#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2paq s GLN 3 N 0.00 4.56 -0.04 -1.58 -0.21 -1.26 -4.98 119.66 116.16 2paq s GLN 3 Ca 0.00 1.64 -0.02 0.00 0.02 0.00 0.00 55.36 57.00 2paq s GLN 3 Cb 0.00 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 2paq s GLN 3 CO 0.00 -0.01 0.08 0.45 -2.12 0.00 0.00 175.29 173.69 2paq s SER 4 N 0.40 5.72 -0.00 5.90 0.15 -1.26 -5.02 113.70 119.60 2paq s SER 4 Ca 0.52 0.20 0.18 0.00 0.70 0.00 0.00 55.95 57.55 2paq s SER 4 Cb -0.27 -1.68 0.51 0.00 -1.71 0.00 0.00 66.02 62.87 2paq s SER 4 CO 0.31 0.31 1.42 1.41 1.20 0.00 0.00 173.24 177.90 2paq n HIS 5 N 1.49 0.78 0.16 3.44 -0.00 -1.26 -4.70 115.22 115.13 2paq n HIS 5 Ca -0.15 -0.39 -0.15 0.00 -0.00 0.00 0.00 57.72 57.03 2paq n HIS 5 Cb 0.53 -0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.44 2paq n HIS 5 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 2paq h PHE 6 N 3.36 -1.14 -0.06 4.41 3.57 -1.95 -0.30 116.94 124.83 2paq h PHE 6 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2paq h PHE 6 Cb 0.78 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2paq h PHE 6 CO 0.39 -0.53 -0.59 0.74 -2.23 0.00 0.00 178.31 176.09 2paq h PHE 7 N -0.71 0.26 -0.73 0.41 0.04 -1.99 -1.43 116.94 112.80 2paq h PHE 7 Ca 0.00 -0.10 0.10 0.00 2.80 0.00 0.00 57.97 60.77 2paq h PHE 7 Cb 0.70 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.72 2paq h PHE 7 CO -0.31 0.74 0.36 0.00 -0.60 0.00 0.00 178.31 178.51 2paq h ALA 8 N 1.23 1.02 -0.09 2.45 0.00 -1.77 -0.32 119.26 121.77 2paq h ALA 8 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2paq h ALA 8 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2paq h ALA 8 CO 0.09 -0.05 -0.21 0.45 0.00 0.00 0.00 179.25 179.53 2paq h HIS 9 N 0.61 0.38 -1.01 0.00 3.86 -0.37 -3.10 115.15 115.51 2paq h HIS 9 Ca 0.36 -0.15 0.24 0.00 -1.16 0.00 0.00 60.37 59.67 2paq h HIS 9 Cb 0.40 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 28.69 2paq h HIS 9 CO -0.11 0.82 0.62 -0.07 0.86 0.00 0.00 177.93 180.06 2paq h LEU 10 N -0.16 0.62 0.00 2.43 4.07 -0.91 0.15 115.31 121.50 2paq h LEU 10 Ca -0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2paq h LEU 10 Cb 0.82 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2paq h LEU 10 CO 0.05 0.13 0.05 -1.54 -1.08 0.00 0.00 178.44 176.04 2paq n SER 11 N -4.77 0.00 -0.84 -0.43 3.41 -0.16 -1.46 113.62 109.36 2paq n SER 11 Ca 0.26 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2paq n SER 11 Cb 0.76 -0.39 0.26 0.00 -0.26 0.00 0.00 64.21 64.58 2paq n SER 11 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2paq n ARG 12 N -1.38 2.14 -0.29 4.33 1.74 0.54 -4.37 116.66 119.37 2paq n ARG 12 Ca 0.00 -1.68 0.01 0.00 -0.77 0.00 0.00 57.85 55.41 2paq n ARG 12 Cb 0.05 -1.47 0.21 0.00 -1.02 0.00 0.00 32.46 30.22 2paq n ARG 12 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2paq h LEU 13 N 3.81 0.96 -2.54 0.55 3.38 -1.42 -1.34 115.31 118.70 2paq h LEU 13 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2paq h LEU 13 Cb 0.82 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2paq h LEU 13 CO 0.00 0.67 -0.01 0.07 0.09 0.00 0.00 178.44 179.26 2paq h LYS 14 N 1.12 0.00 0.00 1.13 2.10 -1.83 -2.03 116.57 117.06 2paq h LYS 14 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2paq h LYS 14 Cb -0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2paq h LYS 14 CO -0.10 0.01 -0.15 -0.07 -2.00 0.00 0.00 179.45 177.14 2paq h LEU 15 N 0.00 0.00 -9.03 7.07 4.07 -1.54 -3.43 115.31 112.45 2paq h LEU 15 Ca -0.00 -0.03 -0.61 0.00 0.08 0.00 0.00 57.88 57.32 2paq h LEU 15 Cb 0.14 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.76 2paq h LEU 15 CO 0.00 0.02 0.01 -0.63 -1.08 0.00 0.00 178.44 176.75 2paq s ILE 16 N -3.15 5.07 -0.03 1.22 1.01 -0.77 -4.99 121.20 119.56 2paq s ILE 16 Ca 0.09 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.61 2paq s ILE 16 Cb 0.11 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2paq s ILE 16 CO 0.64 0.11 0.25 0.20 0.00 0.00 0.00 174.94 176.14 2paq s ASN 17 N 1.39 6.50 0.47 3.58 0.01 -1.26 -1.04 114.94 124.59 2paq s ASN 17 Ca 0.23 0.57 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2paq s ASN 17 Cb -0.16 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.43 2paq s ASN 17 CO 0.09 0.30 0.65 -0.13 -1.51 0.00 0.00 177.10 176.51 2paq s ARG 18 N -1.50 2.70 -1.24 -0.60 0.52 0.52 -4.67 118.95 114.69 2paq s ARG 18 Ca 0.24 -1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 54.24 2paq s ARG 18 Cb -0.13 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 2paq s ARG 18 CO 0.13 -0.45 0.68 0.91 0.02 0.00 0.00 175.30 176.59 2paq n TRP 19 N -2.04 -1.87 0.37 -0.53 7.02 -1.26 -4.61 117.44 114.51 2paq n TRP 19 Ca 0.08 0.62 0.13 0.00 -1.02 0.00 0.00 57.50 57.31 2paq n TRP 19 Cb 0.59 -3.74 0.29 0.00 -2.42 0.00 0.00 31.31 26.03 2paq n TRP 19 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 2paq h PRO 20 N -1.84 0.00 -1.38 -0.99 0.13 -1.98 -3.45 132.00 122.50 2paq h PRO 20 Ca -0.64 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.36 2paq h PRO 20 Cb 1.36 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 2paq h PRO 20 CO 0.53 0.00 0.16 1.28 -0.23 0.00 0.00 178.00 179.74 2paq n LEU 21 N -2.79 4.75 -4.68 1.56 4.77 -1.26 -5.07 117.00 114.29 2paq n LEU 21 Ca 0.04 -2.34 -0.38 0.00 -0.03 0.00 0.00 56.01 53.30 2paq n LEU 21 Cb 0.47 -0.82 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2paq n LEU 21 CO 0.32 0.85 0.11 -0.60 -1.33 0.00 0.00 177.39 176.73 2paq s ARG 23 N -0.73 4.19 -0.13 3.23 3.52 -1.26 -5.21 118.95 122.57 2paq s ARG 23 Ca 0.13 0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.92 2paq s ARG 23 Cb 0.10 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 2paq s ARG 23 CO 0.01 -0.02 0.00 -0.80 -0.81 0.00 0.00 175.30 173.69 2paq s ASN 24 N 0.99 5.21 0.16 -2.12 0.02 -1.26 -4.90 114.94 113.03 2paq s ASN 24 Ca 0.20 0.06 -0.13 0.00 -1.02 0.00 0.00 52.86 51.97 2paq s ASN 24 Cb -0.15 -1.67 