#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 4.49 -0.01 -1.58 -0.21 -1.26 -4.96 119.66 116.13 2paq s GLN 3 Ca 0.00 1.77 0.01 0.00 0.02 0.00 0.00 55.36 57.16 2paq s GLN 3 Cb 0.00 -3.31 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 2paq s GLN 3 CO 0.00 -0.13 0.03 0.45 -2.12 0.00 0.00 175.29 173.52 2paq s SER 4 N 0.54 5.32 0.00 5.90 0.15 -1.26 -5.01 113.70 119.35 2paq s SER 4 Ca 0.55 0.06 0.22 0.00 0.70 0.00 0.00 55.95 57.47 2paq s SER 4 Cb -0.30 -1.45 0.53 0.00 -1.71 0.00 0.00 66.02 63.10 2paq s SER 4 CO 0.32 0.28 1.45 1.41 1.20 0.00 0.00 173.24 177.90 2paq n HIS 5 N 1.37 0.44 0.16 3.44 -0.00 -1.26 -4.68 115.22 114.69 2paq n HIS 5 Ca -0.14 -0.22 -0.14 0.00 -0.00 0.00 0.00 57.72 57.22 2paq n HIS 5 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.45 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 3.58 -0.73 -0.12 4.41 3.57 -1.95 0.19 116.94 125.90 2paq h PHE 6 Ca 0.00 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 2paq h PHE 6 Cb 0.79 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2paq h PHE 6 CO 0.22 -0.39 -0.52 0.74 -2.23 0.00 0.00 178.31 176.13 2paq h PHE 7 N -0.55 0.41 -0.74 0.41 0.04 -2.00 -1.10 116.94 113.42 2paq h PHE 7 Ca 0.00 -0.14 0.07 0.00 2.80 0.00 0.00 57.97 60.70 2paq h PHE 7 Cb 0.52 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.53 2paq h PHE 7 CO -0.20 0.79 0.43 0.00 -0.60 0.00 0.00 178.31 178.73 2paq h ALA 8 N 1.19 1.02 -0.19 2.45 0.00 -1.80 -0.95 119.26 120.98 2paq h ALA 8 Ca 0.01 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2paq h ALA 8 Cb 1.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2paq h ALA 8 CO 0.09 0.11 -0.65 0.45 0.00 0.00 0.00 179.25 179.25 2paq h HIS 9 N 0.78 0.90 -0.93 0.00 3.86 -0.19 -3.19 115.15 116.37 2paq h HIS 9 Ca 0.34 -0.36 0.11 0.00 -1.16 0.00 0.00 60.37 59.30 2paq h HIS 9 Cb 0.22 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.46 2paq h HIS 9 CO -0.06 1.15 0.60 -0.07 0.86 0.00 0.00 177.93 180.41 2paq h LEU 10 N 0.50 0.82 -1.47 2.43 4.07 -0.83 -1.71 115.31 119.13 2paq h LEU 10 Ca -0.02 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2paq h LEU 10 Cb 1.25 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2paq h LEU 10 CO 0.13 0.46 0.46 -1.28 -1.08 0.00 0.00 178.44 177.13 2paq h SER 11 N 0.89 0.00 0.15 -0.43 0.87 -1.16 -1.27 113.55 112.60 2paq h SER 11 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2paq h SER 11 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2paq h SER 11 CO -0.21 0.00 -0.15 0.54 -0.53 0.00 0.00 176.83 176.48 2paq n ARG 12 N -2.70 1.12 0.11 2.24 1.74 -0.64 -3.96 116.66 114.56 2paq n ARG 12 Ca -0.01 -0.63 0.03 0.00 -0.77 0.00 0.00 57.85 56.47 2paq n ARG 12 Cb 0.50 -1.49 0.43 0.00 -1.02 0.00 0.00 32.46 30.87 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 1.53 0.24 -0.97 0.55 3.38 -1.40 -0.42 115.31 118.22 2paq h LEU 13 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2paq h LEU 13 Cb 0.48 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2paq h LEU 13 CO 0.00 0.33 0.00 0.07 0.09 0.00 0.00 178.44 178.93 2paq h LYS 14 N 0.26 0.00 0.00 1.13 2.10 -1.81 -2.39 116.57 115.86 2paq h LYS 14 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2paq h LYS 14 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2paq h LYS 14 CO 0.01 0.00 -0.22 -0.07 -2.00 0.00 0.00 179.45 177.17 2paq h LEU 15 N 0.00 0.00 -9.13 7.07 3.38 -1.34 -3.44 115.31 111.85 2paq h LEU 15 Ca 0.00 -0.05 -0.60 0.00 0.09 0.00 0.00 57.88 57.31 2paq h LEU 15 Cb 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 2paq h LEU 15 CO 0.00 0.03 -0.22 -0.63 0.09 0.00 0.00 178.44 177.71 2paq s ILE 16 N -3.15 5.21 -0.10 1.22 1.09 -0.90 -5.01 121.20 119.56 2paq s ILE 16 Ca 0.08 0.67 -0.09 0.00 -1.10 0.00 0.00 60.65 60.21 2paq s ILE 16 Cb 0.11 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.75 2paq s ILE 16 CO 0.65 0.25 0.21 0.20 -0.10 0.00 0.00 174.94 176.16 2paq s ASN 17 N 1.08 6.48 0.42 3.58 0.01 -1.26 -1.25 114.94 124.00 2paq s ASN 17 Ca 0.18 0.58 0.05 0.00 -0.71 0.00 0.00 52.86 52.96 2paq s ASN 17 Cb -0.15 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.40 2paq s ASN 17 CO 0.08 0.37 0.59 -0.13 -1.51 0.00 0.00 177.10 176.50 2paq s ARG 18 N -0.91 2.88 -1.30 -0.60 0.52 0.47 -4.60 118.95 115.42 2paq s ARG 18 Ca 0.17 -0.99 -0.07 0.00 -0.52 0.00 0.00 55.73 54.32 2paq s ARG 18 Cb -0.13 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 2paq s ARG 18 CO 0.06 -0.26 0.59 0.91 0.02 0.00 0.00 175.30 176.62 2paq n TRP 19 N -1.91 -1.78 0.29 -0.53 7.02 -1.26 -4.62 117.44 114.63 2paq n TRP 19 Ca 0.05 0.67 0.18 0.00 -1.02 0.00 0.00 57.50 57.38 2paq n TRP 19 Cb 0.59 -3.78 0.77 0.00 -2.42 0.00 0.00 31.31 26.47 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 -1.86 0.00 -1.22 -0.99 0.13 -1.96 -3.45 132.00 122.64 2paq h PRO 20 Ca -0.64 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.18 2paq h PRO 20 Cb 1.37 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.34 2paq h PRO 20 CO 0.57 0.01 0.40 1.28 -0.23 0.00 0.00 178.00 180.03 2paq n LEU 21 N -3.11 5.75 -4.73 1.56 4.77 -1.26 -5.10 117.00 114.88 2paq n LEU 21 Ca -0.00 -2.99 -0.35 0.00 -0.03 0.00 0.00 56.01 52.64 2paq n LEU 21 Cb 0.27 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 2paq n LEU 21 CO 0.26 1.01 -0.18 -0.60 -1.33 0.00 0.00 177.39 176.55 2paq s ARG 23 N -1.88 4.17 -0.06 3.23 3.52 -1.26 -5.22 118.95 121.45 2paq s ARG 23 Ca 0.32 -0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.72 2paq s ARG 23 Cb 0.26 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 2paq s ARG 23 CO 0.03 0.30 -0.11 -0.80 -0.81 0.00 0.00 175.30 173.91 2paq s ASN 24 N 0.34 4.30 0.16 -2.12 0.01 -1.26 -4.87 114.94 111.50 2paq s ASN 24 Ca 0.08 -0.13 -0.11 0.00 -0.71 0.00 0.00 52.86 51.99 2paq s ASN 24 