#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o95 s PRO 2 N 0.00 4.09 1.26 0.03 0.04 -1.26 -5.06 135.00 134.10 2o95 s PRO 2 Ca 0.00 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 2o95 s PRO 2 Cb 0.00 -2.16 0.31 0.00 0.04 0.00 0.00 34.50 32.69 2o95 s PRO 2 CO 0.00 -0.15 1.02 -1.83 0.04 0.00 0.00 177.00 176.08 2o95 s GLU 3 N -3.44 -1.68 0.62 4.56 -1.05 -1.26 -4.96 118.70 111.49 2o95 s GLU 3 Ca 0.62 0.24 -0.19 0.00 -0.15 0.00 0.00 54.97 55.49 2o95 s GLU 3 Cb -0.10 -1.51 -0.02 0.00 -0.44 0.00 0.00 34.13 32.05 2o95 s GLU 3 CO 0.19 -4.08 1.31 -0.51 0.95 0.00 0.00 175.26 173.12 2o95 s LEU 4 N -7.30 3.64 0.23 1.83 1.43 -1.26 -4.91 118.68 112.34 2o95 s LEU 4 Ca 0.69 2.65 0.09 0.00 -1.03 0.00 0.00 54.13 56.54 2o95 s LEU 4 Cb -0.15 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 41.71 2o95 s LEU 4 CO 0.59 -1.89 1.51 0.00 0.23 0.00 0.00 176.35 176.78 2o95 h ALA 5 N 0.77 0.78 -3.17 4.21 0.00 -1.95 -3.43 119.26 116.47 2o95 h ALA 5 Ca -0.51 -0.67 -0.67 0.00 0.00 0.00 0.00 54.91 53.06 2o95 h ALA 5 Cb 1.33 -0.12 -0.34 0.00 0.00 0.00 0.00 17.79 18.66 2o95 h ALA 5 CO 0.54 0.92 -0.87 0.08 0.00 0.00 0.00 179.25 179.93 2o95 s VAL 6 N -3.33 2.07 -0.53 0.00 1.01 -1.26 -4.27 120.40 114.09 2o95 s VAL 6 Ca -0.01 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.11 2o95 s VAL 6 Cb 0.12 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 2o95 s VAL 6 CO 0.78 0.55 0.45 0.00 0.00 0.00 0.00 175.10 176.88 2o95 n GLN 7 N 4.18 3.48 -3.66 2.72 10.64 0.17 -4.95 117.38 129.95 2o95 n GLN 7 Ca -0.20 -0.07 -0.15 0.00 -1.83 0.00 0.00 57.00 54.75 2o95 n GLN 7 Cb 0.51 -0.99 -0.08 0.00 -0.86 0.00 0.00 30.24 28.82 2o95 n GLN 7 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2o95 s LYS 8 N -1.89 0.74 -0.13 2.61 2.20 -0.83 -3.73 119.74 118.72 2o95 s LYS 8 Ca 0.04 0.43 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 2o95 s LYS 8 Cb 0.08 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 2o95 s LYS 8 CO 0.40 -0.16 -0.14 0.08 -0.36 0.00 0.00 175.35 175.16 2o95 s VAL 9 N -0.42 1.53 -0.31 4.02 1.01 -0.34 0.27 120.40 126.17 2o95 s VAL 9 Ca -0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2o95 s VAL 9 Cb -0.03 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2o95 s VAL 9 CO 0.04 0.45 0.10 -0.69 0.00 0.00 0.00 175.10 175.00 2o95 s VAL 10 N 1.28 4.07 -0.25 2.92 1.01 0.14 -0.95 120.40 128.62 2o95 s VAL 10 Ca -0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2o95 s VAL 10 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2o95 s VAL 10 CO -0.07 0.01 0.29 -0.69 0.00 0.00 0.00 175.10 174.65 2o95 s VAL 11 N 1.50 5.25 0.41 2.92 1.01 0.83 0.03 120.40 132.36 2o95 s VAL 11 Ca 0.02 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 2o95 s VAL 11 Cb -0.18 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 2o95 s VAL 11 CO 0.03 0.24 1.02 -1.00 0.00 0.00 0.00 175.10 175.40 2o95 s HIS 12 N 1.57 3.28 0.30 5.22 3.76 -0.23 -1.38 115.29 127.80 2o95 s HIS 12 Ca 0.13 1.64 0.05 0.00 -0.15 0.00 0.00 55.06 56.73 2o95 s HIS 12 Cb -0.15 -3.05 0.76 0.00 1.11 0.00 0.00 32.58 31.24 2o95 s HIS 12 CO 0.08 -0.49 1.72 -1.35 -0.85 0.00 0.00 174.74 173.85 2o95 h PRO 13 N 2.34 0.50 -0.89 8.40 0.11 -1.90 -0.75 132.00 139.80 2o95 h PRO 13 Ca -0.48 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.68 2o95 h PRO 13 Cb 1.21 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2o95 h PRO 13 CO 0.62 0.33 0.55 1.25 -0.21 0.00 0.00 178.00 180.54 2o95 h LEU 14 N 0.51 0.83 -0.22 2.35 5.85 -1.91 -0.18 115.31 122.54 2o95 h LEU 14 Ca 0.58 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.33 2o95 h LEU 14 Cb 1.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2o95 h LEU 14 CO -0.48 0.50 0.14 0.58 -0.34 0.00 0.00 178.44 178.84 2o95 h VAL 15 N 0.95 1.06 -0.32 1.05 2.07 -1.39 0.18 116.25 119.86 2o95 h VAL 15 Ca 0.41 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 2o95 h VAL 15 Cb 0.28 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2o95 h VAL 15 CO -0.21 0.06 0.14 0.25 0.02 0.00 0.00 177.57 177.83 2o95 h LEU 16 N 0.29 0.43 -0.54 2.57 5.85 -1.14 -1.15 115.31 121.63 2o95 h LEU 16 Ca 0.08 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2o95 h LEU 16 Cb -0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2o95 h LEU 16 CO -0.02 0.46 0.32 0.25 -0.34 0.00 0.00 178.44 179.11 2o95 h LEU 17 N 0.38 0.65 -0.60 2.25 5.85 -0.94 0.89 115.31 123.78 2o95 h LEU 17 Ca 0.11 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2o95 h LEU 17 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2o95 h LEU 17 CO -0.01 0.52 0.13 0.28 -0.34 0.00 0.00 178.44 179.02 2o95 h SER 18 N 0.72 0.93 -0.15 1.25 0.02 -0.69 0.24 113.55 115.88 2o95 h SER 18 Ca 0.19 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2o95 h SER 18 Cb -0.00 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 2o95 h SER 18 CO -0.04 0.94 -0.24 0.58 -1.14 0.00 0.00 176.83 176.93 2o95 h VAL 19 N 0.89 1.36 -0.12 2.27 2.07 -0.86 -0.21 116.25 121.64 2o95 h VAL 