0.05 0.00 0.02 0.00 0.00 41.25 39.51 2paq s ASN 24 CO 0.08 0.28 1.71 0.58 0.02 0.00 0.00 177.10 179.77 2paq h VAL 25 N 4.58 1.22 -3.38 1.60 2.07 -1.97 -3.41 116.25 116.97 2paq h VAL 25 Ca -0.42 -0.69 -0.43 0.00 0.82 0.00 0.00 66.70 65.98 2paq h VAL 25 Cb 1.19 0.67 -0.35 0.00 -1.52 0.00 0.00 31.29 31.27 2paq h VAL 25 CO 0.60 0.26 -0.78 -0.60 0.02 0.00 0.00 177.57 177.08 2paq s ARG 26 N -5.54 0.87 0.15 1.57 3.52 -1.26 -5.12 118.95 113.14 2paq s ARG 26 Ca -0.13 -0.07 -0.31 0.00 -0.13 0.00 0.00 55.73 55.09 2paq s ARG 26 Cb 0.12 -0.97 -0.09 0.00 -1.56 0.00 0.00 34.95 32.45 2paq s ARG 26 CO 0.78 -0.15 1.40 0.99 -0.81 0.00 0.00 175.30 177.51 2paq s THR 27 N 1.27 3.14 -0.19 4.11 2.01 -1.26 -5.02 115.64 119.70 2paq s THR 27 Ca -0.05 0.85 -0.06 0.00 0.31 0.00 0.00 61.69 62.73 2paq s THR 27 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2paq s THR 27 CO -0.02 0.08 0.03 -0.70 -0.69 0.00 0.00 174.62 173.32 2paq s GLU 28 N 0.77 3.79 0.47 4.92 2.12 -1.26 -5.03 118.70 124.48 2paq s GLU 28 Ca 0.63 -0.44 0.07 0.00 0.36 0.00 0.00 54.97 55.60 2paq s GLU 28 Cb -0.38 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 30.90 2paq s GLU 28 CO 0.33 0.14 0.65 0.54 -0.54 0.00 0.00 175.26 176.38 2paq s ASN 29 N 0.70 5.47 0.36 -1.70 2.20 -1.26 -0.35 114.94 120.35 2paq s ASN 29 Ca 0.02 -0.45 0.17 0.00 -0.94 0.00 0.00 52.86 51.66 2paq s ASN 29 Cb -0.14 -0.48 0.62 0.00 -2.00 0.00 0.00 41.25 39.25 2paq s ASN 29 CO 0.02 -0.95 1.71 0.58 -2.94 0.00 0.00 177.10 175.52 2paq h VAL 30 N 0.45 0.97 -0.21 3.54 2.07 -1.05 -1.80 116.25 120.21 2paq h VAL 30 Ca -0.38 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 65.45 2paq h VAL 30 Cb 1.28 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2paq h VAL 30 CO 0.45 0.40 -0.13 -1.28 0.02 0.00 0.00 177.57 177.03 2paq h SER 31 N 0.00 0.48 -0.12 0.57 0.87 -1.84 -0.92 113.55 112.59 2paq h SER 31 Ca -0.00 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2paq h SER 31 Cb 0.93 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2paq h SER 31 CO 0.05 0.81 0.07 -0.33 -0.53 0.00 0.00 176.83 176.90 2paq h GLU 32 N 0.16 0.16 -0.80 2.24 5.08 -1.87 -1.66 114.58 117.89 2paq h GLU 32 Ca 0.04 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2paq h GLU 32 Cb 0.64 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2paq h GLU 32 CO 0.04 0.14 0.45 1.25 -1.00 0.00 0.00 179.01 179.89 2paq h HIS 33 N 0.13 0.82 -0.33 4.33 2.76 -1.28 -2.70 115.15 118.88 2paq h HIS 33 Ca 0.04 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.08 2paq h HIS 33 Cb 0.02 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.73 2paq h HIS 33 CO -0.06 0.34 -0.44 0.77 -1.30 0.00 0.00 177.93 177.24 2paq h SER 34 N 0.77 0.97 -0.76 3.26 0.02 -0.90 -0.11 113.55 116.79 2paq h SER 34 Ca 0.38 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2paq h SER 34 Cb 0.33 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2paq h SER 34 CO -0.24 1.27 0.32 0.25 -1.14 0.00 0.00 176.83 177.29 2paq h LEU 35 N 0.68 1.04 -0.40 5.07 5.85 -1.20 -0.67 115.31 125.68 2paq h LEU 35 Ca 0.04 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2paq h LEU 35 Cb 1.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2paq h LEU 35 CO 0.10 0.92 -0.13 -0.61 -0.34 0.00 0.00 178.44 178.38 2paq h GLN 36 N 1.10 0.81 -0.72 1.25 4.15 -1.13 -2.70 115.11 117.86 2paq h GLN 36 Ca 0.26 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 2paq h GLN 36 Cb 0.19 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 2paq h GLN 36 CO -0.02 0.95 0.28 0.28 -1.93 0.00 0.00 178.83 178.39 2paq h VAL 37 N 0.62 1.25 0.00 2.39 2.07 -0.92 0.31 116.25 121.97 2paq h VAL 37 Ca 0.10 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2paq h VAL 37 Cb 0.67 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2paq h VAL 37 CO 0.05 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.95 2paq n ALA 38 N -2.41 1.01 0.00 1.67 0.00 -0.27 -0.93 120.51 119.58 2paq n ALA 38 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2paq n ALA 38 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2paq n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2paq n VAL 40 N 0.50 0.00 -0.09 0.00 0.31 0.10 -1.67 118.33 117.47 2paq n VAL 40 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2paq n VAL 40 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2paq n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2paq h ALA 41 N 0.00 0.40 -0.54 3.52 0.00 -1.27 0.14 119.26 121.50 2paq h ALA 41 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2paq h ALA 41 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2paq h ALA 41 CO 0.00 0.30 0.33 1.25 0.00 0.00 0.00 179.25 181.14 2paq h HIS 42 N 0.34 0.63 -0.60 0.00 -0.00 -1.55 -1.64 115.15 112.32 2paq h HIS 42 Ca 0.06 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2paq h HIS 42 Cb 0.69 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 2paq h HIS 42 CO 0.06 0.37 0.37 0.00 -0.00 0.00 0.00 177.93 178.74 2paq h ALA 43 N 1.22 0.78 -0.88 5.26 0.00 -1.75 -1.32 119.26 122.57 2paq h ALA 43 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2paq h ALA 43 Cb -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2paq h ALA 43 CO -0.08 0.11 0.57 -0.07 0.00 0.00 0.00 179.25 179.79 2paq h LEU 44 N 0.73 0.95 -0.20 0.00 3.38 -0.48 -0.38 115.31 119.32 2paq h LEU 44 Ca 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2paq h LEU 44 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2paq h LEU 44 CO -0.10 0.66 0.08 0.00 0.09 0.00 0.00 178.44 179.17 2paq h ALA 45 N 1.36 0.26 -0.54 1.53 0.00 -1.16 -0.74 119.26 119.98 2paq h ALA 45 Ca 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2paq h ALA 45 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2paq h ALA 45 CO -0.11 -0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.32 2paq h ALA 46 N 0.91 0.69 -0.25 0.00 0.00 -1.00 -0.97 119.26 118.65 2paq h ALA 46 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2paq