Cb -0.11 -1.03 0.02 0.00 0.41 0.00 0.00 41.25 40.54 2paq s ASN 24 CO -0.02 0.34 1.58 0.58 -1.51 0.00 0.00 177.10 178.08 2paq h VAL 25 N 4.36 1.27 -3.60 1.60 2.07 -1.98 -3.42 116.25 116.55 2paq h VAL 25 Ca -0.46 -1.20 -0.38 0.00 0.82 0.00 0.00 66.70 65.47 2paq h VAL 25 Cb 1.16 1.02 -0.32 0.00 -1.52 0.00 0.00 31.29 31.63 2paq h VAL 25 CO 0.52 0.42 -0.77 -0.60 0.02 0.00 0.00 177.57 177.16 2paq s ARG 26 N -4.88 0.66 0.08 1.57 3.52 -1.26 -5.13 118.95 113.51 2paq s ARG 26 Ca -0.12 -0.11 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 2paq s ARG 26 Cb 0.12 -0.69 -0.06 0.00 -1.56 0.00 0.00 34.95 32.77 2paq s ARG 26 CO 0.84 -0.02 0.83 0.95 -0.81 0.00 0.00 175.30 177.09 2paq s THR 27 N 0.62 4.62 -0.17 4.11 -4.23 -1.26 -5.04 115.64 114.28 2paq s THR 27 Ca -0.08 1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 62.15 2paq s THR 27 Cb -0.11 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.52 2paq s THR 27 CO -0.00 0.37 0.01 -0.70 -0.54 0.00 0.00 174.62 173.76 2paq s GLU 28 N -0.16 3.80 0.38 3.99 2.12 -1.26 -5.03 118.70 122.54 2paq s GLU 28 Ca 0.41 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.35 2paq s GLU 28 Cb -0.22 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 2paq s GLU 28 CO 0.25 0.24 0.54 0.54 -0.54 0.00 0.00 175.26 176.29 2paq s ASN 29 N 0.42 5.86 0.42 -1.70 2.20 -1.26 -0.39 114.94 120.48 2paq s ASN 29 Ca -0.01 -0.13 0.12 0.00 -0.94 0.00 0.00 52.86 51.91 2paq s ASN 29 Cb -0.13 -1.18 0.89 0.00 -2.00 0.00 0.00 41.25 38.83 2paq s ASN 29 CO 0.02 -0.57 1.95 0.58 -2.94 0.00 0.00 177.10 176.14 2paq h VAL 30 N 0.72 1.16 0.29 3.54 2.07 -1.22 -1.31 116.25 121.49 2paq h VAL 30 Ca -0.45 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2paq h VAL 30 Cb 1.26 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2paq h VAL 30 CO 0.52 0.22 -0.14 -1.28 0.02 0.00 0.00 177.57 176.91 2paq h SER 31 N 0.10 -0.33 -0.46 0.57 0.87 -1.84 0.27 113.55 112.73 2paq h SER 31 Ca 0.02 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2paq h SER 31 Cb 0.36 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 2paq h SER 31 CO 0.02 -0.07 0.10 -0.33 -0.53 0.00 0.00 176.83 176.02 2paq h GLU 32 N -0.58 0.23 -0.09 2.24 5.08 -1.89 -2.25 114.58 117.32 2paq h GLU 32 Ca -0.04 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2paq h GLU 32 Cb 0.42 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2paq h GLU 32 CO 0.07 0.15 -0.14 1.25 -1.00 0.00 0.00 179.01 179.34 2paq h HIS 33 N 0.24 -0.35 -0.95 4.33 2.76 -1.22 -2.73 115.15 117.23 2paq h HIS 33 Ca 0.22 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 2paq h HIS 33 Cb 0.28 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 2paq h HIS 33 CO -0.21 -0.20 0.63 0.77 -1.30 0.00 0.00 177.93 177.61 2paq h SER 34 N -0.19 1.08 -0.62 3.26 0.02 -0.77 0.28 113.55 116.61 2paq h SER 34 Ca 0.08 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2paq h SER 34 Cb 0.30 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2paq h SER 34 CO -0.20 0.77 0.13 0.25 -1.14 0.00 0.00 176.83 176.64 2paq h LEU 35 N 1.27 0.97 -0.35 5.07 5.85 -1.35 -0.72 115.31 126.04 2paq h LEU 35 Ca 0.35 -0.25 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 2paq h LEU 35 Cb -0.12 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.65 2paq h LEU 35 CO -0.08 0.96 -0.66 -0.61 -0.34 0.00 0.00 178.44 177.72 2paq h GLN 36 N 0.93 0.64 -0.22 1.25 4.15 -0.96 -3.03 115.11 117.87 2paq h GLN 36 Ca 0.19 -0.46 0.01 0.00 0.77 0.00 0.00 58.65 59.16 2paq h GLN 36 Cb 0.39 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2paq h GLN 36 CO 0.01 1.08 0.13 0.28 -1.93 0.00 0.00 178.83 178.40 2paq h VAL 37 N 0.47 1.02 0.00 2.39 2.07 -0.32 0.00 116.25 121.88 2paq h VAL 37 Ca -0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2paq h VAL 37 Cb 1.24 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2paq h VAL 37 CO 0.13 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.77 2paq n ALA 38 N -2.18 0.90 0.00 1.67 0.00 -0.29 0.26 120.51 120.87 2paq n ALA 38 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2paq n ALA 38 Cb 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.51 0.00 -0.02 0.00 0.31 -0.01 -1.31 118.33 117.80 2paq n VAL 40 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 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 0.17 -0.65 3.52 0.00 -0.43 0.52 119.26 122.39 2paq h ALA 41 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2paq h ALA 41 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2paq h ALA 41 CO 0.00 -0.39 0.32 1.25 0.00 0.00 0.00 179.25 180.43 2paq h HIS 42 N 0.12 0.58 -0.49 0.00 -0.00 -1.43 0.16 115.15 114.09 2paq h HIS 42 Ca 0.07 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.34 2paq h HIS 42 Cb 0.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2paq h HIS 42 CO -0.11 0.23 -0.17 0.00 -0.00 0.00 0.00 177.93 177.87 2paq h ALA 43 N 1.39 0.75 -0.28 5.26 0.00 -1.72 -0.52 119.26 124.15 2paq h ALA 43 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2paq h ALA 43 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2paq h ALA 43 CO -0.24 0.67 -0.19 -0.07 0.00 0.00 0.00 179.25 179.41 2paq h LEU 44 N 0.85 0.50 -0.23 0.00 3.38 -0.54 -0.66 115.31 118.61 2paq h LEU 44 Ca 0.12 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2paq h LEU 44 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2paq h LEU 44 CO 0.06 0.70 -0.09 0.00 0.09 0.00 0.00 178.44 179.21 2paq h ALA 45 N 1.34 0.32 -0.48 1.53 0.00 -0.73 -2.67 119.26 118.58 2paq h ALA 45 Ca 0.07 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2paq h ALA 45 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2paq h ALA 45 CO 0.04 0.15 -0.18 0.00 0.00 0.00 0.00 179.25 179.26 2paq h ALA 46 N 0.73 0.77 -0.86 0.00 0.00 -0.97 -1.66 119.26 117.28 2paq h ALA 46 Ca 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2paq h ALA 46 Cb 0.57 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2paq h ALA 46 CO 0.03 0.66 0.56 0.82 0.00 0.00 0.00 179.25 181.32 2paq h ILE 47 N 0.83 1.16 -0.16 0.00 2.04 -1.19 0.19 117.51 120.38 2paq h ILE 47 Ca 0.12 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2paq h ILE 47 Cb 0.74 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2paq h ILE 47 CO 0.06 0.20 0.03 0.50 0.00 0.00 0.00 178.15 178.94 2paq h LYS 48 N 1.10 0.27 -0.08 2.37 3.64 -1.11 0.18 116.57 122.93 2paq h LYS 48 Ca 0.33 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2paq h LYS 48 Cb -0.