19 Ca 0.19 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 2o95 h VAL 19 Cb 0.38 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2o95 h VAL 19 CO 0.01 0.44 0.03 0.58 0.02 0.00 0.00 177.57 178.65 2o95 h VAL 20 N 0.03 1.19 -0.29 2.57 2.07 -0.74 -1.44 116.25 119.65 2o95 h VAL 20 Ca 0.01 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2o95 h VAL 20 Cb 0.82 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2o95 h VAL 20 CO 0.05 0.18 0.10 -0.78 0.02 0.00 0.00 177.57 177.14 2o95 h ASP 21 N -0.00 0.12 0.15 0.57 3.58 -0.53 0.30 116.42 120.61 2o95 h ASP 21 Ca 0.04 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2o95 h ASP 21 Cb 0.24 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2o95 h ASP 21 CO -0.00 0.10 -0.07 -0.74 -2.88 0.00 0.00 179.24 175.65 2o95 h HIS 22 N 0.23 -0.19 -0.64 0.28 2.76 -0.97 0.02 115.15 116.63 2o95 h HIS 22 Ca 0.13 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.41 2o95 h HIS 22 Cb 0.09 0.06 -0.09 0.00 1.55 0.00 0.00 27.41 29.03 2o95 h HIS 22 CO -0.13 -0.11 0.20 0.35 -1.30 0.00 0.00 177.93 176.94 2o95 h PHE 23 N -0.21 0.33 -0.19 5.26 3.57 -1.03 0.39 116.94 125.06 2o95 h PHE 23 Ca -0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 2o95 h PHE 23 Cb 0.16 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2o95 h PHE 23 CO -0.07 0.02 -0.42 -0.91 -2.23 0.00 0.00 178.31 174.71 2o95 h ASN 24 N 0.34 0.48 -0.41 0.41 2.35 -0.57 -1.08 115.58 117.10 2o95 h ASN 24 Ca 0.34 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 2o95 h ASN 24 Cb 0.49 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2o95 h ASN 24 CO -0.38 0.85 -0.24 0.03 -1.65 0.00 0.00 177.43 176.03 2o95 h ARG 25 N 0.37 0.89 -0.14 0.81 3.08 -0.27 -1.79 114.38 117.33 2o95 h ARG 25 Ca 0.03 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.54 2o95 h ARG 25 Cb 0.89 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2o95 h ARG 25 CO 0.08 1.06 -0.49 -0.84 -1.07 0.00 0.00 179.97 178.71 2o95 h ILE 26 N 0.71 1.33 -0.87 2.04 3.07 -0.92 -2.98 117.51 119.89 2o95 h ILE 26 Ca 0.09 -1.71 0.17 0.00 1.55 0.00 0.00 64.86 64.96 2o95 h ILE 26 Cb 0.81 1.76 -0.10 0.00 -0.27 0.00 0.00 36.82 39.02 2o95 h ILE 26 CO 0.07 0.52 0.43 1.23 -1.05 0.00 0.00 178.15 179.34 2o95 h GLY 27 N 1.23 1.44 2.00 0.16 0.00 -0.89 -0.00 103.07 107.01 2o95 h GLY 27 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2o95 h GLY 27 CO 0.08 -0.12 -0.09 0.50 0.00 0.00 0.00 176.54 176.92 2o95 h LYS 28 N 0.55 0.00 -0.56 4.80 1.57 -1.18 -1.74 116.57 120.01 2o95 h LYS 28 Ca 0.50 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.07 2o95 h LYS 28 Cb 0.80 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.98 2o95 h LYS 28 CO -0.42 0.09 0.17 1.33 -0.57 0.00 0.00 179.45 180.05 2o95 n VAL 29 N -3.43 2.73 -0.72 0.50 0.24 -0.16 -4.94 118.33 112.55 2o95 n VAL 29 Ca -0.01 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.20 2o95 n VAL 29 Cb 0.24 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2o95 n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2o95 n GLY 30 N -0.70 0.79 3.71 7.63 0.00 -0.65 -5.03 105.19 110.94 2o95 n GLY 30 Ca 0.38 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2o95 n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2o95 s ASN 31 N -2.55 6.51 0.00 1.61 3.84 -0.34 -4.87 114.94 119.14 2o95 s ASN 31 Ca 0.00 2.67 0.17 0.00 0.21 0.00 0.00 52.86 55.91 2o95 s ASN 31 Cb 0.00 -2.58 0.18 0.00 -0.55 0.00 0.00 41.25 38.30 2o95 s ASN 31 CO 0.00 -0.90 1.09 0.00 -2.79 0.00 0.00 177.10 174.50 2o95 n GLN 32 N 4.59 1.57 -3.90 0.43 1.13 -1.26 -4.60 117.38 115.34 2o95 n GLN 32 Ca 0.15 -1.64 -0.09 0.00 -1.94 0.00 0.00 57.00 53.48 2o95 n GLN 32 Cb 0.38 -1.34 -0.09 0.00 0.11 0.00 0.00 30.24 29.30 2o95 n GLN 32 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2o95 s LYS 33 N -1.36 0.67 0.55 -1.09 1.02 -1.26 -5.14 119.74 113.13 2o95 s LYS 33 Ca 0.22 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 2o95 s LYS 33 Cb 0.15 0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 37.65 2o95 s LYS 33 CO 0.22 -0.18 0.75 2.89 -0.92 0.00 0.00 175.35 178.10 2o95 n ARG 34 N 0.54 0.76 -3.66 1.68 1.85 -1.26 -5.01 116.66 111.56 2o95 n ARG 34 Ca -0.18 0.29 -0.37 0.00 -1.00 0.00 0.00 57.85 56.59 2o95 n ARG 34 Cb 0.60 -1.90 -0.06 0.00 -1.05 0.00 0.00 32.46 30.05 2o95 n ARG 34 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2o95 s VAL 35 N -1.57 5.23 -0.02 8.89 1.01 -1.26 -4.92 120.40 127.76 2o95 s VAL 35 Ca 0.70 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.32 2o95 s VAL 35 Cb -0.46 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2o95 s VAL 35 CO 0.52 0.59 -0.23 -0.69 0.00 0.00 0.00 175.10 175.29 2o95 s VAL 36 N -1.07 2.32 0.24 2.92 1.01 -1.26 -1.57 120.40 122.98 2o95 s VAL 36 Ca 0.21 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2o95 s VAL 36 Cb -0.15 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.41 2o95 s VAL 36 CO 0.10 0.55 0.40 0.61 0.00 0.00 0.00 175.10 176.76 2o95 n GLY 37 N 2.30 