00 55.97 53.27 1pbo s LYS 63 Cb 0.15 -0.81 -0.09 0.00 -2.06 0.00 0.00 37.83 35.02 1pbo s LYS 63 CO 0.42 0.07 1.13 -1.58 0.10 0.00 0.00 175.35 175.49 1pbo s TRP 64 N -3.22 3.52 -0.03 1.78 0.52 -1.26 -2.07 118.94 118.19 1pbo s TRP 64 Ca 0.22 1.60 0.05 0.00 0.02 0.00 0.00 56.10 57.98 1pbo s TRP 64 Cb 0.02 -3.34 -0.01 0.00 -1.15 0.00 0.00 33.47 29.00 1pbo s TRP 64 CO 0.05 -0.78 -0.17 0.15 0.02 0.00 0.00 176.95 176.22 1pbo s LYS 65 N -0.91 1.57 -0.10 4.98 -0.14 -0.07 -4.96 119.74 120.11 1pbo s LYS 65 Ca 0.48 -0.60 -0.12 0.00 -1.36 0.00 0.00 55.97 54.37 1pbo s LYS 65 Cb -0.32 -1.43 -0.05 0.00 -1.68 0.00 0.00 37.83 34.35 1pbo s LYS 65 CO 0.39 0.29 0.28 -0.80 -0.76 0.00 0.00 175.35 174.75 1pbo s ASN 66 N -0.15 6.53 0.01 2.83 0.02 -1.26 -1.23 114.94 121.69 1pbo s ASN 66 Ca 0.01 0.63 0.02 0.00 -1.02 0.00 0.00 52.86 52.51 1pbo s ASN 66 Cb -0.09 -2.17 -0.01 0.00 0.02 0.00 0.00 41.25 39.00 1pbo s ASN 66 CO 0.01 0.27 -0.08 -0.69 0.02 0.00 0.00 177.10 176.63 1pbo s VAL 67 N -0.50 0.60 -0.07 1.60 1.01 0.10 -4.99 120.40 118.15 1pbo s VAL 67 Ca 0.18 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1pbo s VAL 67 Cb -0.14 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1pbo s VAL 67 CO 0.07 -0.00 -0.22 -2.28 0.00 0.00 0.00 175.10 172.67 1pbo s HIS 68 N -0.55 2.25 -0.03 5.22 5.04 -1.26 -1.68 115.29 124.29 1pbo s HIS 68 Ca -0.01 -0.78 0.00 0.00 -1.54 0.00 0.00 55.06 52.74 1pbo s HIS 68 Cb -0.05 -1.50 0.03 0.00 0.04 0.00 0.00 32.58 31.09 1pbo s HIS 68 CO 0.00 -0.29 0.00 0.08 -2.34 0.00 0.00 174.74 172.20 1pbo s VAL 69 N 0.14 0.14 -0.17 0.89 1.01 -0.21 -4.96 120.40 117.24 1pbo s VAL 69 Ca -0.10 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1pbo s VAL 69 Cb -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1pbo s VAL 69 CO 0.05 0.14 0.08 -0.75 0.00 0.00 0.00 175.10 174.62 1pbo s LYS 70 N 1.03 3.88 0.10 2.72 2.20 -1.26 0.01 119.74 128.43 1pbo s LYS 70 Ca -0.10 -0.30 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 1pbo s LYS 70 Cb -0.13 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1pbo s LYS 70 CO -0.02 0.37 -0.16 0.00 -0.36 0.00 0.00 175.35 175.18 1pbo s ALA 71 N 0.11 2.74 -0.05 3.13 0.00 0.49 -4.54 121.76 123.64 1pbo s ALA 71 Ca 0.06 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1pbo s ALA 71 Cb -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1pbo s ALA 71 CO 0.00 0.60 -0.25 0.99 0.00 0.00 0.00 175.76 177.11 1pbo s THR 72 N -1.12 2.02 0.62 0.00 2.01 -0.30 -1.89 115.64 116.99 1pbo s THR 72 Ca 0.18 -1.06 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1pbo s THR 72 Cb -0.11 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1pbo s THR 72 CO 0.10 0.56 1.12 -0.75 -0.69 0.00 0.00 174.62 174.96 1pbo s LYS 73 N -0.22 2.96 0.35 4.92 2.20 0.10 -1.20 119.74 128.86 1pbo s LYS 73 Ca -0.02 1.45 0.08 0.00 -0.36 0.00 0.00 55.97 57.13 1pbo s LYS 73 Cb -0.13 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1pbo s LYS 73 CO 0.03 -1.13 0.08 -0.65 -0.36 0.00 0.00 175.35 173.32 1pbo s GLN 74 N -3.86 2.20 0.29 4.03 -0.21 0.20 -4.87 119.66 117.43 1pbo s GLN 74 Ca 0.69 -1.69 -0.01 0.00 0.02 0.00 0.00 55.36 54.36 1pbo s GLN 74 Cb -0.21 -2.02 0.44 0.00 1.00 0.00 0.00 33.01 32.22 1pbo s GLN 74 CO 0.37 0.10 1.90 -0.44 -2.12 0.00 0.00 175.29 175.10 1pbo h ASP 75 N 1.67 0.83 0.00 5.90 5.19 -1.97 -0.91 116.42 127.13 