h ALA 46 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2paq h ALA 46 CO -0.00 0.18 0.16 0.82 0.00 0.00 0.00 179.25 180.40 2paq h ILE 47 N 0.72 1.08 -0.85 0.00 2.04 -1.01 0.32 117.51 119.81 2paq h ILE 47 Ca 0.19 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2paq h ILE 47 Cb 0.01 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2paq h ILE 47 CO -0.03 0.08 0.52 0.50 0.00 0.00 0.00 178.15 179.22 2paq h LYS 48 N 0.32 1.15 -0.20 2.37 3.64 -0.78 0.34 116.57 123.41 2paq h LYS 48 Ca 0.09 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2paq h LYS 48 Cb -0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2paq h LYS 48 CO -0.02 0.80 0.03 -0.91 -2.27 0.00 0.00 179.45 177.08 2paq h ASN 49 N 1.17 0.32 0.11 4.20 2.35 -1.03 0.53 115.58 123.22 2paq h ASN 49 Ca 0.31 -0.26 -0.22 0.00 -0.55 0.00 0.00 56.30 55.58 2paq h ASN 49 Cb -0.06 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.23 2paq h ASN 49 CO -0.06 0.50 -0.84 -0.09 -1.65 0.00 0.00 177.43 175.29 2paq h ARG 50 N 0.12 0.57 0.00 0.81 9.65 -0.03 -3.37 114.38 122.14 2paq h ARG 50 Ca 0.06 -0.52 -0.01 0.00 -1.10 0.00 0.00 59.98 58.41 2paq h ARG 50 Cb 0.32 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 2paq h ARG 50 CO 0.00 1.14 -1.35 1.63 2.80 0.00 0.00 179.97 184.20 2paq n LYS 51 N -3.85 0.39 -1.62 0.20 5.02 0.08 -4.80 118.16 113.58 2paq n LYS 51 Ca -0.07 -0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.17 2paq n LYS 51 Cb 0.77 -1.18 0.06 0.00 -0.02 0.00 0.00 35.03 34.67 2paq n LYS 51 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2paq n PHE 52 N -1.79 0.45 -1.06 2.13 3.72 -0.49 -5.00 117.46 115.42 2paq n PHE 52 Ca -0.02 -1.15 -0.02 0.00 -0.05 0.00 0.00 57.45 56.21 2paq n PHE 52 Cb 0.23 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2paq n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2paq n GLY 53 N -0.13 0.54 3.80 1.37 0.00 -1.02 -4.86 105.19 104.88 2paq n GLY 53 Ca 0.12 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2paq n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2paq s GLY 54 N -2.40 1.69 -0.37 -0.02 0.00 0.06 -4.94 107.32 101.34 2paq s GLY 54 Ca 0.00 0.18 0.13 0.00 0.00 0.00 0.00 44.72 45.03 2paq s GLY 54 CO 0.00 0.51 0.89 -2.01 0.00 0.00 0.00 173.10 172.48 2paq n ASN 55 N -3.27 1.85 -4.87 1.64 2.85 -1.26 -4.48 115.26 107.71 2paq n ASN 55 Ca 0.08 -3.01 -0.37 0.00 -0.11 0.00 0.00 54.58 51.17 2paq n ASN 55 Cb 0.53 -0.56 -0.06 0.00 1.24 0.00 0.00 39.78 40.93 2paq n ASN 55 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2paq s VAL 56 N -3.26 5.39 -1.00 3.44 -7.23 -1.26 -5.02 120.40 111.46 2paq s VAL 56 Ca 0.36 0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 60.67 2paq s VAL 56 Cb 0.40 -3.48 0.04 0.00 0.56 0.00 0.00 36.38 33.89 2paq s VAL 56 CO -0.04 0.61 1.52 0.21 -0.31 0.00 0.00 175.10 177.08 2paq s ASN 57 N -1.01 6.31 0.46 4.85 3.84 -1.26 -4.87 114.94 123.26 2paq s ASN 57 Ca 0.17 -1.34 0.20 0.00 0.21 0.00 0.00 52.86 52.11 2paq s ASN 57 Cb -0.13 -2.57 1.12 0.00 -0.55 0.00 0.00 41.25 39.12 2paq s ASN 57 CO 0.06 -1.68 1.98 0.00 -2.79 0.00 0.00 177.10 174.66 2paq h ALA 58 N 10.01 1.40 -0.28 1.71 0.00 -1.92 -1.85 119.26 128.33 2paq h ALA 58 Ca 0.18 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2paq h ALA 58 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2paq h ALA 58 CO 1.40 0.26 -0.48 0.93 0.00 0.00 0.00 179.25 181.35 2paq h GLU 59 N 0.00 0.81 -0.83 0.00 3.07 -1.93 -2.23 114.58 113.48 2paq h GLU 59 Ca -0.00 -0.51 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2paq h GLU 59 Cb 0.43 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2paq h GLU 59 CO 0.03 1.14 0.50 -0.09 -1.40 0.00 0.00 179.01 179.18 2paq h ARG 60 N 0.57 1.12 -0.53 2.33 9.65 -1.79 -2.65 114.38 123.08 2paq h ARG 60 Ca 0.02 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.81 2paq h ARG 60 Cb 1.09 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.40 2paq h ARG 60 CO 0.11 0.79 0.33 0.82 2.80 0.00 0.00 179.97 184.82 2paq h ILE 61 N 1.13 1.10 -0.35 1.20 1.08 -1.16 -0.45 117.51 120.07 2paq h ILE 61 Ca 0.30 -0.23 0.07 0.00 -0.39 0.00 0.00 64.86 64.61 2paq h ILE 61 Cb -0.04 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 34.00 2paq h ILE 61 CO -0.06 0.12 -0.10 0.00 -0.69 0.00 0.00 178.15 177.43 2paq h ALA 62 N 1.21 0.21 -0.70 1.87 0.00 -1.11 -0.86 119.26 119.88 2paq h ALA 62 Ca 0.20 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2paq h ALA 62 Cb -0.03 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2paq h ALA 62 CO -0.07 -0.47 0.32 1.25 0.00 0.00 0.00 179.25 180.28 2paq h LEU 63 N -0.02 0.94 -0.55 0.00 5.85 -1.03 -2.51 115.31 117.98 2paq h LEU 63 Ca 0.17 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2paq h LEU 63 Cb 0.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2paq h LEU 63 CO -0.37 0.82 0.33 -0.07 -0.34 0.00 0.00 178.44 178.82 2paq h LEU 64 N 0.99 0.67 -2.79 2.25 3.38 -0.86 -2.90 115.31 116.05 2paq h LEU 64 Ca 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2paq h LEU 64 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2paq h LEU 64 CO -0.03 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2paq n ALA 65 N -2.28 1.63 0.00 1.53 0.00 -0.35 -1.22 120.51 119.82 2paq n ALA 65 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2paq n ALA 65 Cb 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2paq n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2paq n TYR 67 N 1.37 0.00 -0.23 0.00 4.01 -1.10 -4.58 117.16 116.63 2paq n TYR 67 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 2paq n TYR 67 Cb 0.04 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.25 2paq n TYR 67 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2paq h HIS 68 N 0.00 1.02 -0.58 -0.72 2.76 -1.37 -1.63 115.15 114.63 2paq h HIS 68 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2paq h HIS 68 Cb 0.00 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.63 2paq h HIS 68 CO 0.00 0.71 0.00 -0.25 -1.30 0.00 0.00 177.93 177.09 2paq n ASP 69 N -4.35 4.37 -0.30 3.26 8.00 -1.26 -4.73 116.55 121.54 2paq n ASP 69 Ca 0.08 -2.41 -0.02 0.00 0.71 0.00 0.00 54.79 53.15 2paq n ASP 69 Cb 0.10 -0.52 0.11 0.00 -0.02 0.00 0.00 41.12 40.79 2paq n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2paq h ALA 70 N 3.60 1.08 -0.01 2.24 0.00 -1.64 -2.16 119.26 122.37 2paq h ALA 70 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2paq h ALA 70 Cb 1.