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2paq h LYS 48 CO -0.10 0.43 0.02 -0.91 -2.27 0.00 0.00 179.45 176.62 2paq h ASN 49 N 0.05 0.02 -0.14 4.20 2.35 -1.23 0.10 115.58 120.93 2paq h ASN 49 Ca 0.05 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 2paq h ASN 49 Cb 0.30 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.68 2paq h ASN 49 CO 0.00 0.02 -0.63 -0.09 -1.65 0.00 0.00 177.43 175.09 2paq h ARG 50 N 0.06 0.67 0.00 0.81 9.65 -0.41 -3.34 114.38 121.83 2paq h ARG 50 Ca 0.03 -0.54 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 2paq h ARG 50 Cb 0.02 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2paq h ARG 50 CO -0.04 1.15 -1.25 1.63 2.80 0.00 0.00 179.97 184.27 2paq n LYS 51 N -4.09 0.68 -0.76 0.20 5.02 0.62 -4.79 118.16 115.05 2paq n LYS 51 Ca -0.07 -0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2paq n LYS 51 Cb 0.67 -1.12 0.17 0.00 -0.02 0.00 0.00 35.03 34.73 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 -1.76 0.00 -1.45 2.13 3.72 0.15 -4.97 117.46 115.28 2paq n PHE 52 Ca -0.02 -1.30 -0.06 0.00 -0.05 0.00 0.00 57.45 56.02 2paq n PHE 52 Cb 0.22 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.82 0.61 3.77 1.37 0.00 -0.92 -4.88 105.19 104.32 2paq n GLY 53 Ca 0.16 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.88 2.32 -0.36 -0.02 0.00 0.00 -4.93 107.32 101.46 2paq s GLY 54 Ca 0.00 0.66 0.14 0.00 0.00 0.00 0.00 44.72 45.52 2paq s GLY 54 CO 0.00 1.02 1.00 -2.01 0.00 0.00 0.00 173.10 173.11 2paq n ASN 55 N -2.08 2.45 -4.91 1.64 5.15 -1.26 -4.52 115.26 111.73 2paq n ASN 55 Ca 0.11 -3.02 -0.28 0.00 -0.60 0.00 0.00 54.58 50.79 2paq n ASN 55 Cb 0.51 -0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 2paq n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2paq s VAL 56 N -3.86 5.19 -0.66 3.44 -7.23 -1.26 -5.05 120.40 110.97 2paq s VAL 56 Ca 0.34 -0.65 -0.22 0.00 -1.81 0.00 0.00 61.98 59.64 2paq s VAL 56 Cb 0.44 -3.61 0.08 0.00 0.56 0.00 0.00 36.38 33.85 2paq s VAL 56 CO -0.03 -0.01 0.93 0.21 -0.31 0.00 0.00 175.10 175.89 2paq s ASN 57 N -2.93 6.19 0.39 4.85 3.84 -1.26 -4.88 114.94 121.14 2paq s ASN 57 Ca 0.34 -1.10 0.18 0.00 0.21 0.00 0.00 52.86 52.49 2paq s ASN 57 Cb -0.12 -2.40 0.80 0.00 -0.55 0.00 0.00 41.25 38.98 2paq s ASN 57 CO 0.27 -1.38 1.81 0.00 -2.79 0.00 0.00 177.10 175.01 2paq h ALA 58 N 9.48 1.14 -0.16 1.71 0.00 -1.92 -1.59 119.26 127.92 2paq h ALA 58 Ca -0.27 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 2paq h ALA 58 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2paq h ALA 58 CO 1.17 0.44 -0.49 0.93 0.00 0.00 0.00 179.25 181.29 2paq h GLU 59 N 0.00 0.62 -0.56 0.00 3.07 -1.93 -1.73 114.58 114.05 2paq h GLU 59 Ca -0.00 -0.45 0.08 0.00 -0.50 0.00 0.00 59.36 58.49 2paq h GLU 59 Cb 0.75 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.68 2paq h GLU 59 CO 0.05 1.07 0.22 -0.09 -1.40 0.00 0.00 179.01 178.85 2paq h ARG 60 N 0.29 0.39 -0.74 2.33 9.65 -1.84 -2.34 114.38 122.11 2paq h ARG 60 Ca -0.01 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2paq h ARG 60 Cb 1.11 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.57 2paq h ARG 60 CO 0.11 0.26 0.41 0.82 2.80 0.00 0.00 179.97 184.36 2paq h ILE 61 N 0.41 1.23 -0.20 1.20 1.08 -1.05 -1.94 117.51 118.24 2paq h ILE 61 Ca 0.28 -0.56 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 2paq h ILE 61 Cb 0.31 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 2paq h ILE 61 CO -0.27 0.25 0.07 0.00 -0.69 0.00 0.00 178.15 177.51 2paq h ALA 62 N 1.21 0.22 -0.45 1.87 0.00 -0.84 -1.40 119.26 119.87 2paq h ALA 62 Ca 0.26 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2paq h ALA 62 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2paq h ALA 62 CO -0.04 -0.35 0.14 1.25 0.00 0.00 0.00 179.25 180.25 2paq h LEU 63 N 0.17 0.13 -0.14 0.00 5.85 -0.88 -2.70 115.31 117.75 2paq h LEU 63 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2paq h LEU 63 Cb 0.05 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2paq h LEU 63 CO -0.08 0.11 0.09 -0.07 -0.34 0.00 0.00 178.44 178.14 2paq h LEU 64 N 0.31 0.16 -2.60 2.25 3.38 -1.29 -2.38 115.31 115.13 2paq h LEU 64 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2paq h LEU 64 Cb 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2paq h LEU 64 CO -0.23 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.42 2paq n ALA 65 N -2.13 1.16 0.00 1.53 0.00 -0.53 -1.09 120.51 119.44 2paq n ALA 65 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2paq n ALA 65 Cb 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.05 0.00 -0.13 0.00 4.01 -0.90 -4.58 117.16 116.61 2paq n TYR 67 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2paq n TYR 67 Cb 0.00 0.00 0.43 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.59 -0.41 -0.72 2.76 -1.35 -2.60 115.15 113.42 2paq h HIS 68 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2paq h HIS 68 Cb 0.00 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.77 2paq h HIS 68 CO 0.00 0.29 0.00 -0.25 -1.30 0.00 0.00 177.93 176.67 2paq n ASP 69 N -4.48 3.49 -0.20 3.26 8.00 -1.26 -4.77 116.55 120.59 2paq n ASP 69 Ca 0.11 -2.27 0.06 0.00 0.71 0.00 0.00 54.79 53.40 2paq n ASP 69 Cb 0.32 -0.37 0.34 0.00 -0.02 0.00 0.00 41.12 41.39 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 2.50 1.69 0.00 2.24 0.00 -1.83 -1.67 119.26 122.19 2paq h ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2paq h ALA 70 Cb 1.