1pbo h ASP 75 Ca -0.43 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1pbo h ASP 75 Cb 1.25 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1pbo h ASP 75 CO 0.66 0.71 0.00 -0.90 -3.12 0.00 0.00 179.24 176.59 1pbo n ASP 76 N -4.34 0.00 0.00 6.45 5.68 -1.26 -4.81 116.55 118.27 1pbo n ASP 76 Ca 0.06 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 1pbo n ASP 76 Cb 0.13 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1pbo n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pbo n GLY 77 N 0.05 0.84 3.96 6.12 0.00 -0.34 -5.05 105.19 110.78 1pbo n GLY 77 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1pbo n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbo s THR 78 N -3.33 2.32 0.02 2.61 -4.23 -1.26 -4.75 115.64 107.02 1pbo s THR 78 Ca 0.00 -0.48 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1pbo s THR 78 Cb 0.00 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1pbo s THR 78 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 1pbo s TYR 79 N -3.11 1.58 0.09 3.99 1.51 -0.67 0.58 117.35 121.32 1pbo s TYR 79 Ca 0.62 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 56.42 1pbo s TYR 79 Cb -0.08 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1pbo s TYR 79 CO 0.43 0.03 -0.11 0.14 -1.11 0.00 0.00 175.55 174.94 1pbo s VAL 80 N -0.64 3.32 0.02 0.71 -7.23 -0.34 -1.31 120.40 114.92 1pbo s VAL 80 Ca 0.06 -1.24 -0.23 0.00 -1.81 0.00 0.00 61.98 58.76 1pbo s VAL 80 Cb -0.08 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.38 1pbo s VAL 80 CO 0.01 0.15 0.51 0.00 -0.31 0.00 0.00 175.10 175.45 1pbo s ALA 81 N -1.18 -1.30 -0.32 1.32 0.00 -0.86 -1.15 121.76 118.28 1pbo s ALA 81 Ca 0.20 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 1pbo s ALA 81 Cb -0.11 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1pbo s ALA 81 CO 0.12 -0.43 0.06 0.34 0.00 0.00 0.00 175.76 175.85 1pbo s ASP 82 N -1.70 5.10 -0.30 0.00 -1.08 -1.26 -1.23 116.67 116.20 1pbo s ASP 82 Ca -0.08 -1.10 -0.11 0.00 -0.52 0.00 0.00 52.55 50.74 1pbo s ASP 82 Cb -0.01 -1.81 0.14 0.00 -1.46 0.00 0.00 42.92 39.77 1pbo s ASP 82 CO 0.02 -0.28 0.72 -0.47 0.52 0.00 0.00 175.17 175.69 1pbo s TYR 83 N 1.37 -1.20 -1.60 -5.34 5.04 -1.26 -4.90 117.35 109.46 1pbo s TYR 83 Ca -0.02 2.08 -0.13 0.00 -2.44 0.00 0.00 57.07 56.56 1pbo s TYR 83 Cb -0.19 0.72 0.10 0.00 0.35 0.00 0.00 41.96 42.94 1pbo s TYR 83 CO 0.01 -0.60 0.74 0.39 -1.34 0.00 0.00 175.55 174.75 1pbo n GLU 84 N 5.35 -3.69 0.00 4.97 -0.58 -1.26 -4.46 120.64 120.96 1pbo n GLU 84 Ca -0.11 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1pbo n GLU 84 Cb 0.50 -5.04 0.00 0.00 -0.57 0.00 0.00 31.44 26.32 1pbo n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pbo n GLY 85 N -1.60 -0.01 3.78 0.62 0.00 -1.26 -4.43 105.19 102.29 1pbo n GLY 85 Ca -0.03 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1pbo n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pbo s GLN 86 N 0.00 3.13 -0.01 1.61 -1.52 -0.74 -4.47 119.66 117.66 1pbo s GLN 86 Ca 0.00 -0.40 0.03 0.00 -1.95 0.00 0.00 55.36 53.03 1pbo s GLN 86 Cb 0.00 -2.91 -0.00 0.00 -0.22 0.00 0.00 33.01 29.88 1pbo s GLN 86 CO 0.00 0.68 -0.09 -0.80 -0.25 0.00 0.00 175.29 174.83 1pbo s ASN 87 N -1.46 1.17 -0.09 5.90 0.01 -0.37 -0.94 114.94 119.16 1pbo s ASN 87 Ca 0.20 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 