1.91 3.59 4.51 0.00 -0.06 -1.33 105.19 116.10 2o95 n GLY 37 Ca -0.16 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 2o95 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o95 s VAL 38 N -2.56 3.49 -0.01 1.61 1.01 0.10 -0.26 120.40 123.78 2o95 s VAL 38 Ca 0.14 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2o95 s VAL 38 Cb -0.02 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2o95 s VAL 38 CO 0.10 0.23 -0.03 -0.76 0.00 0.00 0.00 175.10 174.64 2o95 s LEU 39 N -1.88 3.35 0.08 3.92 1.43 0.75 -1.31 118.68 125.02 2o95 s LEU 39 Ca 0.20 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2o95 s LEU 39 Cb -0.11 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2o95 s LEU 39 CO 0.11 0.29 -0.20 -0.76 0.23 0.00 0.00 176.35 176.02 2o95 s LEU 40 N -1.44 2.25 0.00 1.79 1.43 0.07 -1.04 118.68 121.74 2o95 s LEU 40 Ca 0.18 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2o95 s LEU 40 Cb -0.11 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2o95 s LEU 40 CO 0.08 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2o95 n GLY 41 N 1.38 -0.85 3.35 -3.19 0.00 0.67 -1.11 105.19 105.43 2o95 n GLY 41 Ca -0.19 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 2o95 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o95 s SER 42 N -4.00 -0.29 -0.05 1.61 1.04 -0.24 -0.82 113.70 110.94 2o95 s SER 42 Ca 0.00 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.21 2o95 s SER 42 Cb 0.00 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2o95 s SER 42 CO 0.00 -0.89 -0.21 0.26 0.98 0.00 0.00 173.24 173.38 2o95 s TRP 43 N -3.80 2.52 0.01 5.02 0.51 -1.26 0.02 118.94 121.96 2o95 s TRP 43 Ca 0.03 -0.45 -0.01 0.00 -2.12 0.00 0.00 56.10 53.55 2o95 s TRP 43 Cb 0.01 -1.60 -0.00 0.00 -0.81 0.00 0.00 33.47 31.07 2o95 s TRP 43 CO -0.11 -0.03 -0.02 1.04 -0.51 0.00 0.00 176.95 177.31 2o95 n GLN 44 N 2.64 0.03 -3.11 4.98 3.00 -0.11 -4.98 117.38 119.82 2o95 n GLN 44 Ca -0.17 0.01 -0.22 0.00 -0.01 0.00 0.00 57.00 56.62 2o95 n GLN 44 Cb 0.52 -0.29 -0.04 0.00 0.00 0.00 0.00 30.24 30.43 2o95 n GLN 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2o95 n LYS 45 N -2.84 1.79 -1.07 -1.09 5.02 -1.26 -4.68 118.16 114.02 2o95 n LYS 45 Ca -0.01 -3.93 -0.03 0.00 -2.02 0.00 0.00 58.31 52.33 2o95 n LYS 45 Cb 0.03 -1.88 -0.01 0.00 -0.02 0.00 0.00 35.03 33.15 2o95 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o95 n LYS 46 N 0.20 -1.85 -3.75 1.97 5.02 -1.26 -4.88 118.16 113.60 2o95 n LYS 46 Ca 0.27 0.57 -0.37 0.00 -2.02 0.00 0.00 58.31 56.77 2o95 n LYS 46 Cb 0.55 -5.00 -0.12 0.00 -0.02 0.00 0.00 35.03 30.44 2o95 n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2o95 s VAL 47 N -1.26 4.52 -0.15 -0.18 1.01 -1.26 0.43 120.40 123.50 2o95 s VAL 47 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2o95 s VAL 47 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2o95 s VAL 47 CO 0.00 0.33 0.43 -0.22 0.00 0.00 0.00 175.10 175.65 2o95 s LEU 48 N 1.54 4.23 -0.34 3.92 2.96 0.14 -0.94 118.68 130.19 2o95 s LEU 48 Ca 0.06 0.68 -0.09 0.00 -0.22 0.00 0.00 54.13 54.56 2o95 s LEU 48 Cb -0.15 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 43.97 2o95 s LEU 48 CO 0.05 -0.02 0.15 -0.62 -1.32 0.00 0.00 176.35 174.58 2o95 s ASP 49 N 0.75 5.47 -0.48 3.68 -1.08 0.10 0.27 116.67 125.39 2o95 s ASP 49 Ca 0.23 -0.96 -0.17 0.00 -0.52 0.00 0.00 52.55 51.13 2o95 s ASP 49 Cb -0.15 -1.94 0.06 0.00 -1.46 0.00 0.00 42.92 39.43 2o95 s ASP 49 CO 0.08 -0.32 0.48 -0.69 0.52 0.00 0.00 175.17 175.25 2o95 s VAL 50 N 1.50 5.09 -0.39 1.11 1.01 0.10 -1.08 120.40 127.74 2o95 s VAL 50 Ca 0.01 -0.78 0.14 0.00 0.00 0.00 0.00 61.98 61.35 2o95 s VAL 50 Cb -0.19 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.85 2o95 s VAL 50 CO 0.05 -0.64 0.47 -1.54 0.00 0.00 0.00 175.10 173.44 2o95 n SER 51 N 5.58 1.10 -3.93 3.32 3.41 -0.27 -1.07 113.62 121.76 2o95 n SER 51 Ca -0.10 -0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 57.93 2o95 n SER 51 Cb 0.45 1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 65.60 2o95 n SER 51 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2o95 s ASN 52 N -2.79 -0.15 0.03 4.04 3.84 -0.96 -4.60 114.94 114.34 2o95 s ASN 52 Ca 0.01 -0.80 -0.28 0.00 0.21 0.00 0.00 52.86 52.01 2o95 s ASN 52 Cb 0.10 0.62 0.10 0.00 -0.55 0.00 0.00 41.25 41.51 2o95 s ASN 52 CO 0.56 -1.18 0.84 -0.94 -2.79 0.00 0.00 177.10 173.59 2o95 s SER 53 N -2.98 -0.39 -0.10 -4.21 1.04 -1.26 -0.75 113.70 105.04 2o95 s SER 53 Ca 0.18 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 2o95 s SER 53 Cb -0.02 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2o95 s SER 53 CO 0.07 -0.69 0.53 0.72 0.98 0.00 0.00 173.24 174.85 2o95 s PHE 54 N -3.24 -0.52 0.52 5.02 -0.71 -0.43 -4.95 117.98 113.67 2o95 s PHE 54 Ca 0.05 1.05 -0.17 0.00 -1.04 0.00 0.00 56.93 56.82 2o95 s PHE 54 Cb -0.01 0.25 -0.08 0.00 -1.21 0.00 0.00 43.02 41.97 2o95 s PHE 54 CO -0.09 -0.43 0.99 0.00 -1.34 0.00 0.00 175.22 174.35 2o95 s ALA 55 N -0.63 3.04 0.05 1.99 