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2paq h ALA 70 CO 0.18 0.33 0.35 0.66 0.00 0.00 0.00 179.25 180.77 2paq h SER 71 N 1.01 0.00 0.35 0.00 4.64 -1.85 -2.69 113.55 115.01 2paq h SER 71 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2paq h SER 71 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2paq h SER 71 CO -0.12 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.51 2paq h GLU 72 N 0.00 0.00 -0.04 4.77 5.08 -1.66 0.87 114.58 123.60 2paq h GLU 72 Ca 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2paq h GLU 72 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2paq h GLU 72 CO -0.00 0.00 0.06 -0.39 -1.00 0.00 0.00 179.01 177.68 2paq h VAL 73 N 0.00 0.34 0.00 3.13 -1.51 -1.70 0.10 116.25 116.61 2paq h VAL 73 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.33 2paq h VAL 73 Cb 0.18 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 30.25 2paq h VAL 73 CO 0.00 0.00 -1.98 0.18 -1.23 0.00 0.00 177.57 174.54 2paq n LEU 74 N -3.57 0.18 -0.01 4.19 4.77 0.29 -4.62 117.00 118.23 2paq n LEU 74 Ca -0.02 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 2paq n LEU 74 Cb 0.15 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2paq n LEU 74 CO 0.25 0.17 -0.63 0.35 -1.33 0.00 0.00 177.39 176.19 2paq n THR 75 N -2.53 0.14 -1.57 -5.08 -2.24 -1.13 -5.11 114.28 96.76 2paq n THR 75 Ca -0.14 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2paq n THR 75 Cb 0.80 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2paq n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2paq n GLY 76 N 2.19 -2.30 3.65 3.38 0.00 0.01 -4.85 105.19 107.26 2paq n GLY 76 Ca -0.04 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 2paq n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2paq s ASP 77 N -2.76 6.43 -0.32 1.61 2.15 -1.26 -4.68 116.67 117.85 2paq s ASP 77 Ca 0.00 0.51 -0.08 0.00 0.43 0.00 0.00 52.55 53.41 2paq s ASP 77 Cb 0.00 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 40.38 2paq s ASP 77 CO 0.00 -0.16 0.12 -0.22 -0.17 0.00 0.00 175.17 174.74 2paq s LEU 78 N 1.72 4.11 0.41 -1.34 1.98 -1.26 -5.06 118.68 119.23 2paq s LEU 78 Ca 0.20 -0.77 -0.25 0.00 -2.89 0.00 0.00 54.13 50.41 2paq s LEU 78 Cb -0.15 -1.93 -0.08 0.00 0.66 0.00 0.00 46.19 44.69 2paq s LEU 78 CO 0.09 -0.24 1.18 -2.16 -1.89 0.00 0.00 176.35 173.33 2paq s PRO 79 N 1.52 4.01 -0.23 0.98 0.04 -1.26 -5.00 135.00 135.06 2paq s PRO 79 Ca 0.02 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 2paq s PRO 79 Cb -0.18 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2paq s PRO 79 CO 0.04 -0.36 0.10 0.95 0.04 0.00 0.00 177.00 177.76 2paq s THR 80 N -1.41 4.76 -0.10 1.26 -4.23 -1.26 -5.17 115.64 109.49 2paq s THR 80 Ca 0.58 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2paq s THR 80 Cb -0.31 -3.20 -0.25 0.00 1.34 0.00 0.00 72.50 70.08 2paq s THR 80 CO 0.39 0.36 0.43 -0.81 -0.54 0.00 0.00 174.62 174.46 2paq n PRO 81 N 4.41 0.71 0.00 3.99 -0.04 -1.26 -5.18 135.00 137.63 2paq n PRO 81 Ca -0.16 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2paq n PRO 81 Cb 0.52 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2paq n PRO 81 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2paq n GLU 92 N -3.29 0.00 0.20 0.54 -0.00 -1.26 -5.14 120.64 111.69 2paq n GLU 92 Ca -0.27 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 56.97 2paq n GLU 92 Cb 1.05 0.00 0.35 0.00 -0.00 0.00 0.00 31.44 32.84 2paq n GLU 92 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 2paq h TYR 93 N 0.00 0.00 -0.63 -1.84 3.20 -2.05 0.52 116.97 116.17 2paq h TYR 93 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 2paq h TYR 93 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2paq h TYR 93 CO 0.00 0.28 0.60 0.87 -1.64 0.00 0.00 178.16 178.27 2paq h LYS 94 N 0.00 0.00 0.07 1.82 6.56 -2.05 -0.37 116.57 122.60 2paq h LYS 94 Ca -0.00 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.34 2paq h LYS 94 Cb 0.90 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2paq h LYS 94 CO 0.04 0.00 -1.09 0.00 -2.06 0.00 0.00 179.45 176.33 2paq h ALA 95 N 1.39 0.25 0.00 3.86 0.00 -0.39 0.42 119.26 124.79 2paq h ALA 95 Ca 0.30 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.41 2paq h ALA 95 Cb 1.50 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2paq h ALA 95 CO -0.00 0.96 -0.19 0.82 0.00 0.00 0.00 179.25 180.84 2paq h ILE 96 N 0.10 0.55 0.13 0.00 1.08 -1.20 -2.70 117.51 115.47 2paq h ILE 96 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2paq h ILE 96 Cb 1.79 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 2paq h ILE 96 CO 0.18 0.00 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.19 2paq h GLU 97 N -0.31 -0.26 -0.99 2.37 5.08 -1.03 -0.86 114.58 118.58 2paq h GLU 97 Ca 0.06 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2paq h GLU 97 Cb 0.38 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 2paq h GLU 97 CO -0.18 -0.17 0.63 0.87 -1.00 0.00 0.00 179.01 179.16 2paq h LYS 98 N -0.26 1.03 -0.48 2.33 1.57 -0.91 -0.51 116.57 119.33 2paq h LYS 98 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2paq h LYS 98 Cb 0.25 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2paq h LYS 98 CO -0.02 0.68 -0.02 0.82 -0.57 0.00 0.00 179.45 180.34 2paq h ILE 99 N 1.06 1.26 -0.41 1.86 1.08 -1.02 -1.98 117.51 119.37 2paq h ILE 99 Ca 0.47 -1.10 -0.08 0.00 -0.39 0.00 0.00 64.86 63.76 2paq h ILE 99 Cb 0.35 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2paq