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2paq h ALA 70 CO 0.08 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 2paq n SER 71 N -4.48 0.00 0.10 0.00 3.41 -1.26 -2.37 113.62 109.02 2paq n SER 71 Ca 0.11 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 2paq n SER 71 Cb 0.24 -0.45 0.45 0.00 -0.26 0.00 0.00 64.21 64.18 2paq n SER 71 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2paq n GLU 72 N -1.45 0.14 0.28 4.33 1.02 -0.63 -1.67 120.64 122.66 2paq n GLU 72 Ca 0.05 0.42 0.17 0.00 -0.02 0.00 0.00 57.16 57.78 2paq n GLU 72 Cb 0.18 -1.80 0.78 0.00 -0.02 0.00 0.00 31.44 30.59 2paq n GLU 72 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2paq h VAL 73 N 0.00 0.16 0.00 2.62 -1.51 -1.69 0.20 116.25 116.03 2paq h VAL 73 Ca 0.00 -0.47 -0.27 0.00 -1.23 0.00 0.00 66.70 64.72 2paq h VAL 73 Cb 0.28 1.40 -0.05 0.00 -2.13 0.00 0.00 31.29 30.80 2paq h VAL 73 CO 0.00 0.04 -1.87 0.18 -1.23 0.00 0.00 177.57 174.70 2paq n LEU 74 N -3.21 0.56 -0.03 4.19 4.77 -0.67 -4.66 117.00 117.93 2paq n LEU 74 Ca -0.01 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.25 2paq n LEU 74 Cb 0.26 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 2paq n LEU 74 CO 0.27 0.35 -0.80 0.35 -1.33 0.00 0.00 177.39 176.22 2paq n THR 75 N -2.88 0.42 -2.70 -5.08 -2.24 -1.16 -5.12 114.28 95.52 2paq n THR 75 Ca -0.19 -0.46 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 2paq n THR 75 Cb 1.01 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.86 -1.90 3.62 3.38 0.00 0.69 -4.86 105.19 107.97 2paq n GLY 76 Ca -0.12 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.88 6.16 -0.40 1.61 2.15 -1.26 -4.71 116.67 116.34 2paq s ASP 77 Ca 0.00 0.16 -0.09 0.00 0.43 0.00 0.00 52.55 53.05 2paq s ASP 77 Cb 0.00 -2.16 0.06 0.00 -0.30 0.00 0.00 42.92 40.53 2paq s ASP 77 CO 0.00 -0.07 0.23 -0.22 -0.17 0.00 0.00 175.17 174.94 2paq s LEU 78 N 1.65 4.95 0.76 -1.34 0.20 -1.26 -5.03 118.68 118.60 2paq s LEU 78 Ca 0.11 -1.33 -0.16 0.00 0.69 0.00 0.00 54.13 53.44 2paq s LEU 78 Cb -0.15 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 2paq s LEU 78 CO 0.09 -0.48 0.48 -2.65 -0.29 0.00 0.00 176.35 173.51 2paq n PRO 79 N 4.93 0.21 -1.84 0.98 -0.02 -1.26 -4.82 135.00 133.18 2paq n PRO 79 Ca -0.11 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2paq n PRO 79 Cb 0.44 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2paq n PRO 79 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2paq s THR 80 N -1.98 3.30 0.00 3.45 -4.23 -1.26 -5.20 115.64 109.71 2paq s THR 80 Ca 0.64 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2paq s THR 80 Cb -0.33 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2paq s THR 80 CO 0.60 -0.07 0.00 -2.65 -0.54 0.00 0.00 174.62 171.96 2paq n PRO 81 N 7.64 2.58 0.00 3.99 -0.02 -1.26 -5.26 135.00 142.66 2paq n PRO 81 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2paq n PRO 81 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 2paq n PRO 81 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2paq n GLN 91 N 0.00 0.00 0.03 -0.52 1.13 -1.26 -5.30 117.38 111.46 2paq n GLN 91 Ca 0.00 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 2paq n GLN 91 Cb 0.00 -0.04 0.14 0.00 0.11 0.00 0.00 30.24 30.46 2paq n GLN 91 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2paq n GLU 92 N 0.00 0.02 0.29 -1.09 4.07 -1.26 -2.48 120.64 120.20 2paq n GLU 92 Ca 0.00 0.48 0.17 0.00 -0.06 0.00 0.00 57.16 57.75 2paq n GLU 92 Cb 0.21 -1.57 0.89 0.00 -0.06 0.00 0.00 31.44 30.91 2paq n GLU 92 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 2paq h TYR 93 N 0.00 0.00 -0.39 4.31 3.20 -2.06 -2.36 116.97 119.68 2paq h TYR 93 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2paq h TYR 93 Cb 0.05 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2paq h TYR 93 CO 0.00 0.05 0.10 0.87 -1.64 0.00 0.00 178.16 177.53 2paq h LYS 94 N 0.00 0.61 -0.60 1.82 6.56 -1.92 -2.04 116.57 121.01 2paq h LYS 94 Ca -0.00 -0.14 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 2paq h LYS 94 Cb 0.25 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.80 2paq h LYS 94 CO 0.01 0.64 0.29 0.00 -2.06 0.00 0.00 179.45 178.33 2paq h ALA 95 N 0.95 1.39 -0.26 3.86 0.00 -1.64 -0.23 119.26 123.33 2paq h ALA 95 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2paq h ALA 95 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2paq h ALA 95 CO 0.00 0.48 -0.30 0.82 0.00 0.00 0.00 179.25 180.25 2paq h ILE 96 N 0.84 1.28 -0.35 0.00 2.04 -1.44 -0.49 117.51 119.39 2paq h ILE 96 Ca 0.21 -1.38 -0.14 0.00 1.00 0.00 0.00 64.86 64.54 2paq h ILE 96 Cb 0.08 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2paq h ILE 96 CO -0.03 0.44 -0.35 -0.08 0.00 0.00 0.00 178.15 178.13 2paq h GLU 97 N 0.46 0.80 -0.83 2.37 4.81 -1.17 -1.89 114.58 119.13 2paq h GLU 97 Ca 0.06 -0.39 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2paq h GLU 97 Cb 0.76 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 2paq h GLU 97 CO 0.06 1.02 0.54 -0.22 -0.73 0.00 0.00 179.01 179.69 2paq h LYS 98 N 0.66 1.01 -0.23 1.92 3.64 -0.51 -1.50 116.57 121.56 2paq h LYS 98 Ca 0.06 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2paq h LYS 98 Cb 0.91 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2paq h LYS 98 CO 0.08 0.67 -0.60 0.82 -2.27 0.00 0.00 179.45 178.15 2paq h ILE 99 N 1.04 1.29 -0.43 2.00 1.08 -0.78 -2.88 117.51 118.82 2paq h ILE 99 Ca 0.33 -1.81 -0.10 0.00 -0.39 0.00 0.00 64.86 