0.00 -1.26 0.03 121.76 124.97 2o95 s ALA 55 Ca -0.07 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2o95 s ALA 55 Cb -0.03 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2o95 s ALA 55 CO 0.05 -0.27 -0.14 0.14 0.00 0.00 0.00 175.76 175.54 2o95 s VAL 56 N -2.59 1.06 0.09 0.00 -7.23 -0.44 -4.83 120.40 106.46 2o95 s VAL 56 Ca 0.59 -1.06 -0.35 0.00 -1.81 0.00 0.00 61.98 59.36 2o95 s VAL 56 Cb -0.10 -0.98 -0.14 0.00 0.56 0.00 0.00 36.38 35.71 2o95 s VAL 56 CO 0.31 -0.07 1.60 -2.65 -0.31 0.00 0.00 175.10 173.99 2o95 n PRO 57 N 1.76 1.99 -3.74 4.82 -0.02 -1.26 -4.55 135.00 133.99 2o95 n PRO 57 Ca -0.19 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 2o95 n PRO 57 Cb 0.55 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 2o95 n PRO 57 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2o95 s PHE 58 N 1.50 -0.39 0.03 6.00 5.36 -1.26 -3.73 117.98 125.50 2o95 s PHE 58 Ca 0.83 0.91 0.03 0.00 -0.96 0.00 0.00 56.93 57.73 2o95 s PHE 58 Cb -0.73 0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.06 2o95 s PHE 58 CO 0.42 -0.22 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.37 2o95 s ASP 59 N 0.69 1.06 -0.12 6.13 1.01 -0.33 -4.99 116.67 120.13 2o95 s ASP 59 Ca -0.04 -0.41 -0.12 0.00 0.71 0.00 0.00 52.55 52.69 2o95 s ASP 59 Cb -0.06 -0.04 0.03 0.00 1.01 0.00 0.00 42.92 43.87 2o95 s ASP 59 CO -0.04 -0.06 0.34 -1.83 0.21 0.00 0.00 175.17 173.79 2o95 s GLU 60 N -1.08 0.42 0.12 8.23 -1.05 -1.26 -0.23 118.70 123.86 2o95 s GLU 60 Ca -0.03 0.42 -0.30 0.00 -0.15 0.00 0.00 54.97 54.91 2o95 s GLU 60 Cb -0.07 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.76 2o95 s GLU 60 CO 0.01 -0.06 1.09 0.34 0.95 0.00 0.00 175.26 177.58 2o95 s ASP 61 N 0.06 7.27 0.00 0.83 -1.08 0.15 -4.90 116.67 119.00 2o95 s ASP 61 Ca -0.01 1.98 0.30 0.00 -0.52 0.00 0.00 52.55 54.29 2o95 s ASP 61 Cb -0.03 -2.59 1.44 0.00 -1.46 0.00 0.00 42.92 40.28 2o95 s ASP 61 CO 0.01 -0.26 1.96 -0.90 0.52 0.00 0.00 175.17 176.51 2o95 n ASP 62 N 2.96 0.79 -0.08 -0.34 3.85 -1.26 -2.85 116.55 119.62 2o95 n ASP 62 Ca 0.04 -1.24 -0.10 0.00 -0.71 0.00 0.00 54.79 52.78 2o95 n ASP 62 Cb 0.47 -0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.15 2o95 n ASP 62 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2o95 n LYS 63 N -0.39 0.99 -3.39 0.11 4.76 -1.26 -4.88 118.16 114.10 2o95 n LYS 63 Ca 0.21 0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.54 2o95 n LYS 63 Cb 0.24 -1.36 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 2o95 n LYS 63 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2o95 s ASP 64 N -5.30 1.57 0.00 4.39 -1.08 -1.18 -5.00 116.67 110.07 2o95 s ASP 64 Ca -0.17 -0.85 0.07 0.00 -0.52 0.00 0.00 52.55 51.08 2o95 s ASP 64 Cb 0.05 0.53 0.44 0.00 -1.46 0.00 0.00 42.92 42.49 2o95 s ASP 64 CO 0.48 -0.37 1.25 -0.90 0.52 0.00 0.00 175.17 176.15 2o95 n ASP 65 N 5.17 0.00 0.23 -0.34 3.85 -1.13 -1.19 116.55 123.14 2o95 n ASP 65 Ca -0.00 -1.68 0.16 0.00 -0.71 0.00 0.00 54.79 52.55 2o95 n ASP 65 Cb 0.46 0.00 0.76 0.00 -1.35 0.00 0.00 41.12 40.99 2o95 n ASP 65 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 2o95 h SER 66 N 0.00 0.00 -3.47 -1.12 4.64 -1.95 -3.38 113.55 108.28 2o95 h SER 66 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2o95 h SER 66 Cb 0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 2o95 h SER 66 CO 0.00 0.00 -0.28 -0.69 -0.87 0.00 0.00 176.83 174.99 2o95 s VAL 67 N -3.68 5.15 -0.06 0.95 1.01 -0.33 -5.00 120.40 118.44 2o95 s VAL 67 Ca -0.01 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2o95 s VAL 67 Cb 0.09 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.50 2o95 s VAL 67 CO 0.37 -0.44 0.64 -1.66 0.00 0.00 0.00 175.10 174.01 2o95 s TRP 68 N 1.94 -0.61 -0.03 5.22 1.48 -1.26 0.31 118.94 126.00 2o95 s TRP 68 Ca 0.09 1.08 -0.05 0.00 -1.06 0.00 0.00 56.10 56.16 2o95 s TRP 68 Cb -0.19 0.36 0.01 0.00 -1.16 0.00 0.00 33.47 32.49 2o95 s TRP 68 CO 0.11 -0.56 0.11 0.12 -4.06 0.00 0.00 176.95 172.67 2o95 s PHE 69 N -1.08 -0.05 0.03 1.66 5.36 0.68 -4.97 117.98 119.60 2o95 s PHE 69 Ca -0.10 0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 2o95 s PHE 69 Cb -0.01 -0.00 -0.02 0.00 -0.34 0.00 0.00 43.02 42.65 2o95 s PHE 69 CO 0.09 -0.14 -0.06 -0.48 -1.46 0.00 0.00 175.22 173.17 2o95 s LEU 70 N -0.46 2.20 -0.41 6.12 0.05 -1.26 -1.18 118.68 123.73 2o95 s LEU 70 Ca -0.05 -0.44 -0.26 0.00 0.05 0.00 0.00 54.13 53.42 2o95 s LEU 70 Cb -0.04 -0.13 0.02 0.00 -2.05 0.00 0.00 46.19 44.00 2o95 s LEU 70 CO 0.00 -0.17 0.97 -0.62 -0.55 0.00 0.00 176.35 175.98 2o95 s ASP 71 N -1.24 6.63 0.42 1.48 2.15 -1.24 -4.86 116.67 120.00 2o95 s ASP 71 Ca -0.09 0.44 0.23 0.00 0.43 0.00 0.00 52.55 53.56 2o95 s ASP 71 Cb -0.08 -2.48 0.80 0.00 -0.30 0.00 0.00 42.92 40.87 2o95 s ASP 71 CO 0.00 -0.98 1.78 1.12 -0.17 0.00 0.00 175.17 176.92 2o95 h HIS 72 N 8.76 0.00 -0.62 -5.34 2.07 -1.99 -1.67 115.15 116.37 2o95 h HIS 72 Ca -0.23 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.24 2o95 h HIS 72 