h ILE 99 CO -0.23 0.38 -0.06 0.00 -0.69 0.00 0.00 178.15 177.56 2paq h ALA 100 N 0.92 0.56 -0.66 1.87 0.00 -0.40 -0.10 119.26 121.45 2paq h ALA 100 Ca 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2paq h ALA 100 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2paq h ALA 100 CO 0.03 0.40 0.37 1.96 0.00 0.00 0.00 179.25 182.01 2paq h GLN 101 N 0.59 0.91 -0.35 0.00 4.20 -0.99 -0.62 115.11 118.85 2paq h GLN 101 Ca 0.11 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2paq h GLN 101 Cb 0.57 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2paq h GLN 101 CO 0.03 0.67 0.09 1.96 -0.67 0.00 0.00 178.83 180.92 2paq h GLN 102 N 0.89 0.55 -0.54 1.46 4.20 -0.87 -0.09 115.11 120.71 2paq h GLN 102 Ca 0.23 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2paq h GLN 102 Cb 0.02 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2paq h GLN 102 CO -0.04 0.59 0.36 0.87 -0.67 0.00 0.00 178.83 179.94 2paq h LYS 103 N 0.41 0.66 0.03 1.46 1.57 -0.91 0.47 116.57 120.25 2paq h LYS 103 Ca 0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2paq h LYS 103 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2paq h LYS 103 CO -0.00 0.44 -0.01 1.25 -0.57 0.00 0.00 179.45 180.55 2paq h LEU 104 N 0.68 -0.03 -1.45 2.94 5.85 -0.79 -3.09 115.31 119.42 2paq h LEU 104 Ca 0.21 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.50 2paq h LEU 104 Cb -0.00 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2paq h LEU 104 CO -0.05 0.51 0.47 0.58 -0.34 0.00 0.00 178.44 179.61 2paq h VAL 105 N -0.58 0.94 0.00 1.05 2.07 -0.69 -3.32 116.25 115.72 2paq h VAL 105 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2paq h VAL 105 Cb 0.54 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2paq h VAL 105 CO 0.01 0.11 0.25 0.47 0.02 0.00 0.00 177.57 178.43 2paq n ASP 106 N -4.49 1.01 -1.20 0.57 8.00 0.16 -4.84 116.55 115.77 2paq n ASP 106 Ca 0.12 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2paq n ASP 106 Cb 0.32 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2paq n ASP 106 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2paq n VAL 108 N 2.66 0.00 -1.66 2.53 0.31 -1.25 -5.01 118.33 115.91 2paq n VAL 108 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 2paq n VAL 108 Cb 0.16 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.12 2paq n VAL 108 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2paq n PRO 109 N -0.25 1.46 -0.35 5.55 -0.02 -1.26 -4.69 135.00 135.45 2paq n PRO 109 Ca 0.00 0.53 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 2paq n PRO 109 Cb 0.00 -2.27 0.19 0.00 -0.02 0.00 0.00 33.50 31.41 2paq n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2paq h GLU 110 N 1.40 1.01 0.00 -0.52 4.81 -1.96 -0.66 114.58 118.67 2paq h GLU 110 Ca -0.48 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2paq h GLU 110 Cb 1.33 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2paq h GLU 110 CO 0.56 0.67 0.00 -0.85 -0.73 0.00 0.00 179.01 178.66 2paq n GLU 111 N -4.59 0.11 0.00 1.92 0.28 -1.26 -2.87 120.64 114.23 2paq n GLU 111 Ca 0.16 0.33 0.03 0.00 -0.16 0.00 0.00 57.16 57.52 2paq n GLU 111 Cb 0.26 -1.70 0.01 0.00 1.43 0.00 0.00 31.44 31.43 2paq n GLU 111 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2paq n LEU 112 N -1.91 1.12 -0.07 -1.84 4.77 -0.34 -4.79 117.00 113.93 2paq n LEU 112 Ca 0.03 -0.85 -0.04 0.00 -0.03 0.00 0.00 56.01 55.12 2paq n LEU 112 Cb 0.22 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.49 2paq n LEU 112 CO 0.18 0.24 0.84 -0.09 -1.33 0.00 0.00 177.39 177.23 2paq h ARG 113 N 0.82 0.70 0.00 3.23 2.43 -1.17 -1.73 114.38 118.66 2paq h ARG 113 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2paq h ARG 113 Cb 0.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2paq h ARG 113 CO 0.00 0.76 0.00 0.38 -1.51 0.00 0.00 179.97 179.60 2paq h ASP 114 N 0.64 0.00 -0.20 -3.80 2.03 -1.87 -0.90 116.42 112.32 2paq h ASP 114 Ca 0.12 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.22 2paq h ASP 114 Cb 0.50 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.01 2paq h ASP 114 CO 0.03 0.00 -0.64 0.40 -1.03 0.00 0.00 179.24 178.00 2paq h ILE 115 N 0.00 1.29 0.00 4.15 1.08 -1.67 -3.39 117.51 118.97 2paq h ILE 115 Ca 0.00 -1.84 -0.20 0.00 -0.39 0.00 0.00 64.86 62.43 2paq h ILE 115 Cb 0.27 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.85 2paq h ILE 115 CO 0.00 0.59 -1.99 0.49 -0.69 0.00 0.00 178.15 176.54 2paq n PHE 116 N -4.02 0.28 -0.10 1.37 3.72 -0.99 -4.42 117.46 113.31 2paq n PHE 116 Ca -0.06 0.09 -0.06 0.00 -0.05 0.00 0.00 57.45 57.37 2paq n PHE 116 Cb 0.68 -0.87 0.01 0.00 -0.94 0.00 0.00 39.48 38.35 2paq n PHE 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2paq h ALA 117 N 1.42 0.36 0.00 4.37 0.00 -1.36 -1.16 119.26 122.89 2paq h ALA 117 Ca -0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2paq h ALA 117 Cb 1.68 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2paq h ALA 117 CO 0.03 -0.34 0.00 -0.35 0.00 0.00 0.00 179.25 178.59 2paq n PRO 118 N -5.09 0.91 0.01 0.00 -0.04 -1.26 -1.98 135.00 127.55 2paq n PRO 118 Ca 0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 2paq n PRO 118 Cb 0.15 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 2paq n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2paq n LEU 119 N -0.96 2.44 0.03 1.53 4.77 -0.49 -4.49 117.00 119.83 2paq n LEU 119 Ca 0.20 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.29 2paq n LEU 119 Cb 0.09 -0.98 -0.14 0.00 -2.33 0.00 0.00 43.42 40.06 2paq n LEU 119 CO 0.15 0.80 -0.40 0.40 -1.33 0.00 0.00 177.39 177.02 2paq h ILE 120 N 0.07 1.06 -3.36 -0.08 2.04 -1.32 -3.39 117.51 112.52 2paq h ILE 120 Ca -0.41 -2.78 -0.68 0.00 1.00 0.00 0.00 64.86 61.99 2paq h ILE 120 Cb 2.04 2.63 -0.18 0.00 -0.74 0.00 0.00 36.82 40.57 2paq h ILE 120 CO 0.09 0.74 0.02 -1.81 0.00 0.00 0.00 178.15 177.20 2paq s ASP 121 N -6.67 6.24 0.60 1.72 1.11 -0.84 -4.87 116.67 113.96 2paq