62.89 2paq h ILE 99 Cb 0.01 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 2paq h ILE 99 CO -0.09 0.58 -0.11 0.00 -0.69 0.00 0.00 178.15 177.84 2paq h ALA 100 N 0.74 0.59 0.02 1.87 0.00 -0.88 -1.48 119.26 120.11 2paq h ALA 100 Ca -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2paq h ALA 100 Cb 1.20 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2paq h ALA 100 CO 0.13 0.48 -0.35 1.96 0.00 0.00 0.00 179.25 181.47 2paq h GLN 101 N 0.66 -0.49 -0.64 0.00 4.20 -1.34 -0.65 115.11 116.84 2paq h GLN 101 Ca 0.11 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2paq h GLN 101 Cb 0.64 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 2paq h GLN 101 CO 0.04 -0.33 0.30 0.37 -0.67 0.00 0.00 178.83 178.54 2paq h GLN 102 N -0.51 0.94 -0.84 1.46 5.75 -1.39 0.22 115.11 120.73 2paq h GLN 102 Ca 0.05 -0.15 0.19 0.00 -0.15 0.00 0.00 58.65 58.60 2paq h GLN 102 Cb 0.59 -0.16 -0.12 0.00 1.07 0.00 0.00 27.48 28.86 2paq h GLN 102 CO -0.27 0.76 0.33 0.87 -2.65 0.00 0.00 178.83 177.87 2paq h LYS 103 N 0.89 0.37 -0.07 1.69 1.57 -1.03 0.34 116.57 120.34 2paq h LYS 103 Ca 0.22 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2paq h LYS 103 Cb 0.14 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2paq h LYS 103 CO -0.03 0.25 -0.07 1.25 -0.57 0.00 0.00 179.45 180.28 2paq h LEU 104 N 0.38 0.18 -0.60 2.94 5.85 0.48 -3.04 115.31 121.51 2paq h LEU 104 Ca 0.51 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2paq h LEU 104 Cb 0.91 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 2paq h LEU 104 CO -0.51 0.64 0.13 0.58 -0.34 0.00 0.00 178.44 178.93 2paq h VAL 105 N -0.27 0.64 0.00 1.05 2.07 -0.17 -3.27 116.25 116.30 2paq h VAL 105 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2paq h VAL 105 Cb 0.59 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2paq h VAL 105 CO 0.02 0.05 0.11 0.47 0.02 0.00 0.00 177.57 178.23 2paq n ASP 106 N -5.13 0.00 -1.21 0.57 8.00 0.12 -4.87 116.55 114.02 2paq n ASP 106 Ca 0.09 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.56 2paq n ASP 106 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 2.15 -0.88 -1.73 2.53 0.31 -1.24 -4.98 118.33 114.50 2paq n VAL 108 Ca 0.00 0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 64.31 2paq n VAL 108 Cb 0.00 -0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 32.37 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 -0.65 2.45 -0.33 5.55 -0.02 -1.26 -4.74 135.00 136.00 2paq n PRO 109 Ca 0.00 0.86 0.18 0.00 -2.02 0.00 0.00 63.50 62.52 2paq n PRO 109 Cb 0.00 -2.56 0.35 0.00 -0.02 0.00 0.00 33.50 31.27 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 3.55 0.05 0.00 -0.52 4.81 -1.95 0.59 114.58 121.11 2paq h GLU 110 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2paq h GLU 110 Cb 1.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2paq h GLU 110 CO 0.70 0.03 0.00 1.49 -0.73 0.00 0.00 179.01 180.50 2paq h GLU 111 N 0.05 0.00 -0.02 1.92 4.81 -2.04 -2.72 114.58 116.58 2paq h GLU 111 Ca 0.64 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 2paq h GLU 111 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 2paq h GLU 111 CO -0.83 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 178.73 2paq n LEU 112 N -3.05 1.89 0.04 1.64 4.77 0.16 -4.81 117.00 117.64 2paq n LEU 112 Ca -0.02 -1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 54.87 2paq n LEU 112 Cb 0.15 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 2paq n LEU 112 CO 0.22 0.37 0.59 -0.09 -1.33 0.00 0.00 177.39 177.15 2paq h ARG 113 N 2.01 0.40 0.00 3.23 2.43 -1.12 0.25 114.38 121.57 2paq h ARG 113 Ca 0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2paq h ARG 113 Cb 0.44 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2paq h ARG 113 CO 0.00 0.77 -0.00 0.38 -1.51 0.00 0.00 179.97 179.61 2paq h ASP 114 N 0.32 0.00 0.06 -3.80 2.03 -1.87 0.42 116.42 113.58 2paq h ASP 114 Ca 0.02 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.19 2paq h ASP 114 Cb 0.91 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.43 2paq h ASP 114 CO 0.08 0.00 -0.54 0.40 -1.03 0.00 0.00 179.24 178.14 2paq h ILE 115 N 0.00 1.53 0.00 4.15 1.08 -1.31 -3.39 117.51 119.58 2paq h ILE 115 Ca -0.00 -2.27 -0.24 0.00 -0.39 0.00 0.00 64.86 61.96 2paq h ILE 115 Cb 0.23 2.97 -0.04 0.00 -3.07 0.00 0.00 36.82 36.91 2paq h ILE 115 CO 0.00 0.64 -1.34 -0.26 -0.69 0.00 0.00 178.15 176.49 2paq h PHE 116 N -0.40 0.00 -0.14 1.37 -1.00 -1.30 -3.38 116.94 112.09 2paq h PHE 116 Ca -0.08 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.73 2paq h PHE 116 Cb 1.35 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.87 2paq h PHE 116 CO 0.19 0.94 -0.09 0.00 -1.61 0.00 0.00 178.31 177.75 2paq h ALA 117 N 1.06 0.03 0.00 2.45 0.00 -0.36 -2.12 119.26 120.32 2paq h ALA 117 Ca -0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2paq h ALA 117 Cb 1.85 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 2paq h ALA 117 CO 0.10 -0.53 -0.11 -1.35 0.00 0.00 0.00 179.25 177.36 2paq h PRO 118 N -0.08 0.00 -0.05 0.00 0.11 -1.78 -1.74 132.00 128.46 2paq h PRO 118 Ca 0.08 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 2paq h PRO 118 Cb 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2paq h PRO 118 CO -0.19 0.11 -0.68 -0.07 -0.21 0.00 0.00 178.00 176.95 2paq h LEU 119 N 0.00 0.30 0.15 2.35 3.38 -1.58 -3.37 115.31 116.54 2paq h LEU 119 Ca -0.00 -0.19 -0.35 0.00 0.09 0.00 0.00 57.88 57.43 2paq h LEU 119 Cb 0.40 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2paq h LEU 119 CO 0.01 0.89 -1.82 0.40 0.09 0.00 0.00 178.44 178.02 2paq h ILE 120 N 0.18 0.84 -3.07 1.22 1.08 -0.89 -3.42 117.51 113.45 2paq h ILE 120 Ca -0.02 -2.49 -0.60 0.00 -0.39 0.00 0.00 64.86 61.36 2paq h ILE 120 Cb 1.23 2.65 -0.05 0.00 -3.07 