Cb 1.07 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.03 2o95 h HIS 72 CO 0.87 0.26 0.21 -0.44 -3.07 0.00 0.00 177.93 175.76 2o95 h ASP 73 N 0.00 0.88 -0.11 3.10 3.32 -1.99 -0.01 116.42 121.62 2o95 h ASP 73 Ca -0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2o95 h ASP 73 Cb 0.82 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2o95 h ASP 73 CO 0.03 0.84 0.05 0.22 -1.72 0.00 0.00 179.24 178.67 2o95 h TYR 74 N 0.87 0.16 -0.70 4.55 3.20 -1.83 0.30 116.97 123.52 2o95 h TYR 74 Ca 0.20 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2o95 h TYR 74 Cb 0.26 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2o95 h TYR 74 CO 0.02 0.22 0.27 1.37 -1.64 0.00 0.00 178.16 178.39 2o95 h LEU 75 N 0.05 0.98 -0.51 2.82 8.10 -1.08 0.19 115.31 125.85 2o95 h LEU 75 Ca 0.04 -0.18 -0.08 0.00 0.11 0.00 0.00 57.88 57.77 2o95 h LEU 75 Cb 0.12 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 2o95 h LEU 75 CO -0.00 0.89 0.01 -0.33 -4.11 0.00 0.00 178.44 174.90 2o95 h GLU 76 N 1.00 0.89 0.02 0.17 5.08 -0.77 -0.23 114.58 120.74 2o95 h GLU 76 Ca 0.23 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2o95 h GLU 76 Cb 0.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2o95 h GLU 76 CO -0.02 0.91 -0.01 -0.97 -1.00 0.00 0.00 179.01 177.93 2o95 h ASN 77 N 0.76 -0.02 -0.52 1.42 -1.24 0.13 0.61 115.58 116.72 2o95 h ASN 77 Ca 0.15 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2o95 h ASN 77 Cb 0.51 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 2o95 h ASN 77 CO 0.02 0.02 0.30 -0.03 -1.29 0.00 0.00 177.43 176.45 2o95 h MET 78 N -0.06 0.71 -0.17 6.67 4.05 -0.58 -0.04 114.93 125.51 2o95 h MET 78 Ca -0.00 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2o95 h MET 78 Cb 0.05 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2o95 h MET 78 CO 0.00 0.52 0.10 -0.92 0.23 0.00 0.00 176.91 176.84 2o95 h TYR 79 N 0.69 0.23 -0.93 1.39 3.20 -0.90 0.17 116.97 120.82 2o95 h TYR 79 Ca 0.18 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.14 2o95 h TYR 79 Cb 0.01 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.14 2o95 h TYR 79 CO -0.02 0.21 0.60 0.78 -1.64 0.00 0.00 178.16 178.09 2o95 h GLY 80 N 0.18 1.38 1.95 1.82 0.00 -0.28 0.51 103.07 108.63 2o95 h GLY 80 Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.81 2o95 h GLY 80 CO -0.01 0.24 -0.82 -0.33 0.00 0.00 0.00 176.54 175.63 2o95 h MET 81 N 0.98 0.04 -0.64 4.80 2.86 -0.47 -2.56 114.93 119.94 2o95 h MET 81 Ca 0.42 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.99 2o95 h MET 81 Cb 0.33 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2o95 h MET 81 CO -0.18 0.83 0.32 0.74 1.06 0.00 0.00 176.91 179.68 2o95 h PHE 82 N 0.02 0.90 -0.02 -0.22 0.05 -0.13 -3.19 116.94 114.36 2o95 h PHE 82 Ca -0.02 -0.04 -0.02 0.00 3.82 0.00 0.00 57.97 61.72 2o95 h PHE 82 Cb 1.43 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 39.10 2o95 h PHE 82 CO 0.01 0.67 -0.06 -0.22 -0.18 0.00 0.00 178.31 178.52 2o95 h LYS 83 N 0.87 0.03 0.00 1.51 3.64 -0.57 0.14 116.57 122.19 2o95 h LYS 83 Ca 0.22 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2o95 h LYS 83 Cb 0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2o95 h LYS 83 CO -0.03 0.09 0.00 0.87 -2.27 0.00 0.00 179.45 178.11 2o95 h LYS 84 N 0.03 0.00 0.00 1.90 1.57 -1.45 -3.34 116.57 115.28 2o95 h LYS 84 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2o95 h LYS 84 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2o95 h LYS 84 CO 0.01 0.00 -0.82 1.33 -0.57 0.00 0.00 179.45 179.40 2o95 n VAL 85 N -2.66 0.00 -3.59 0.50 0.24 -0.33 -5.07 118.33 107.43 2o95 n VAL 85 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2o95 n VAL 85 Cb 0.21 -0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 32.07 2o95 n VAL 85 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2o95 s ASN 86 N -2.37 6.34 0.39 -1.34 0.01 0.33 -5.05 114.94 113.26 2o95 s ASN 86 Ca 0.00 0.39 -0.26 0.00 -0.71 0.00 0.00 52.86 52.28 2o95 s ASN 86 Cb 0.00 -2.00 -0.11 0.00 0.41 0.00 0.00 41.25 39.55 2o95 s ASN 86 CO 0.00 -0.16 1.27 0.00 -1.51 0.00 0.00 177.10 176.70 2o95 n ALA 87 N -1.24 1.24 -1.37 0.60 0.00 -1.26 -4.82 120.51 113.66 2o95 n ALA 87 Ca -0.05 0.30 -0.55 0.00 0.00 0.00 0.00 53.44 53.14 2o95 n ALA 87 Cb 0.55 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 2o95 n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2o95 n ARG 88 N 0.26 0.00 -3.92 0.00 0.00 -1.26 -4.94 116.66 106.80 2o95 n ARG 88 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.82 2o95 n ARG 88 Cb 0.38 -1.23 -0.09 0.00 0.00 0.00 0.00 32.46 31.53 2o95 n ARG 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2o95 s GLU 89 N 2.78 0.67 0.12 -0.14 -1.05 -1.26 -4.93 118.70 114.89 2o95 s GLU 89 Ca 0.87 -0.86 0.07 0.00 -0.15 0.00 0.00 54.97 54.91 2o95 s GLU 89 Cb -1.23 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 32.69 2o95 s GLU 89 CO 0.65 -0.18 -0.17 1.03 0.95 0.00 0.00 175.26 177.55 2o95 s ARG 90 N -3.13 1.08 -0.06 -4.83 0.52 -0.00 -4.83 118.95 107.70 2o95 s ARG 90 Ca -0.01 -1.23 -0.34 0.00 -0.52 0.00 0.00 55.73 53.64 2o95 s ARG 90 Cb 0.02 -1.10 -0.12 0.00 0.52 0.00 0.00 34.95 34.27 2o95 s ARG 90 CO -0.07 0.23 1.87 -0.89 0.02 0.00 0.00 175.30 176.47 2o95 n ILE 91 N 0.69 0.57 -0.10 1.52 5.41 -1.26 -0.24 119.36 125.94 2o95 n ILE 91 Ca -0.17 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2o95 n ILE 91 Cb 0.56 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2o95 n ILE 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2o95 n VAL 92 N 5.10 0.00 -0.78 1.39 0.24 -0.20 -4.62 118.33 119.45 2o95 n VAL 92 Ca 0.22 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2o95 n VAL 92 Cb 0.30 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 2o95 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2o95 n GLY 93 N 0.36 -0.40 3.63 7.63 0.00 -1.16 -2.24 105.19 113.01 2o95 n GLY 93 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 2o95 n GLY 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2o95 s TRP 94 N -3.79 0.29 0.10 1.61 1.48 -0.07 -0.17 118.94 118.38 2o95 s TRP 94 Ca 0.00 -0.67 -0.02 0.00 -1.06 0.00 0.00 56.10 54.35 2o95 s TRP 94 Cb 0.00 0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 32.55 2o95 s TRP 94 CO 0.00 -1.05 0.05 1.52 -4.06 0.00 0.00 176.95 173.42 2o95 s TYR 95 N -3.95 0.62 0.17 1.66 -0.85 0.64 -0.94 117.35 114.69 2o95 s TYR 95 Ca 0.21 -1.07 -0.13 0.00 -0.52 0.00 0.00 57.07 55.57 2o95 s TYR 95 Cb -0.02 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 41.97 2o95 s TYR 95 CO 0.09 -0.48 0.38 -3.38 -1.52 0.00 0.00 175.55 170.64 2o95 s HIS 96 N -3.97 0.15 -2.45 -3.49 -3.43 -1.01 -0.88 115.29 100.21 2o95 s HIS 96 Ca 0.15 -0.51 0.27 0.00 -0.80 0.00 0.00 55.06 54.17 2o95 s HIS 96 Cb 0.07 0.13 0.94 0.00 -1.43 0.00 0.00 32.58 32.30 2o95 s HIS 96 CO -0.04 -0.79 1.68 0.25 -2.00 0.00 0.00 174.74 173.84 2o95 n THR 97 N -0.26 0.00 -0.59 -5.38 -2.24 -0.61 -0.75 114.28 104.46 2o95 n THR 97 Ca -0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2o95 n THR 97 Cb 0.63 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2o95 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o95 n GLY 98 N 1.21 2.06 0.30 3.38 0.00 -1.26 -4.51 105.19 106.37 2o95 n GLY 98 Ca 0.18 -0.40 0.20 0.00 0.00 0.00 0.00 46.02 45.99 2o95 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o95 h PRO 99 N 0.00 0.00 -5.06 1.61 0.13 -1.94 -3.42 132.00 123.31 2o95 h PRO 99 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2o95 h PRO 99 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2o95 h PRO 99 CO 0.00 0.00 -0.57 0.15 -0.23 0.00 0.00 178.00 177.35 2o95 s LYS 100 N -3.95 1.71 0.34 0.86 1.02 -1.26 -4.98 119.74 113.48 2o95 s LYS 100 Ca -0.03 -1.99 -0.29 0.00 0.02 0.00 0.00 55.97 53.68 2o95 s LYS 100 Cb 0.11 -0.58 -0.12 0.00 -0.52 0.00 0.00 37.83 36.72 2o95 s LYS 100 CO 0.41 -0.35 1.43 1.28 -0.92 0.00 0.00 175.35 177.20 2o95 n LEU 101 N -0.73 4.11 -4.80 3.17 4.77 -1.26 -5.02 117.00 117.24 2o95 n LEU 101 Ca -0.03 1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 56.89 2o95 n LEU 101 Cb 0.66 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 2o95 n LEU 101 CO 0.38 -0.13 -0.21 -1.00 -1.33 0.00 0.00 177.39 175.09 2o95 s HIS 102 N -0.81 3.16 0.42 -1.77 3.76 -1.26 -5.03 115.29 113.76 2o95 s HIS 102 Ca 0.57 -0.01 0.13 0.00 -0.15 0.00 0.00 55.06 55.60 2o95 s HIS 102 Cb -0.53 -1.52 0.99 0.00 1.11 0.00 0.00 32.58 32.63 2o95 s HIS 102 CO 0.59 0.52 1.95 0.87 -0.85 0.00 0.00 174.74 177.82 2o95 h LYS 103 N 2.41 0.46 -0.12 1.40 1.57 -1.95 -1.16 116.57 119.17 2o95 h LYS 103 Ca -0.48 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2o95 h LYS 103 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2o95 h LYS 103 CO 0.63 0.30 0.00 0.27 -0.57 0.00 0.00 179.45 180.09 2o95 n ASN 104 N -4.48 1.25 -0.10 0.86 0.23 -1.26 -4.22 115.26 107.54 2o95 n ASN 104 Ca 0.12 -1.63 -0.04 0.00 -0.53 0.00 0.00 54.58 52.50 2o95 n ASN 104 Cb 0.41 -0.08 0.17 0.00 -2.08 0.00 0.00 39.78 38.20 2o95 n ASN 104 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2o95 h ASP 105 N 1.68 0.74 -0.75 0.53 3.32 -1.59 0.15 116.42 120.50 2o95 h ASP 105 Ca 0.00 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.90 2o95 h ASP 105 Cb 0.37 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2o95 h ASP 105 CO 0.00 0.80 0.48 0.40 -1.72 0.00 0.00 179.24 179.20 2o95 h ILE 106 N 0.72 1.14 -0.31 0.35 1.08 -1.79 0.84 117.51 119.54 2o95 h ILE 106 Ca 0.14 -0.33 -0.09 0.00 -0.39 0.00 0.00 64.86 64.19 2o95 h ILE 106 Cb 0.44 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2o95 h ILE 106 CO 0.02 0.18 -0.17 0.00 -0.69 0.00 0.00 178.15 177.49 2o95 h ALA 107 N 1.30 0.43 -0.53 1.87 0.00 -1.59 -0.80 119.26 119.94 2o95 h ALA 107 Ca 0.29 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2o95 h ALA 107 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2o95 h ALA 107 CO -0.09 0.35 0.29 0.82 0.00 0.00 0.00 179.25 180.61 2o95 h ILE 108 N 0.41 0.98 -0.65 0.00 2.04 -0.49 -2.39 117.51 117.41 2o95 h ILE 108 Ca 0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2o95 h ILE 108 Cb 0.70 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2o95 h ILE 108 CO 0.05 0.10 0.42 -1.13 0.00 0.00 0.00 178.15 177.59 2o95 h ASN 109 N 0.56 0.76 -0.90 1.72 -1.24 -0.55 -0.19 115.58 115.73 2o95 h ASN 109 Ca 0.23 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 2o95 h ASN 109 Cb 0.11 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 2o95 h ASN 109 CO -0.14 0.56 0.55 -0.33 -1.29 0.00 0.00 177.43 176.78 2o95 h GLU 110 N 0.89 1.23 -0.35 6.67 4.39 -0.68 0.17 114.58 126.90 2o95 h GLU 110 Ca 0.24 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2o95 h GLU 110 Cb -0.08 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.30 2o95 h GLU 110 CO -0.05 0.86 0.07 1.25 -1.16 0.00 0.00 179.01 179.97 2o95 h LEU 111 N 1.25 0.55 -1.56 1.33 6.46 -0.82 -2.97 115.31 119.55 2o95 h LEU 111 Ca 0.33 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2o95 h LEU 111 Cb -0.06 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2o95 h LEU 111 CO -0.06 0.66 0.10 0.24 -0.62 0.00 0.00 178.44 178.76 2o95 h MET 112 N 0.41 0.39 0.00 1.25 2.86 -0.38 -1.92 114.93 117.54 2o95 h MET 112 Ca 0.11 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2o95 h MET 112 Cb 0.34 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2o95 h MET 112 CO 0.00 0.34 0.00 0.87 1.06 0.00 0.00 176.91 179.18 2o95 h LYS 113 N 0.39 0.00 -0.54 1.72 1.57 -0.51 0.46 116.57 119.66 2o95 h LYS 113 Ca 0.10 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.01 2o95 h LYS 113 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2o95 h LYS 113 CO -0.01 0.00 0.38 0.00 -0.57 0.00 0.00 179.45 179.25 2o95 h ARG 114 N 0.00 0.15 0.00 3.15 3.08 -1.35 -3.03 114.38 116.38 2o95 h ARG 114 Ca 0.00 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2o95 h ARG 114 Cb 0.14 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2o95 h ARG 114 CO 0.00 0.10 -2.04 0.66 -1.07 0.00 0.00 179.97 177.62 2o95 n TYR 115 N -4.43 0.00 -3.35 3.04 4.01 0.09 -4.83 117.16 111.70 2o95 n TYR 115 Ca 0.10 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.68 2o95 n TYR 115 Cb 0.50 -0.67 -0.07 0.00 -0.31 0.00 0.00 39.34 38.79 2o95 n TYR 115 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2o95 h PRO 117 N 7.15 0.20 -0.87 0.00 0.11 -1.82 0.66 132.00 137.42 2o95 h PRO 117 Ca 0.04 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.59 2o95 h PRO 117 Cb 1.07 -0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.85 2o95 h PRO 117 CO 0.20 0.13 0.47 0.09 -0.21 0.00 0.00 178.00 178.68 2o95 n ASN 118 N -4.41 5.37 -4.53 -2.05 3.02 -1.26 -4.92 115.26 106.48 2o95 n ASN 118 Ca 0.22 -3.73 -0.53 0.00 -0.03 0.00 0.00 54.58 50.51 2o95 n ASN 118 Cb 0.94 -0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 2o95 n ASN 118 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2o95 n SER 119 N -1.00 0.57 -4.43 6.41 2.88 0.22 -4.89 113.62 113.38 2o95 n SER 119 Ca 0.55 1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 58.91 2o95 n SER 119 Cb 1.07 -1.06 -0.14 0.00 -0.75 0.00 0.00 64.21 63.33 2o95 n SER 119 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2o95 s VAL 120 N -0.06 3.02 -0.09 2.46 1.01 -0.95 -4.48 120.40 121.31 2o95 s VAL 120 Ca 0.81 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 2o95 s VAL 120 Cb -1.05 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2o95 s VAL 120 CO 0.53 0.57 0.33 -0.22 0.00 0.00 0.00 175.10 176.31 2o95 s LEU 121 N -0.37 4.36 -0.17 3.92 2.96 0.43 -0.89 118.68 128.93 2o95 s LEU 121 Ca 0.04 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 2o95 s LEU 121 Cb -0.12 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.15 2o95 s LEU 121 CO 0.02 0.23 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.40 2o95 s VAL 122 N -0.39 2.03 -0.21 1.68 1.01 -0.12 0.13 120.40 124.52 2o95 s VAL 122 Ca 0.20 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 2o95 s VAL 122 Cb -0.14 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2o95 s VAL 122 CO 0.08 0.54 0.81 -0.63 0.00 0.00 0.00 175.10 175.90 2o95 s ILE 123 N 1.21 4.87 -0.30 2.22 1.01 0.10 -2.40 121.20 127.91 2o95 s ILE 123 Ca 0.03 1.56 -0.09 0.00 0.00 0.00 0.00 60.65 62.15 2o95 s ILE 123 Cb -0.13 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 2o95 s ILE 123 CO -0.11 -0.02 0.14 -0.63 0.00 0.00 0.00 174.94 174.32 2o95 s ILE 124 N 2.50 4.58 -0.33 2.92 1.01 0.07 -1.20 121.20 130.74 2o95 s ILE 124 Ca 0.36 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 2o95 s ILE 124 Cb -0.16 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 2o95 s ILE 124 CO 0.09 0.11 1.54 -0.62 0.00 0.00 0.00 174.94 176.06 2o95 s ASP 125 N 1.62 6.29 0.00 3.58 -1.08 0.96 -4.23 116.67 123.81 2o95 s ASP 125 Ca 0.05 1.20 0.21 0.00 -0.52 0.00 0.00 52.55 53.49 2o95 s ASP 125 Cb -0.17 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.08 2o95 s ASP 125 CO 0.06 -1.40 1.30 1.33 0.52 0.00 