s ASP 121 Ca -0.08 -0.76 0.36 0.00 0.18 0.00 0.00 52.55 52.24 2paq s ASP 121 Cb 0.08 -2.29 1.91 0.00 1.07 0.00 0.00 42.92 43.69 2paq s ASP 121 CO 0.83 -0.82 2.22 -0.08 1.18 0.00 0.00 175.17 178.50 2paq h GLU 122 N 8.93 0.00 0.00 8.23 4.81 -1.88 -1.96 114.58 132.71 2paq h GLU 122 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2paq h GLU 122 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2paq h GLU 122 CO 0.92 0.03 0.00 0.45 -0.73 0.00 0.00 179.01 179.69 2paq h HIS 123 N 0.00 0.00 -0.00 0.92 3.86 -1.96 -1.86 115.15 116.11 2paq h HIS 123 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2paq h HIS 123 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2paq h HIS 123 CO 0.00 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.77 2paq n ALA 124 N -2.04 2.62 -1.98 2.45 0.00 -0.74 -4.88 120.51 115.94 2paq n ALA 124 Ca 0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2paq n ALA 124 Cb 0.31 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 2paq n ALA 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2paq s TYR 125 N -2.27 3.89 0.90 0.00 1.51 -0.70 -4.99 117.35 115.69 2paq s TYR 125 Ca 0.38 1.63 -0.11 0.00 -1.01 0.00 0.00 57.07 57.96 2paq s TYR 125 Cb 0.21 -2.76 0.14 0.00 -0.11 0.00 0.00 41.96 39.44 2paq s TYR 125 CO 0.42 0.50 1.12 -1.54 -1.11 0.00 0.00 175.55 174.93 2paq s SER 126 N -1.19 3.15 0.36 2.29 1.04 -1.26 -4.73 113.70 113.35 2paq s SER 126 Ca 0.36 1.97 0.05 0.00 0.48 0.00 0.00 55.95 58.82 2paq s SER 126 Cb -0.23 -2.50 0.72 0.00 0.10 0.00 0.00 66.02 64.11 2paq s SER 126 CO 0.26 -2.92 1.97 0.44 0.98 0.00 0.00 173.24 173.96 2paq h ASP 127 N -1.74 0.68 -0.19 7.02 3.32 -1.98 -0.24 116.42 123.29 2paq h ASP 127 Ca -0.46 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 2paq h ASP 127 Cb 1.27 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2paq h ASP 127 CO 0.46 0.45 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.97 2paq h GLU 128 N 0.78 0.59 -0.29 3.56 4.81 -1.99 -1.44 114.58 120.60 2paq h GLU 128 Ca 0.30 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2paq h GLU 128 Cb 0.19 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2paq h GLU 128 CO -0.09 1.00 0.18 0.93 -0.73 0.00 0.00 179.01 180.30 2paq h GLU 129 N 0.26 0.40 -0.47 1.92 5.08 -1.83 -0.29 114.58 119.65 2paq h GLU 129 Ca 0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2paq h GLU 129 Cb 0.98 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2paq h GLU 129 CO 0.08 0.29 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.11 2paq h LYS 130 N 0.38 0.83 0.09 2.33 3.64 -1.07 -1.54 116.57 121.24 2paq h LYS 130 Ca 0.11 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2paq h LYS 130 Cb -0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2paq h LYS 130 CO -0.02 0.87 -0.17 1.03 -2.27 0.00 0.00 179.45 178.89 2paq h SER 131 N 0.76 -0.47 -0.62 4.20 0.87 -0.82 -1.31 113.55 116.15 2paq h SER 131 Ca 0.14 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2paq h SER 131 Cb 0.54 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2paq h SER 131 CO 0.03 -0.25 0.41 -0.07 -0.53 0.00 0.00 176.83 176.43 2paq h LEU 132 N -0.33 0.71 -0.63 2.23 3.38 -0.95 0.16 115.31 119.88 2paq h LEU 132 Ca 0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2paq h LEU 132 Cb 0.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2paq h LEU 132 CO -0.10 0.51 0.19 0.58 0.09 0.00 0.00 178.44 179.72 2paq h VAL 133 N 0.84 1.25 0.00 1.22 2.07 -1.20 -1.31 116.25 119.11 2paq h VAL 133 Ca 0.23 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 2paq h VAL 133 Cb -0.09 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2paq h VAL 133 CO -0.05 0.32 -0.66 0.11 0.02 0.00 0.00 177.57 177.31 2paq h LYS 134 N 0.91 0.00 -0.37 1.57 1.57 -0.85 -1.67 116.57 117.73 2paq h LYS 134 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2paq h LYS 134 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2paq h LYS 134 CO -0.01 0.66 0.18 1.96 -0.57 0.00 0.00 179.45 181.68 2paq h GLN 135 N 0.00 0.53 -0.37 3.15 4.20 -0.45 -2.67 115.11 119.50 2paq h GLN 135 Ca -0.01 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 2paq h GLN 135 Cb 1.32 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2paq h GLN 135 CO 0.09 0.47 -0.37 0.00 -0.67 0.00 0.00 178.83 178.34 2paq h ALA 136 N 1.04 0.64 -0.35 3.87 0.00 -1.03 -1.86 119.26 121.57 2paq h ALA 136 Ca 0.13 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2paq h ALA 136 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2paq h ALA 136 CO -0.02 0.67 0.21 0.22 0.00 0.00 0.00 179.25 180.34 2paq h ASP 137 N 0.72 0.41 -0.65 0.00 3.58 -1.33 -0.66 116.42 118.49 2paq h ASP 137 Ca 0.06 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2paq h ASP 137 Cb 0.95 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 2paq h ASP 137 CO 0.09 0.34 0.15 0.00 -2.88 0.00 0.00 179.24 176.94 2paq h ALA 138 N 1.09 1.00 -0.35 -0.78 0.00 -1.41 -1.01 119.26 117.81 2paq h ALA 138 Ca 0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2paq h ALA 138 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2paq h ALA 138 CO -0.02 0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 179.74 2paq h LEU 139 N 1.01 0.65 -0.40 0.00 -0.00 -1.08 0.59 115.31 116.08 2paq h LEU 139 Ca 0.21 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2paq h LEU 139 Cb 0.37 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2paq h LEU 139 CO 0.00 0.85 0.24 0.00 -0.00 0.00 0.00 178.44 179.54 2paq h ALA 141 N 1.17 0.59 -0.32 0.00 0.00 -1.15 -0.95 119.26 118.60 2paq h ALA 141 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2paq h ALA 141 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2paq h ALA 141 CO -0.06 -0.21 0.13 -0.92 0.00 0.00 0.00 179.25 178.18 2paq h TYR 142 N 0.35 0.50 -0.44 0.00 3.20 -0.37 -2.24 116.97 117.98 2paq h TYR 142 Ca 0.23 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.13 2paq h TYR 142 Cb 0.23 