1pbo s ASN 87 Cb -0.12 -0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.36 1pbo s ASN 87 CO 0.10 0.10 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.98 1pbo s VAL 88 N -0.07 1.20 0.05 1.60 1.01 -0.27 -2.03 120.40 121.91 1pbo s VAL 88 Ca 0.01 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1pbo s VAL 88 Cb -0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1pbo s VAL 88 CO -0.00 0.38 -0.11 0.72 0.00 0.00 0.00 175.10 176.09 1pbo s PHE 89 N 1.05 0.99 -0.05 5.22 -0.12 -0.43 -0.70 117.98 123.94 1pbo s PHE 89 Ca -0.07 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 56.42 1pbo s PHE 89 Cb -0.15 -0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 41.66 1pbo s PHE 89 CO -0.01 0.00 -0.22 0.21 -0.05 0.00 0.00 175.22 175.15 1pbo s LYS 90 N -1.56 2.24 -0.44 1.99 2.47 0.20 -1.67 119.74 122.97 1pbo s LYS 90 Ca -0.04 -0.79 -0.22 0.00 -1.56 0.00 0.00 55.97 53.36 1pbo s LYS 90 Cb -0.09 -1.92 0.02 0.00 -1.46 0.00 0.00 37.83 34.38 1pbo s LYS 90 CO 0.01 0.33 0.70 0.42 0.16 0.00 0.00 175.35 176.97 1pbo s ILE 91 N -0.10 4.77 0.01 5.43 1.01 -1.26 -0.79 121.20 130.26 1pbo s ILE 91 Ca -0.03 0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.99 1pbo s ILE 91 Cb -0.13 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 37.97 1pbo s ILE 91 CO 0.03 -0.62 1.23 -0.37 0.00 0.00 0.00 174.94 175.21 1pbo h VAL 92 N 5.90 1.30 -2.77 2.92 -1.51 -1.52 -3.46 116.25 117.11 1pbo h VAL 92 Ca -0.25 -2.91 -0.14 0.00 -1.23 0.00 0.00 66.70 62.17 1pbo h VAL 92 Cb 1.09 2.63 -0.28 0.00 -2.13 0.00 0.00 31.29 32.60 1pbo h VAL 92 CO 0.91 0.74 -0.36 -0.55 -1.23 0.00 0.00 177.57 177.08 1pbo s SER 93 N -6.51 -0.43 -0.07 4.19 0.15 -1.09 -4.99 113.70 104.95 1pbo s SER 93 Ca 0.01 0.77 -0.06 0.00 0.70 0.00 0.00 55.95 57.37 1pbo s SER 93 Cb 0.09 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.07 1pbo s SER 93 CO 0.80 -0.18 0.18 -0.22 1.20 0.00 0.00 173.24 175.01 1pbo s LEU 94 N 1.35 1.22 0.00 3.45 0.20 -1.26 -0.71 118.68 122.93 1pbo s LEU 94 Ca -0.09 0.36 -0.05 0.00 0.69 0.00 0.00 54.13 55.04 1pbo s LEU 94 Cb -0.09 0.60 0.02 0.00 -0.43 0.00 0.00 46.19 46.29 1pbo s LEU 94 CO -0.11 -0.07 0.33 -1.54 -0.29 0.00 0.00 176.35 174.66 1pbo n SER 95 N 3.15 -0.95 0.29 3.68 3.41 -0.66 -4.98 113.62 117.56 1pbo n SER 95 Ca -0.14 -1.82 0.18 0.00 -0.26 0.00 0.00 58.87 56.82 1pbo n SER 95 Cb 0.58 1.63 0.98 0.00 -0.26 0.00 0.00 64.21 67.14 1pbo n SER 95 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pbo h ARG 96 N 0.00 0.00 0.00 4.33 2.43 -2.00 -3.23 114.38 115.91 1pbo h ARG 96 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1pbo h ARG 96 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1pbo h ARG 96 CO 0.20 0.00 -0.75 0.25 -1.51 0.00 0.00 179.97 178.15 1pbo n THR 97 N -3.53 0.00 -4.19 0.20 -2.24 -1.26 -4.73 114.28 98.53 1pbo n THR 97 Ca -0.02 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1pbo n THR 97 Cb 0.16 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 1pbo n THR 97 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1pbo s HIS 98 N -1.75 0.99 -0.15 4.78 -3.43 -1.22 -1.00 115.29 113.52 1pbo s HIS 98 Ca 0.00 -1.01 -0.05 0.00 -0.80 0.00 0.00 55.06 53.21 1pbo s HIS 98 Cb 0.00 -0.57 0.07 0.00 -1.43 0.00 0.00 32.58 30.65 1pbo s HIS 98 CO 0.00 -0.24 0.28 -1.17 -2.00 0.00 0.00 174.74 171.61 1pbo s LEU 99 N -3.09 -0.33 -0.14 