0.00 0.00 36.82 37.59 2paq h ILE 120 CO 0.11 0.85 -0.28 -0.62 -0.69 0.00 0.00 178.15 177.52 2paq s ASP 121 N -7.11 6.59 -1.39 1.72 2.15 -0.78 -4.92 116.67 112.93 2paq s ASP 121 Ca -0.17 0.72 -0.15 0.00 0.43 0.00 0.00 52.55 53.38 2paq s ASP 121 Cb 0.06 -2.15 0.03 0.00 -0.30 0.00 0.00 42.92 40.56 2paq s ASP 121 CO 0.82 0.18 2.13 -0.62 -0.17 0.00 0.00 175.17 177.51 2paq n GLU 122 N 0.88 2.82 0.02 4.34 4.71 -1.26 -4.25 120.64 127.89 2paq n GLU 122 Ca -0.08 -2.67 0.00 0.00 -0.01 0.00 0.00 57.16 54.40 2paq n GLU 122 Cb 0.52 -3.31 0.00 0.00 -1.01 0.00 0.00 31.44 27.65 2paq n GLU 122 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2paq n HIS 123 N 6.63 -0.33 -0.27 -0.32 -0.00 -1.26 -4.67 115.22 115.00 2paq n HIS 123 Ca 0.51 0.06 0.08 0.00 -0.00 0.00 0.00 57.72 58.37 2paq n HIS 123 Cb 0.40 0.38 0.20 0.00 -0.00 0.00 0.00 29.99 30.97 2paq n HIS 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2paq h ALA 124 N 0.00 0.97 -1.38 1.57 0.00 -1.74 -3.45 119.26 115.22 2paq h ALA 124 Ca 0.00 0.23 -0.73 0.00 0.00 0.00 0.00 54.91 54.40 2paq h ALA 124 Cb 0.22 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2paq h ALA 124 CO 0.00 -0.42 1.01 0.66 0.00 0.00 0.00 179.25 180.49 2paq n TYR 125 N -5.28 1.94 -1.52 0.00 4.02 -1.26 -4.94 117.16 110.12 2paq n TYR 125 Ca 0.16 0.51 -0.34 0.00 -0.01 0.00 0.00 57.90 58.23 2paq n TYR 125 Cb 0.54 -2.46 0.08 0.00 -0.02 0.00 0.00 39.34 37.48 2paq n TYR 125 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2paq s SER 126 N 4.28 4.48 0.24 7.72 1.04 -1.26 -4.79 113.70 125.42 2paq s SER 126 Ca 1.02 2.22 -0.05 0.00 0.48 0.00 0.00 55.95 59.62 2paq s SER 126 Cb -1.07 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 62.89 2paq s SER 126 CO 0.64 -2.06 1.77 0.44 0.98 0.00 0.00 173.24 175.01 2paq h ASP 127 N -0.24 0.49 -0.79 7.02 5.19 -1.99 -0.51 116.42 125.59 2paq h ASP 127 Ca -0.47 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2paq h ASP 127 Cb 1.28 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.74 2paq h ASP 127 CO 0.51 0.25 0.50 -0.33 -3.12 0.00 0.00 179.24 177.05 2paq h GLU 128 N 0.62 1.06 -0.29 3.56 5.08 -1.99 -0.58 114.58 122.04 2paq h GLU 128 Ca 0.40 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2paq h GLU 128 Cb 0.47 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2paq h GLU 128 CO -0.31 0.72 -0.12 0.93 -1.00 0.00 0.00 179.01 179.24 2paq h GLU 129 N 1.08 0.59 -0.49 2.33 5.08 -1.60 -1.51 114.58 120.06 2paq h GLU 129 Ca 0.29 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2paq h GLU 129 Cb -0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2paq h GLU 129 CO -0.06 0.82 0.00 0.87 -1.00 0.00 0.00 179.01 179.64 2paq h LYS 130 N 0.34 0.82 -0.35 2.33 1.57 -0.85 -2.88 116.57 117.54 2paq h LYS 130 Ca 0.07 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2paq h LYS 130 Cb 0.63 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2paq h LYS 130 CO 0.04 0.82 0.15 1.03 -0.57 0.00 0.00 179.45 180.92 2paq h SER 131 N 0.76 0.47 -0.60 0.86 0.87 -1.00 -2.38 113.55 112.53 2paq h SER 131 Ca 0.15 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2paq h SER 131 Cb 0.46 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2paq h SER 131 CO 0.02 0.49 0.40 -0.07 -0.53 0.00 0.00 176.83 177.14 2paq h LEU 132 N 0.41 0.68 -0.25 2.23 3.38 -1.24 -0.14 115.31 120.38 2paq h LEU 132 Ca 0.12 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2paq h LEU 132 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2paq h LEU 132 CO -0.01 0.49 -0.65 0.58 0.09 0.00 0.00 178.44 178.94 2paq h VAL 133 N 0.81 1.28 -0.43 1.22 2.07 -1.34 -1.85 116.25 118.00 2paq h VAL 133 Ca 0.22 -1.84 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 2paq h VAL 133 Cb -0.07 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2paq h VAL 133 CO -0.05 0.59 -0.06 0.11 0.02 0.00 0.00 177.57 178.18 2paq h LYS 134 N 0.60 0.73 -0.04 1.57 1.57 -1.24 0.10 116.57 119.86 2paq h LYS 134 Ca -0.02 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2paq h LYS 134 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2paq h LYS 134 CO 0.14 0.78 -0.01 1.96 -0.57 0.00 0.00 179.45 181.75 2paq h GLN 135 N 0.67 -0.00 -0.44 3.15 4.20 -0.92 -1.63 115.11 120.15 2paq h GLN 135 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2paq h GLN 135 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2paq h GLN 135 CO 0.03 -0.00 0.25 0.00 -0.67 0.00 0.00 178.83 178.44 2paq h ALA 136 N 1.04 0.56 -0.60 3.87 0.00 -0.98 0.01 119.26 123.16 2paq h ALA 136 Ca 0.02 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2paq h ALA 136 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2paq h ALA 136 CO -0.05 0.07 0.34 0.22 0.00 0.00 0.00 179.25 179.83 2paq h ASP 137 N 0.57 0.54 -0.53 0.00 3.58 -0.74 -0.08 116.42 119.75 2paq h ASP 137 Ca 0.15 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 2paq h ASP 137 Cb 0.03 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2paq h ASP 137 CO -0.03 0.36 0.13 0.00 -2.88 0.00 0.00 179.24 176.83 2paq h ALA 138 N 1.29 0.70 -0.71 -0.78 0.00 -1.02 -1.06 119.26 117.68 2paq h ALA 138 Ca 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2paq h ALA 138 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2paq h ALA 138 CO -0.14 0.40 0.46 -0.07 0.00 0.00 0.00 179.25 179.91 2paq h LEU 139 N 0.75 0.79 -0.58 0.00 3.38 -0.55 -1.64 115.31 117.46 2paq h LEU 139 Ca 0.17 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2paq h LEU 139 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2paq h LEU 139 CO 0.00 0.56 -0.60 0.00 0.09 0.00 0.00 178.44 178.49 2paq h ALA 141 N 1.08 0.43 -0.13 0.00 0.00 -1.13 -1.81 119.26 117.71 2paq h ALA 141 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2paq h ALA 141 Cb 1.