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2paq h TYR 142 CO -0.16 0.48 0.30 -0.07 -1.64 0.00 0.00 178.16 177.07 2paq h LEU 143 N 0.37 0.25 -0.78 2.82 3.38 0.63 -1.35 115.31 120.63 2paq h LEU 143 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2paq h LEU 143 Cb 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2paq h LEU 143 CO -0.01 0.16 -0.16 0.50 0.09 0.00 0.00 178.44 179.02 2paq h LYS 144 N 0.28 0.75 -0.00 1.13 1.63 -0.60 -1.66 116.57 118.10 2paq h LYS 144 Ca 0.20 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2paq h LYS 144 Cb 0.41 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2paq h LYS 144 CO -0.04 0.87 0.00 0.00 -3.45 0.00 0.00 179.45 176.83 2paq h LEU 146 N -0.13 0.55 -0.98 0.00 3.38 -1.13 0.67 115.31 117.67 2paq h LEU 146 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2paq h LEU 146 Cb 0.13 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2paq h LEU 146 CO -0.00 0.35 0.41 -0.33 0.09 0.00 0.00 178.44 178.96 2paq h GLU 147 N 0.69 1.13 -0.20 1.13 5.08 -1.15 0.34 114.58 121.61 2paq h GLU 147 Ca 0.31 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 2paq h GLU 147 Cb 0.22 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2paq h GLU 147 CO -0.20 0.85 -0.69 0.93 -1.00 0.00 0.00 179.01 178.90 2paq h GLU 148 N 1.13 0.79 -0.25 2.33 4.39 -0.89 -2.54 114.58 119.54 2paq h GLU 148 Ca 0.28 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2paq h GLU 148 Cb 0.07 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2paq h GLU 148 CO -0.04 1.21 0.15 -0.07 -1.16 0.00 0.00 179.01 179.09 2paq h LEU 149 N 0.57 0.31 -2.25 1.33 4.07 -0.60 0.50 115.31 119.23 2paq h LEU 149 Ca -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2paq h LEU 149 Cb 1.30 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.97 2paq h LEU 149 CO 0.14 0.28 -0.04 0.00 -1.08 0.00 0.00 178.44 177.74 2paq h ALA 150 N 1.04 1.53 -0.48 1.53 0.00 -0.16 -0.41 119.26 122.31 2paq h ALA 150 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2paq h ALA 150 Cb 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2paq h ALA 150 CO -0.02 0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.34 2paq n ALA 151 N -2.34 3.71 -2.35 0.00 0.00 -0.97 -4.89 120.51 113.67 2paq n ALA 151 Ca -0.03 -1.54 -0.10 0.00 0.00 0.00 0.00 53.44 51.77 2paq n ALA 151 Cb 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2paq n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2paq n GLY 152 N 0.33 -0.00 3.24 0.00 0.00 -0.16 -5.00 105.19 103.60 2paq n GLY 152 Ca 0.24 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2paq n GLY 152 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2paq s ASN 153 N -2.65 5.56 0.00 1.61 2.47 0.15 -4.96 114.94 117.12 2paq s ASN 153 Ca 0.05 -1.57 0.29 0.00 0.42 0.00 0.00 52.86 52.05 2paq s ASN 153 Cb -0.02 -1.96 1.19 0.00 -1.45 0.00 0.00 41.25 39.01 2paq s ASN 153 CO 0.06 -0.53 1.89 0.59 -3.72 0.00 0.00 177.10 175.40 2paq n ASN 154 N 4.86 0.05 0.26 -4.21 3.02 -1.26 -3.64 115.26 114.33 2paq n ASN 154 Ca -0.09 0.38 0.16 0.00 -0.03 0.00 0.00 54.58 54.99 2paq n ASN 154 Cb 0.43 -0.41 0.87 0.00 -0.61 0.00 0.00 39.78 40.05 2paq n ASN 154 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2paq h GLU 155 N 0.01 0.00 -0.39 3.52 5.08 -1.92 -2.38 114.58 118.49 2paq h GLU 155 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2paq h GLU 155 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2paq h GLU 155 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 2paq n PHE 156 N -3.85 0.48 0.22 4.33 3.01 -1.25 -4.42 117.46 115.98 2paq n PHE 156 Ca -0.01 -0.22 -0.15 0.00 1.01 0.00 0.00 57.45 58.08 2paq n PHE 156 Cb 0.19 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 2paq n PHE 156 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2paq h LEU 157 N 1.78 -0.44 -0.63 4.37 -0.00 -1.70 -1.90 115.31 116.79 2paq h LEU 157 Ca 0.00 -0.07 0.12 0.00 -0.00 0.00 0.00 57.88 57.93 2paq h LEU 157 Cb 0.52 0.11 -0.09 0.00 -0.00 0.00 0.00 40.66 41.21 2paq h LEU 157 CO 0.03 -0.20 0.17 0.17 -0.00 0.00 0.00 178.44 178.61 2paq h LEU 158 N -0.68 0.06 -0.75 1.67 -0.00 -1.83 -2.13 115.31 111.66 2paq h LEU 158 Ca -0.05 0.11 -0.10 0.00 -0.00 0.00 0.00 57.88 57.83 2paq h LEU 158 Cb 0.49 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2paq h LEU 158 CO 0.09 0.03 -0.18 0.00 -0.00 0.00 0.00 178.44 178.38 2paq h ALA 159 N 1.49 0.94 -0.52 0.17 0.00 -1.81 -2.02 119.26 117.51 2paq h ALA 159 Ca 0.34 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2paq h ALA 159 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2paq h ALA 159 CO -0.40 0.61 0.16 -0.22 0.00 0.00 0.00 179.25 179.40 2paq h LYS 160 N 0.68 0.81 -0.39 0.00 3.64 -0.98 0.21 116.57 120.53 2paq h LYS 160 Ca 0.10 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2paq h LYS 160 Cb 0.67 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2paq h LYS 160 CO 0.05 0.75 0.12 1.15 -2.27 0.00 0.00 179.45 179.25 2paq h THR 161 N 0.71 1.21 -0.03 1.00 2.02 -0.79 -1.24 112.91 115.80 2paq h THR 161 Ca 0.17 -0.70 -0.17 0.00 0.77 0.00 0.00 66.41 66.48 2paq h THR 161 Cb 0.28 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2paq h THR 161 CO -0.00 0.24 -0.75 0.08 0.37 0.00 0.00 175.52 175.46 2paq h ARG 162 N 0.48 0.20 -0.65 6.66 0.11 -1.17 -2.30 114.38 117.71 2paq h ARG 162 Ca 0.13 -0.18 0.12 0.00 0.10 0.00 0.00 59.98 60.15 2paq h ARG 162 Cb 0.25 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.33 2paq h ARG 162 CO -0.00 0.86 0.44 -0.07 0.10 0.00 0.00 179.97 181.30 2paq h LEU 163 N 0.13 0.36 -0.61 0.08 3.38 -0.40 -0.54 115.31 117.71 2paq h LEU 163 Ca -0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2paq h LEU 163 Cb 1.