5.38 2.96 -0.44 -1.65 118.68 121.37 1pbo s LEU 99 Ca 0.18 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1pbo s LEU 99 Cb 0.06 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.48 1pbo s LEU 99 CO -0.01 -0.25 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.97 1pbo s VAL 100 N 2.43 3.24 0.07 1.68 1.01 0.11 -0.87 120.40 128.06 1pbo s VAL 100 Ca 0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1pbo s VAL 100 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1pbo s VAL 100 CO -0.10 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 1pbo s ALA 101 N 0.41 0.66 -0.09 5.51 0.00 0.19 -1.22 121.76 127.22 1pbo s ALA 101 Ca -0.09 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1pbo s ALA 101 Cb -0.15 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1pbo s ALA 101 CO 0.05 -0.32 -0.12 -1.58 0.00 0.00 0.00 175.76 173.79 1pbo s HIS 102 N -3.74 1.63 0.04 0.00 5.65 0.03 -1.11 115.29 117.78 1pbo s HIS 102 Ca 0.08 -0.71 0.09 0.00 0.25 0.00 0.00 55.06 54.77 1pbo s HIS 102 Cb 0.07 -1.22 -0.03 0.00 -1.18 0.00 0.00 32.58 30.22 1pbo s HIS 102 CO -0.08 -0.39 -0.25 1.21 -0.65 0.00 0.00 174.74 174.58 1pbo s ASN 103 N 0.99 3.01 -0.20 9.88 2.47 -0.20 -0.63 114.94 130.27 1pbo s ASN 103 Ca -0.08 -0.56 -0.00 0.00 0.42 0.00 0.00 52.86 52.64 1pbo s ASN 103 Cb -0.15 -0.28 0.01 0.00 -1.45 0.00 0.00 41.25 39.39 1pbo s ASN 103 CO -0.01 0.25 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.84 1pbo s ILE 104 N -0.78 2.46 -0.14 -5.21 1.01 0.13 -0.90 121.20 117.77 1pbo s ILE 104 Ca 0.11 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 1pbo s ILE 104 Cb -0.10 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1pbo s ILE 104 CO 0.02 0.48 -0.13 0.21 0.00 0.00 0.00 174.94 175.52 1pbo s ASN 105 N 1.34 3.99 -0.26 3.58 3.84 -0.16 -1.11 114.94 126.16 1pbo s ASN 105 Ca 0.05 -0.35 -0.02 0.00 0.21 0.00 0.00 52.86 52.75 1pbo s ASN 105 Cb -0.14 -1.62 0.03 0.00 -0.55 0.00 0.00 41.25 38.98 1pbo s ASN 105 CO -0.10 0.14 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.62 1pbo s VAL 106 N 0.50 2.92 1.02 -5.21 1.01 -0.12 -0.59 120.40 119.93 1pbo s VAL 106 Ca -0.09 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 1pbo s VAL 106 Cb -0.16 -2.53 0.21 0.00 0.00 0.00 0.00 36.38 33.91 1pbo s VAL 106 CO 0.04 0.13 1.23 1.51 0.00 0.00 0.00 175.10 178.01 1pbo s ASP 107 N 1.31 2.59 0.00 3.32 1.47 -0.08 -1.79 116.67 123.50 1pbo s ASP 107 Ca -0.01 0.50 0.08 0.00 1.18 0.00 0.00 52.55 54.30 1pbo s ASP 107 Cb -0.17 -0.70 0.46 0.00 -0.34 0.00 0.00 42.92 42.16 1pbo s ASP 107 CO -0.04 -3.08 0.93 2.29 0.68 0.00 0.00 175.17 175.96 1pbo n LYS 108 N -4.04 0.23 -0.17 2.11 0.00 -1.26 -1.38 118.16 113.66 1pbo n LYS 108 Ca 0.13 0.02 0.05 0.00 -0.00 0.00 0.00 58.31 58.51 1pbo n LYS 108 Cb 0.59 -1.50 0.14 0.00 -0.00 0.00 0.00 35.03 34.26 1pbo n LYS 108 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1pbo n HIS 109 N -1.02 0.43 -0.14 5.58 8.25 -1.26 -4.98 115.22 122.07 1pbo n HIS 109 Ca 0.06 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 1pbo n HIS 109 Cb 0.03 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1pbo n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pbo n GLY 110 N 0.31 2.14 3.73 -1.41 0.00 -0.48 -5.02 105.19 104.46 1pbo n GLY 110 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1pbo n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pbo