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2paq h ALA 141 CO 0.10 -0.04 0.08 -0.92 0.00 0.00 0.00 179.25 178.47 2paq h TYR 142 N 0.42 0.17 -0.93 0.00 3.20 -0.89 -2.45 116.97 116.49 2paq h TYR 142 Ca 0.12 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2paq h TYR 142 Cb 0.06 -0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.18 2paq h TYR 142 CO -0.03 0.15 0.52 -0.07 -1.64 0.00 0.00 178.16 177.10 2paq h LEU 143 N 0.13 0.67 -0.41 2.82 3.38 -0.55 -1.41 115.31 119.95 2paq h LEU 143 Ca 0.05 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2paq h LEU 143 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2paq h LEU 143 CO -0.01 0.27 0.08 0.50 0.09 0.00 0.00 178.44 179.37 2paq h LYS 144 N 0.72 0.66 -0.55 1.13 1.63 -1.18 -0.98 116.57 118.00 2paq h LYS 144 Ca 0.51 -0.17 0.08 0.00 -0.85 0.00 0.00 60.65 60.22 2paq h LYS 144 Cb 0.73 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.22 2paq h LYS 144 CO -0.36 0.70 0.20 0.00 -3.45 0.00 0.00 179.45 176.54 2paq h LEU 146 N 0.38 0.82 -0.41 0.00 3.38 -0.76 -1.46 115.31 117.26 2paq h LEU 146 Ca 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2paq h LEU 146 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2paq h LEU 146 CO -0.27 0.58 0.18 -0.33 0.09 0.00 0.00 178.44 178.68 2paq h GLU 147 N 0.97 0.61 -0.46 1.13 5.08 -0.57 -1.59 114.58 119.75 2paq h GLU 147 Ca 0.29 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2paq h GLU 147 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2paq h GLU 147 CO -0.09 0.56 -0.11 0.93 -1.00 0.00 0.00 179.01 179.30 2paq h GLU 148 N 0.53 0.89 -0.78 2.33 4.39 -1.07 -2.29 114.58 118.58 2paq h GLU 148 Ca 0.14 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2paq h GLU 148 Cb 0.17 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2paq h GLU 148 CO -0.01 0.99 0.45 -0.07 -1.16 0.00 0.00 179.01 179.20 2paq h LEU 149 N 0.73 0.95 -0.29 1.33 4.07 -1.07 -1.28 115.31 119.76 2paq h LEU 149 Ca 0.12 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 2paq h LEU 149 Cb 0.66 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2paq h LEU 149 CO 0.05 0.75 -0.32 0.00 -1.08 0.00 0.00 178.44 177.84 2paq h ALA 150 N 1.41 0.83 0.00 1.53 0.00 -1.11 -1.87 119.26 120.06 2paq h ALA 150 Ca 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2paq h ALA 150 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2paq h ALA 150 CO -0.05 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2paq n ALA 151 N -2.19 2.63 -0.16 0.00 0.00 -0.88 -4.93 120.51 114.98 2paq n ALA 151 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2paq n ALA 151 Cb 0.61 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.90 0.91 3.25 0.00 0.00 -0.70 -5.06 105.19 104.48 2paq n GLY 152 Ca 0.23 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.09 5.57 0.07 1.61 2.47 -0.51 -4.94 114.94 117.12 2paq s ASN 153 Ca 0.00 -1.57 0.26 0.00 0.42 0.00 0.00 52.86 51.97 2paq s ASN 153 Cb 0.00 -1.96 1.04 0.00 -1.45 0.00 0.00 41.25 38.88 2paq s ASN 153 CO 0.00 -0.53 1.82 0.59 -3.72 0.00 0.00 177.10 175.26 2paq n ASN 154 N 4.87 0.27 0.29 -4.21 3.02 -1.26 -3.50 115.26 114.73 2paq n ASN 154 Ca -0.09 0.53 0.19 0.00 -0.03 0.00 0.00 54.58 55.18 2paq n ASN 154 Cb 0.43 -0.60 1.03 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.00 0.00 -0.24 3.52 5.08 -1.92 -2.65 114.58 118.37 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 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 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 -2.83 0.30 0.28 4.33 3.01 -1.23 -4.51 117.46 116.82 2paq n PHE 156 Ca -0.02 -0.15 -0.16 0.00 1.01 0.00 0.00 57.45 58.12 2paq n PHE 156 Cb 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 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 3.84 -0.58 -0.80 4.37 -0.00 -1.73 -1.36 115.31 119.04 2paq h LEU 157 Ca 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 57.88 58.00 2paq h LEU 157 Cb 0.84 0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 41.56 2paq h LEU 157 CO 0.00 -0.36 0.39 -0.07 -0.00 0.00 0.00 178.44 178.39 2paq h LEU 158 N -0.76 0.45 -0.70 1.67 3.38 -1.82 0.11 115.31 117.64 2paq h LEU 158 Ca -0.07 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2paq h LEU 158 Cb 0.56 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2paq h LEU 158 CO 0.12 0.20 -0.18 0.00 0.09 0.00 0.00 178.44 178.66 2paq h ALA 159 N 1.53 0.89 -0.08 1.53 0.00 -1.78 -2.27 119.26 119.08 2paq h ALA 159 Ca 0.43 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2paq h ALA 159 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2paq h ALA 159 CO -0.36 0.63 -0.04 -0.22 0.00 0.00 0.00 179.25 179.26 2paq h LYS 160 N 0.72 -0.03 -0.71 0.00 3.64 -0.00 0.11 116.57 120.29 2paq h LYS 160 Ca 0.11 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2paq h LYS 160 Cb 0.70 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 2paq h LYS 160 CO 0.05 -0.02 0.44 1.15 -2.27 0.00 0.00 179.45 178.80 2paq h THR 161 N -0.04 1.07 0.00 1.00 2.02 -0.61 -0.96 112.91 115.40 2paq h THR 161 Ca 0.05 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 2paq h THR 161 Cb 0.10 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2paq h THR 161 CO -0.10 0.15 -0.52 0.08 0.37 0.00 0.00 175.52 175.50 2paq h ARG 162 N 0.84 0.00 0.00 6.66 0.11 -1.16 -2.96 114.38 117.87 2paq h ARG 162 Ca 0.29 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.27 2paq h ARG 162 Cb 0.