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2paq h LEU 163 CO 0.11 0.20 -0.43 -0.33 0.09 0.00 0.00 178.44 178.09 2paq h GLU 164 N 0.39 0.61 -0.51 1.13 5.08 -0.66 0.17 114.58 120.79 2paq h GLU 164 Ca 0.31 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2paq h GLU 164 Cb 0.68 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2paq h GLU 164 CO -0.09 0.93 0.19 0.00 -1.00 0.00 0.00 179.01 179.04 2paq h ALA 165 N 1.03 0.66 -0.61 3.43 0.00 -1.04 -2.50 119.26 120.22 2paq h ALA 165 Ca 0.04 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2paq h ALA 165 Cb 0.95 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2paq h ALA 165 CO 0.09 0.29 0.39 1.15 0.00 0.00 0.00 179.25 181.16 2paq h THR 166 N 0.69 1.10 -0.46 0.00 2.02 -0.57 -1.24 112.91 114.44 2paq h THR 166 Ca 0.17 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2paq h THR 166 Cb 0.22 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2paq h THR 166 CO -0.01 0.14 0.21 -0.07 0.37 0.00 0.00 175.52 176.16 2paq h LEU 167 N 0.77 0.61 -0.29 2.58 3.38 -0.88 0.82 115.31 122.29 2paq h LEU 167 Ca 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2paq h LEU 167 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2paq h LEU 167 CO -0.09 0.58 0.19 -0.33 0.09 0.00 0.00 178.44 178.88 2paq h GLU 168 N 0.60 0.38 -0.97 1.13 4.39 -1.37 0.46 114.58 119.20 2paq h GLU 168 Ca 0.16 -0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.98 2paq h GLU 168 Cb 0.14 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.62 2paq h GLU 168 CO -0.02 0.25 0.61 0.00 -1.16 0.00 0.00 179.01 178.69 2paq h ALA 169 N 1.11 1.68 -0.65 3.43 0.00 -0.42 -1.88 119.26 122.53 2paq h ALA 169 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2paq h ALA 169 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2paq h ALA 169 CO -0.03 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2paq n ARG 170 N -4.63 3.67 -1.44 0.00 1.74 0.21 -5.01 116.66 111.21 2paq n ARG 170 Ca 0.19 -2.82 -0.53 0.00 -0.77 0.00 0.00 57.85 53.93 2paq n ARG 170 Cb 0.45 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 2paq n ARG 170 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2paq n ARG 171 N 1.15 0.00 -3.78 5.56 0.63 0.12 -4.89 116.66 115.45 2paq n ARG 171 Ca 0.26 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.09 2paq n ARG 171 Cb 0.87 -1.22 -0.04 0.00 0.45 0.00 0.00 32.46 32.52 2paq n ARG 171 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2paq s SER 172 N -0.53 -0.22 0.29 6.15 1.04 -1.26 -5.04 113.70 114.14 2paq s SER 172 Ca 0.76 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 2paq s SER 172 Cb -1.08 0.56 0.42 0.00 0.10 0.00 0.00 66.02 66.02 2paq s SER 172 CO 0.56 -1.04 1.90 1.56 0.98 0.00 0.00 173.24 177.21 2paq h GLN 173 N 2.24 0.99 -1.37 4.02 4.20 -2.01 -0.87 115.11 122.31 2paq h GLN 173 Ca -0.29 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2paq h GLN 173 Cb 1.26 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2paq h GLN 173 CO 0.39 0.74 0.00 -0.85 -0.67 0.00 0.00 178.83 178.43 2paq n GLU 174 N -4.35 0.62 0.00 1.46 0.00 -1.26 -1.42 120.64 115.69 2paq n GLU 174 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 2paq n GLU 174 Cb 0.11 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 30.36 2paq n GLU 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2paq n ASP 176 N 0.68 0.00 -0.05 -1.84 8.00 -0.33 -1.56 116.55 121.45 2paq n ASP 176 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2paq n ASP 176 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 2paq n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2paq h TYR 177 N 0.00 0.26 0.00 1.24 5.03 -1.50 -1.11 116.97 120.88 2paq h TYR 177 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2paq h TYR 177 Cb 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.20 2paq h TYR 177 CO 0.00 0.27 0.00 0.34 -1.32 0.00 0.00 178.16 177.45 2paq n PHE 178 N -4.89 0.00 0.00 -3.82 -0.00 -0.60 -0.84 117.46 107.31 2paq n PHE 178 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 2paq n PHE 178 Cb 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 39.48 39.54 2paq n PHE 178 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2paq n GLU 180 N 0.62 0.00 -0.05 -4.13 4.07 -0.42 -0.46 120.64 120.26 2paq n GLU 180 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 2paq n GLU 180 Cb 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.25 2paq n GLU 180 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2paq n ILE 181 N 0.00 1.66 -0.03 6.31 2.08 -0.02 -4.69 119.36 124.66 2paq n ILE 181 Ca 0.00 -0.61 0.02 0.00 0.56 0.00 0.00 62.75 62.72 2paq n ILE 181 Cb 0.00 -1.61 -0.11 0.00 -0.75 0.00 0.00 39.64 37.17 2paq n ILE 181 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2paq n PHE 182 N -3.41 0.00 0.09 1.39 3.72 0.39 -4.73 117.46 114.91 2paq n PHE 182 Ca -0.38 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.88 2paq n PHE 182 Cb 1.02 -0.48 -0.14 0.00 -0.94 0.00 0.00 39.48 38.94 2paq n PHE 182 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2paq h VAL 183 N 0.00 1.51 -0.53 -4.37 2.07 -1.84 -3.28 116.25 109.80 2paq h VAL 183 Ca -0.15 -3.12 0.15 0.00 0.82 0.00 0.00 66.70 64.40 2paq h VAL 183 Cb 1.16 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.81 2paq h VAL 183 CO 0.01 0.90 0.39 -0.65 0.02 0.00 0.00 177.57 178.24 2paq h PRO 184 N 0.06 0.00 0.00 1.57 0.11 -1.85 -2.29 132.00 129.60 2paq h PRO 184 Ca -0.12 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 2paq h PRO 184 Cb 1.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.04 2paq h PRO 184 CO 0.18 0.00 -0.07 0.77 -0.21 0.00 0.00 178.00 178.67 2paq h SER 185 N 0.00 0.00 -0.04 -2.05 0.02 -1.89 0.63 113.55 110.23 2paq h SER 185 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2paq h SER 185 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2paq h SER 185 CO -0.00 0.07 0.00 0.49 -1.14 0.00 0.00 176.83 176.25 2paq n PHE 186 N -3.49 0.04 -0.97 3.45 3.01 -0.86 -5.20 117.46 113.43 2paq n PHE 186 Ca -0.02 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2paq n PHE 186 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 2paq n PHE 186 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49