s GLN 111 N -0.20 4.50 -0.17 1.61 -0.21 -1.26 -4.80 119.66 119.13 1pbo s GLN 111 Ca 0.00 1.83 -0.06 0.00 0.02 0.00 0.00 55.36 57.15 1pbo s GLN 111 Cb 0.00 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1pbo s GLN 111 CO 0.00 -0.10 0.04 0.21 -2.12 0.00 0.00 175.29 173.33 1pbo s LYS 112 N 0.01 3.81 -0.02 2.91 2.36 -1.26 -0.90 119.74 126.65 1pbo s LYS 112 Ca 0.53 -0.37 0.06 0.00 -2.55 0.00 0.00 55.97 53.64 1pbo s LYS 112 Cb -0.31 -3.12 -0.01 0.00 -1.05 0.00 0.00 37.83 33.33 1pbo s LYS 112 CO 0.35 0.33 -0.19 0.99 1.55 0.00 0.00 175.35 178.38 1pbo s THR 113 N 0.18 1.53 -0.12 3.43 2.01 0.24 -4.95 115.64 117.96 1pbo s THR 113 Ca 0.03 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1pbo s THR 113 Cb -0.13 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1pbo s THR 113 CO 0.01 0.43 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.62 1pbo s GLU 114 N -0.33 3.28 0.12 4.92 2.02 -1.26 -0.99 118.70 126.45 1pbo s GLU 114 Ca 0.04 -0.71 0.09 0.00 0.02 0.00 0.00 54.97 54.41 1pbo s GLU 114 Cb -0.09 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1pbo s GLU 114 CO 0.00 0.24 -0.21 -0.51 0.02 0.00 0.00 175.26 174.80 1pbo s LEU 115 N 0.27 2.32 0.12 1.80 1.02 -0.08 -1.56 118.68 122.57 1pbo s LEU 115 Ca -0.10 -0.72 0.10 0.00 0.02 0.00 0.00 54.13 53.42 1pbo s LEU 115 Cb -0.16 -0.91 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 1pbo s LEU 115 CO 0.06 0.05 -0.25 0.42 0.02 0.00 0.00 176.35 176.65 1pbo s THR 116 N -1.30 2.09 -0.13 5.49 -4.23 0.50 -1.03 115.64 117.02 1pbo s THR 116 Ca 0.09 -1.67 -0.16 0.00 -1.18 0.00 0.00 61.69 58.77 1pbo s THR 116 Cb -0.09 -1.86 0.04 0.00 1.34 0.00 0.00 72.50 71.93 1pbo s THR 116 CO 0.05 0.06 0.43 -0.83 -0.54 0.00 0.00 174.62 173.80 1pbo s GLY 117 N -1.96 -0.32 -0.11 3.99 0.00 -0.27 -0.10 107.32 108.56 1pbo s GLY 117 Ca 0.12 1.10 0.03 0.00 0.00 0.00 0.00 44.72 45.97 1pbo s GLY 117 CO 0.05 0.91 -0.22 -2.27 0.00 0.00 0.00 173.10 171.57 1pbo s LEU 118 N -0.11 2.03 0.05 0.66 2.96 0.62 -0.63 118.68 124.26 1pbo s LEU 118 Ca -0.03 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1pbo s LEU 118 Cb -0.03 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 1pbo s LEU 118 CO 0.02 0.12 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.67 1pbo s PHE 119 N 0.53 1.15 -0.02 5.38 0.40 -0.05 -0.66 117.98 124.71 1pbo s PHE 119 Ca -0.15 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.84 1pbo s PHE 119 Cb -0.17 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 1pbo s PHE 119 CO 0.05 0.03 -0.21 0.54 0.70 0.00 0.00 175.22 176.33 1pbo s VAL 120 N -1.06 1.68 0.11 -0.44 0.11 -0.04 -1.33 120.40 119.43 1pbo s VAL 120 Ca -0.01 -0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 57.91 1pbo s VAL 120 Cb -0.09 -1.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.30 1pbo s VAL 120 CO 0.02 0.47 0.68 -0.75 -3.33 0.00 0.00 175.10 172.19 1pbo s LYS 121 N -0.46 4.40 -0.48 1.54 2.47 -0.17 -0.56 119.74 126.48 1pbo s LYS 121 Ca 0.07 0.95 -0.19 0.00 -1.56 0.00 0.00 55.97 55.25 1pbo s LYS 121 Cb -0.09 -3.26 0.05 0.00 -1.46 0.00 0.00 37.83 33.07 1pbo s LYS 121 CO -0.01 0.58 0.56 -0.51 0.16 0.00 0.00 175.35 176.13 1pbo s LEU 122 N -1.04 4.96 -0.08 5.43 1.43 -0.83 -4.92 118.68 123.63 1pbo s LEU 122 Ca 0.33 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1pbo s LEU 122 