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2paq h ARG 162 CO -0.12 0.52 -0.49 -0.07 0.10 0.00 0.00 179.97 179.91 2paq h LEU 163 N 0.00 0.00 -1.28 0.08 3.38 -0.20 -2.71 115.31 114.57 2paq h LEU 163 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2paq h LEU 163 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2paq h LEU 163 CO 0.07 0.49 -0.12 -0.33 0.09 0.00 0.00 178.44 178.63 2paq h GLU 164 N 0.00 0.34 -0.15 1.13 5.08 -1.03 -0.32 114.58 119.62 2paq h GLU 164 Ca -0.00 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.07 2paq h GLU 164 Cb 0.97 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.18 2paq h GLU 164 CO 0.06 0.47 -0.70 0.00 -1.00 0.00 0.00 179.01 177.84 2paq h ALA 165 N 1.56 0.29 -0.80 3.43 0.00 -1.49 -1.97 119.26 120.29 2paq h ALA 165 Ca 0.06 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.46 2paq h ALA 165 Cb 0.41 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2paq h ALA 165 CO 0.02 0.61 0.52 1.15 0.00 0.00 0.00 179.25 181.56 2paq h THR 166 N 0.46 1.06 -0.03 0.00 2.02 -1.28 -1.21 112.91 113.94 2paq h THR 166 Ca -0.04 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 2paq h THR 166 Cb 1.33 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2paq h THR 166 CO 0.15 0.16 -0.34 -0.07 0.37 0.00 0.00 175.52 175.78 2paq h LEU 167 N 0.89 0.36 -0.49 2.58 3.38 -0.99 -1.46 115.31 119.59 2paq h LEU 167 Ca 0.34 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.70 2paq h LEU 167 Cb 0.19 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 2paq h LEU 167 CO -0.11 1.01 -0.22 -0.33 0.09 0.00 0.00 178.44 178.88 2paq h GLU 168 N -0.27 -0.10 -0.71 1.13 4.39 -1.32 0.31 114.58 118.01 2paq h GLU 168 Ca -0.03 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2paq h GLU 168 Cb 1.04 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.67 2paq h GLU 168 CO 0.07 -0.07 0.47 0.00 -1.16 0.00 0.00 179.01 178.32 2paq h ALA 169 N 1.22 1.80 -0.59 3.43 0.00 -1.18 -1.37 119.26 122.57 2paq h ALA 169 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2paq h ALA 169 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2paq h ALA 169 CO -0.56 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.30 2paq n ARG 170 N -4.49 3.02 -1.68 0.00 1.74 -0.55 -5.01 116.66 109.70 2paq n ARG 170 Ca 0.11 -2.38 -0.42 0.00 -0.77 0.00 0.00 57.85 54.39 2paq n ARG 170 Cb 0.29 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.09 1.90 -4.02 5.56 0.63 0.04 -4.93 116.66 116.93 2paq n ARG 171 Ca 0.22 0.67 -0.10 0.00 -0.92 0.00 0.00 57.85 57.72 2paq n ARG 171 Cb 0.69 -2.27 -0.07 0.00 0.45 0.00 0.00 32.46 31.26 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 -0.46 -0.02 0.09 6.15 1.04 -1.26 -5.07 113.70 114.18 2paq s SER 172 Ca 0.58 -0.99 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 2paq s SER 172 Cb -0.56 0.51 -0.15 0.00 0.10 0.00 0.00 66.02 65.92 2paq s SER 172 CO 0.60 -1.02 1.72 1.56 0.98 0.00 0.00 173.24 177.08 2paq h GLN 173 N 2.39 -0.16 -1.94 4.02 4.20 -2.01 -1.86 115.11 119.75 2paq h GLN 173 Ca -0.29 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2paq h GLN 173 Cb 1.24 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2paq h GLN 173 CO 0.42 -0.11 0.00 -0.85 -0.67 0.00 0.00 178.83 177.62 2paq n GLU 174 N -5.17 0.07 0.00 1.46 0.00 -1.26 -1.46 120.64 114.28 2paq n GLU 174 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 2paq n GLU 174 Cb 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.07 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 1.08 0.00 -0.17 -1.84 8.00 -0.70 -1.64 116.55 121.29 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 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.41 0.00 1.24 5.03 -1.54 0.09 116.97 120.38 2paq h TYR 177 Ca 0.00 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.39 2paq h TYR 177 Cb 0.00 0.68 0.00 0.00 1.55 0.00 0.00 36.73 38.96 2paq h TYR 177 CO 0.00 -0.45 0.00 0.34 -1.32 0.00 0.00 178.16 176.73 2paq n PHE 178 N -5.40 0.00 0.00 -3.82 -0.00 -0.65 -1.03 117.46 106.56 2paq n PHE 178 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2paq n PHE 178 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 2paq n PHE 178 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2paq n GLU 180 N 0.12 0.00 -0.09 -4.13 -0.58 0.02 -0.46 120.64 115.52 2paq n GLU 180 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 2paq n GLU 180 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 2paq n GLU 180 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2paq n ILE 181 N 0.00 1.58 -0.01 -3.67 2.08 -0.20 -4.73 119.36 114.42 2paq n ILE 181 Ca 0.00 -0.45 0.10 0.00 0.56 0.00 0.00 62.75 62.96 2paq n ILE 181 Cb 0.00 -1.73 -0.15 0.00 -0.75 0.00 0.00 39.64 37.01 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 -3.78 0.00 -0.02 1.39 3.72 0.40 -4.72 117.46 114.45 2paq n PHE 182 Ca -0.42 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 56.90 2paq n PHE 182 Cb 0.92 -0.45 -0.14 0.00 -0.94 0.00 0.00 39.48 38.88 2paq n PHE 182 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2paq n VAL 183 N -2.18 1.58 0.24 -4.37 0.31 -1.15 -4.09 118.33 108.68 2paq n VAL 183 Ca -0.04 -0.79 0.10 0.00 -0.01 0.00 0.00 64.34 63.61 2paq n VAL 183 Cb 0.51 -1.02 0.59 0.00 -0.91 0.00 0.00 33.84 33.01 2paq n VAL 183 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2paq h PRO 184 N 0.00 0.00 0.00 5.55 0.11 -1.85 -2.96 132.00 132.85 2paq h PRO 184 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 2paq h PRO 184 Cb 1.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.09 2paq h PRO 184 CO 0.08 0.19 -0.00 0.77 -0.21 0.00 0.00 178.00 178.83 2paq h SER 185 N 0.00 0.00 0.00 -2.05 0.02 -1.89 -3.24 113.55 106.39 2paq h SER 185 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2paq h SER 185 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2paq h SER 185 CO 0.02 0.00 1.43 0.49 -1.14 0.00 0.00 176.83 177.64 2paq n PHE 186 N -3.09 0.78 -0.23 3.45 3.01 -1.12 -5.21 117.46 115.04 2paq n PHE 186 Ca -0.01 -1.53 0.00 0.00 1.01 0.00 0.00 57.45 56.92 2paq n PHE 186 Cb 0.21 -1.46 0.00 0.00 -0.01 0.00 0.00 39.48 38.23 2paq n PHE 186 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35