Cb -0.21 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1pbo s LEU 122 CO 0.23 -0.78 0.28 0.20 0.23 0.00 0.00 176.35 176.50 1pbo s ASN 123 N 2.40 6.56 -0.23 2.29 0.01 -1.26 -4.57 114.94 120.13 1pbo s ASN 123 Ca 0.14 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 1pbo s ASN 123 Cb -0.19 -2.17 0.06 0.00 0.41 0.00 0.00 41.25 39.37 1pbo s ASN 123 CO 0.13 0.30 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.29 1pbo s VAL 124 N -0.68 1.32 0.42 1.60 1.01 -1.26 -5.12 120.40 117.69 1pbo s VAL 124 Ca 0.19 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 1pbo s VAL 124 Cb -0.14 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 1pbo s VAL 124 CO 0.07 -0.12 0.92 -1.61 0.00 0.00 0.00 175.10 174.36 1pbo s GLU 125 N 1.49 4.16 0.35 2.72 0.41 -1.26 -4.96 118.70 121.60 1pbo s GLU 125 Ca -0.05 1.02 0.07 0.00 -0.41 0.00 0.00 54.97 55.61 1pbo s GLU 125 Cb -0.18 -2.22 0.65 0.00 -1.78 0.00 0.00 34.13 30.60 1pbo s GLU 125 CO -0.07 -0.03 1.85 0.38 -0.49 0.00 0.00 175.26 176.91 1pbo h ASP 126 N 1.85 0.31 -0.90 -0.19 2.03 -2.00 -2.60 116.42 114.93 1pbo h ASP 126 Ca -0.49 -0.08 0.11 0.00 -0.73 0.00 0.00 57.03 55.85 1pbo h ASP 126 Cb 1.18 -0.08 -0.08 0.00 -0.83 0.00 0.00 39.33 39.52 1pbo h ASP 126 CO 0.62 0.50 0.53 -0.08 -1.03 0.00 0.00 179.24 179.77 1pbo h GLU 127 N 0.30 0.82 -0.27 4.15 4.81 -1.98 0.37 114.58 122.78 1pbo h GLU 127 Ca 0.06 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1pbo h GLU 127 Cb 0.46 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1pbo h GLU 127 CO 0.03 0.54 -0.55 -0.44 -0.73 0.00 0.00 179.01 177.85 1pbo h ASP 128 N 0.84 0.90 -0.39 1.04 3.32 -1.87 -1.78 116.42 118.49 1pbo h ASP 128 Ca 0.45 -0.49 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1pbo h ASP 128 Cb 0.46 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1pbo h ASP 128 CO -0.27 1.27 0.01 -0.07 -1.72 0.00 0.00 179.24 178.46 1pbo h LEU 129 N 0.62 0.66 -1.37 1.55 3.38 -0.89 -0.95 115.31 118.31 1pbo h LEU 129 Ca 0.01 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1pbo h LEU 129 Cb 1.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1pbo h LEU 129 CO 0.12 0.80 0.17 -0.33 0.09 0.00 0.00 178.44 179.28 1pbo h GLU 130 N 0.51 0.60 0.00 1.13 5.08 -0.23 -0.81 114.58 120.86 1pbo h GLU 130 Ca 0.11 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 1pbo h GLU 130 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1pbo h GLU 130 CO 0.02 0.49 -0.90 -0.22 -1.00 0.00 0.00 179.01 177.40 1pbo h LYS 131 N 0.60 0.25 -0.30 2.33 3.64 -1.16 -2.67 116.57 119.27 1pbo h LYS 131 Ca 0.15 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 59.07 1pbo h LYS 131 Cb 0.12 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1pbo h LYS 131 CO -0.02 1.00 -0.50 0.35 -2.27 0.00 0.00 179.45 178.02 1pbo h PHE 132 N 0.14 1.03 -0.16 1.91 3.57 -0.73 -2.81 116.94 119.88 1pbo h PHE 132 Ca -0.06 -0.35 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 1pbo h PHE 132 Cb 1.54 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 1pbo h PHE 132 CO 0.04 1.16 -0.08 -1.49 -2.23 0.00 0.00 178.31 175.71 1pbo h TRP 133 N 0.65 0.39 -0.80 0.41 4.06 -1.17 -2.12 115.95 117.37 1pbo h TRP 133 Ca 0.03 -0.10 0.08 0.00 2.06 0.00 0.00 58.89 60.96 1pbo h TRP 133 Cb 1.09 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 29.09 1pbo h TRP 133 CO 0.06 0.65 0.46 -0.22 -3.56 0.00 0.00 178.44 175.84 1pbo h LYS 134 N 0.02 0.78 -0.63 0.49 1.63 -1.54 0.01 116.57 117.34 1pbo h LYS 134 Ca 0.04 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1pbo h LYS 134 Cb 0.55 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1pbo h LYS 134 CO 0.02 0.52 0.23 1.25 -3.45 0.00 0.00 179.45 178.02 1pbo h LEU 135 N 0.80 0.88 -0.59 5.20 5.85 -1.43 -0.65 115.31 125.39 1pbo h LEU 135 Ca 0.37 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1pbo h LEU 135 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1pbo h LEU 135 CO -0.22 0.83 0.33 0.74 -0.34 0.00 0.00 178.44 179.78 1pbo h THR 136 N 0.88 1.19 -0.18 1.05 2.02 -0.59 -2.63 112.91 114.65 1pbo h THR 136 Ca 0.21 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1pbo h THR 136 Cb 0.24 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1pbo h THR 136 CO -0.01 0.20 0.04 -0.33 0.37 0.00 0.00 175.52 175.79 1pbo h GLU 137 N 0.79 0.30 -0.98 6.66 5.08 -0.88 0.13 114.58 125.69 1pbo h GLU 137 Ca 0.21 -0.08 0.23 0.00 -1.00 0.00 0.00 59.36 58.72 1pbo h GLU 137 Cb 0.04 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1pbo h GLU 137 CO -0.03 0.45 0.64 -0.44 -1.00 0.00 0.00 179.01 178.63 1pbo h ASP 138 N 0.10 0.46 -0.31 1.42 3.32 -0.88 1.62 116.42 122.16 1pbo h ASP 138 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1pbo h ASP 138 Cb 0.29 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1pbo h ASP 138 CO 0.00 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 177.96 1pbo n LYS 139 N -4.58 1.80 -3.54 3.56 4.76 -1.01 -4.91 118.16 114.23 1pbo n LYS 139 Ca 0.22 -1.23 -0.22 0.00 -2.87 0.00 0.00 58.31 54.21 1pbo n LYS 139 Cb 0.77 -1.31 0.08 0.00 -1.84 0.00 0.00 35.03 32.73 1pbo n LYS 139 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pbo n GLY 140 N 1.09 -0.49 3.65 0.72 0.00 0.55 -4.97 105.19 105.74 1pbo n GLY 140 Ca 0.13 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1pbo n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pbo s ILE 141 N -3.33 5.28 0.03 -0.61 1.01 0.44 -5.02 121.20 119.01 1pbo s ILE 141 Ca 0.41 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 1pbo s ILE 141 Cb -0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1pbo s ILE 141 CO 0.73 0.28 0.97 -0.62 0.00 0.00 0.00 174.94 176.30 1pbo s ASP 142 N 1.20 7.41 0.50 3.58 2.15 -1.26 -4.32 116.67 125.92 1pbo s ASP 142 Ca 0.12 1.70 0.36 0.00 0.43 0.00 0.00 52.55 55.16 1pbo s ASP 142 Cb -0.14 -2.57 1.51 0.00 -0.30 0.00 0.00 42.92 41.41 1pbo s ASP 142 CO 0.07 -0.20 1.68 0.11 -0.17 0.00 0.00 175.17 176.66 1pbo h LYS 143 N 6.41 0.07 0.00 4.34 1.57 -1.97 0.61 116.57 127.61 1pbo h LYS 143 Ca -0.42 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1pbo h LYS 143 Cb 1.22 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1pbo h LYS 143 CO 0.74 0.05 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.43 1pbo h LYS 144 N 0.08 0.00 -1.03 3.15 3.64 -2.05 -2.83 116.57 117.52 1pbo h LYS 144 Ca 0.76 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 59.66 1pbo h LYS 144 Cb 2.70 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 34.26 1pbo h LYS 144 CO -0.18 0.02 0.61 0.09 -2.27 0.00 0.00 179.45 177.72 1pbo n ASN 145 N -3.27 4.53 -4.09 4.20 3.02 0.21 -4.89 115.26 114.97 1pbo n ASN 145 Ca -0.02 -3.43 -0.27 0.00 -0.03 0.00 0.00 54.58 50.83 1pbo n ASN 145 Cb 0.14 -0.84 -0.17 0.00 -0.61 0.00 0.00 39.78 38.30 1pbo n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pbo s VAL 146 N -3.14 1.41 -0.08 2.41 1.01 -1.07 -4.94 120.40 115.98 1pbo s VAL 146 Ca 0.51 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1pbo s VAL 146 Cb 0.42 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1pbo s VAL 146 CO 0.07 0.41 0.08 -0.69 0.00 0.00 0.00 175.10 174.97 1pbo s VAL 147 N 0.45 4.94 -0.46 2.92 1.01 -1.26 -5.05 120.40 122.95 1pbo s VAL 147 Ca -0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1pbo s VAL 147 Cb -0.15 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1pbo s VAL 147 CO 0.05 0.56 0.37 0.21 0.00 0.00 0.00 175.10 176.29 1pbo s ASN 148 N -1.12 6.12 0.20 3.32 3.84 -1.26 -4.91 114.94 121.14 1pbo s ASN 148 Ca 0.16 -1.24 0.12 0.00 0.21 0.00 0.00 52.86 52.11 1pbo s ASN 148 Cb -0.12 -2.17 -0.06 0.00 -0.55 0.00 0.00 41.25 38.35 1pbo s ASN 148 CO 0.06 -0.60 1.35 -0.26 -2.79 0.00 0.00 177.10 174.86 1pbo h PHE 149 N 8.72 0.00 -0.37 0.43 -1.00 -2.00 -3.26 116.94 119.46 1pbo h PHE 149 Ca -0.28 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.45 1pbo h PHE 149 Cb 1.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.66 1pbo h PHE 149 CO 0.62 0.72 0.06 1.25 -1.61 0.00 0.00 178.31 179.34 1pbo h LEU 150 N 0.00 0.60 -1.16 1.54 5.85 -2.00 -1.80 115.31 118.35 1pbo h LEU 150 Ca -0.01 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 1pbo h LEU 150 Cb 1.56 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1pbo h LEU 150 CO 0.09 0.71 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.21 1pbo h GLU 151 N 0.46 0.00 -0.31 1.25 4.39 -1.98 -1.51 114.58 116.88 1pbo h GLU 151 Ca 0.11 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1pbo h GLU 151 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1pbo h GLU 151 CO 0.01 0.37 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.29 1pbo h ASN 152 N 0.00 0.56 -0.17 1.42 -0.26 -1.50 -2.31 115.58 113.33 1pbo h ASN 152 Ca -0.00 -0.33 -0.08 0.00 -0.56 0.00 0.00 56.30 55.33 1pbo h ASN 152 Cb 0.76 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 1pbo h ASN 152 CO 0.05 0.76 -0.12 -0.33 -1.06 0.00 0.00 177.43 176.72 1pbo h GLU 153 N 0.35 0.54 0.00 0.81 5.08 -1.06 -2.51 114.58 117.80 1pbo h GLU 153 Ca 0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1pbo h GLU 153 Cb 0.49 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pbo h GLU 153 CO 0.02 0.66 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 1pbo n ASP 154 N -4.19 0.15 -3.21 1.42 8.00 -0.59 -3.99 116.55 114.13 1pbo n ASP 154 Ca 0.01 0.52 -0.24 0.00 0.71 0.00 0.00 54.79 55.78 1pbo n ASP 154 Cb 0.33 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.80 1pbo n ASP 154 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pbo n HIS 155 N -1.65 -0.19 -1.21 1.24 8.25 -0.88 -4.84 115.22 115.95 1pbo n HIS 155 Ca 0.06 -3.58 -0.31 0.00 -0.26 0.00 0.00 57.72 53.63 1pbo n HIS 155 Cb 0.30 -0.34 0.10 0.00 1.12 0.00 0.00 29.99 31.18 1pbo n HIS 155 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1pbo s PRO 156 N -1.20 2.00 0.00 -0.41 0.04 -1.12 -4.78 135.00 129.53 1pbo s PRO 156 Ca 0.35 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1pbo s PRO 156 Cb 0.16 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1pbo s PRO 156 CO -0.11 -1.82 0.00 0.72 0.04 0.00 0.00 177.00 175.83