0.00 175.17 176.98 2o95 n VAL 126 N 6.87 0.35 -2.50 1.11 0.24 -1.26 -4.85 118.33 118.29 2o95 n VAL 126 Ca 0.18 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 2o95 n VAL 126 Cb 0.47 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.93 2o95 n VAL 126 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2o95 s LYS 127 N -1.52 4.37 0.32 7.34 1.02 -1.26 -4.93 119.74 125.07 2o95 s LYS 127 Ca 0.32 1.63 0.06 0.00 0.02 0.00 0.00 55.97 58.00 2o95 s LYS 127 Cb 0.20 -3.55 0.72 0.00 -0.52 0.00 0.00 37.83 34.69 2o95 s LYS 127 CO 0.28 -0.42 1.83 -1.35 -0.92 0.00 0.00 175.35 174.78 2o95 h PRO 128 N 7.37 0.78 -2.26 -1.68 0.11 -2.03 -3.12 132.00 131.16 2o95 h PRO 128 Ca -0.34 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.14 2o95 h PRO 128 Cb 1.16 -0.18 -0.42 0.00 0.11 0.00 0.00 31.00 31.68 2o95 h PRO 128 CO 0.87 0.51 -0.65 1.63 -0.21 0.00 0.00 178.00 180.15 2o95 n LYS 129 N -4.63 3.02 -4.29 1.05 5.02 -1.26 -5.21 118.16 111.86 2o95 n LYS 129 Ca 0.20 -4.77 -0.15 0.00 -2.02 0.00 0.00 58.31 51.56 2o95 n LYS 129 Cb 0.48 -2.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.17 2o95 n LYS 129 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2o95 s ASP 130 N -3.25 1.53 0.00 4.39 1.11 -1.19 -5.21 116.67 114.06 2o95 s ASP 130 Ca 0.47 -1.20 0.00 0.00 0.18 0.00 0.00 52.55 52.00 2o95 s ASP 130 Cb 0.26 0.06 0.00 0.00 1.07 0.00 0.00 42.92 44.31 2o95 s ASP 130 CO -0.11 -0.54 0.00 0.61 1.18 0.00 0.00 175.17 176.30 2o95 n GLY 132 N -0.34 -2.90 2.55 0.21 0.00 -1.26 -5.02 105.19 98.43 2o95 n GLY 132 Ca -0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 2o95 n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2o95 n LEU 133 N 0.02 -5.92 0.19 0.99 4.32 -1.26 -5.08 117.00 110.26 2o95 n LEU 133 Ca 0.00 0.18 0.07 0.00 -0.02 0.00 0.00 56.01 56.23 2o95 n LEU 133 Cb 0.00 -2.72 0.56 0.00 -1.62 0.00 0.00 43.42 39.65 2o95 n LEU 133 CO 0.00 -1.29 1.06 1.55 -1.22 0.00 0.00 177.39 177.50 2o95 h PRO 134 N 0.91 0.13 -5.91 3.23 0.13 -1.94 -3.44 132.00 125.12 2o95 h PRO 134 Ca 0.00 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.57 2o95 h PRO 134 Cb 0.86 -0.03 -0.25 0.00 0.13 0.00 0.00 31.00 31.70 2o95 h PRO 134 CO 0.18 0.12 -0.83 0.95 -0.23 0.00 0.00 178.00 178.19 2o95 s THR 135 N -5.11 1.54 -0.09 1.56 -4.23 -1.26 -0.03 115.64 108.03 2o95 s THR 135 Ca -0.06 -1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2o95 s THR 135 Cb 0.17 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.69 2o95 s THR 135 CO 0.69 0.16 0.01 -0.70 -0.54 0.00 0.00 174.62 174.24 2o95 s GLU 136 N -1.18 0.54 0.12 3.99 2.12 -0.34 -4.87 118.70 119.09 2o95 s GLU 136 Ca 0.06 0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.48 2o95 s GLU 136 Cb -0.09 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 2o95 s GLU 136 CO 0.02 -0.36 0.11 0.00 -0.54 0.00 0.00 175.26 174.49 2o95 s ALA 137 N 1.98 3.59 0.02 6.30 0.00 -1.25 0.01 121.76 132.41 2o95 s ALA 137 Ca 0.04 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 2o95 s ALA 137 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2o95 s ALA 137 CO -0.06 0.64 0.15 0.71 0.00 0.00 0.00 175.76 177.21 2o95 s TYR 138 N -1.56 0.06 -0.03 0.00 2.02 0.12 -0.69 117.35 117.27 2o95 s TYR 138 Ca 0.30 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2o95 s TYR 138 Cb -0.11 -0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.40 2o95 s TYR 138 CO 0.23 -0.34 -0.11 -1.50 -1.57 0.00 0.00 175.55 172.27 2o95 s ILE 139 N -1.83 0.90 0.25 2.71 2.07 -0.33 -0.42 121.20 124.55 2o95 s ILE 139 Ca -0.11 -0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 58.40 2o95 s ILE 139 Cb -0.05 -0.80 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 2o95 s ILE 139 CO -0.00 0.28 1.34 -0.55 -1.91 0.00 0.00 174.94 174.09 2o95 s SER 140 N 0.15 6.82 0.01 4.50 0.15 -1.26 -0.07 113.70 124.00 2o95 s SER 140 Ca -0.03 2.54 0.03 0.00 0.70 0.00 0.00 55.95 59.19 2o95 s SER 140 Cb -0.09 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 2o95 s SER 140 CO 0.01 -0.56 -0.10 0.54 1.20 0.00 0.00 173.24 174.33 2o95 s VAL 141 N -0.26 0.75 0.01 4.45 0.11 0.14 -4.90 120.40 120.71 2o95 s VAL 141 Ca 0.55 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.83 2o95 s VAL 141 Cb -0.39 -0.67 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 2o95 s VAL 141 CO 0.43 0.07 0.49 -0.70 -3.33 0.00 0.00 175.10 172.07 2o95 s GLU 142 N -0.59 4.12 -0.25 1.54 2.12 -1.26 -0.97 118.70 123.41 2o95 s GLU 142 Ca 0.01 0.56 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 2o95 s GLU 142 Cb -0.05 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.09 2o95 s GLU 142 CO 0.00 0.56 -0.05 -1.21 -0.54 0.00 0.00 175.26 174.02 2o95 s GLU 143 N -0.73 2.90 0.24 4.30 2.02 0.30 -4.96 118.70 122.77 2o95 s GLU 143 Ca 0.27 -0.94 -0.16 0.00 0.02 0.00 0.00 54.97 54.16 2o95 s GLU 143 Cb -0.18 -3.01 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 2o95 s GLU 143 CO 0.15 -0.39 0.67 0.08 0.02 0.00 0.00 175.26 175.79 2o95 s VAL 144 N 1.35 4.72 0.00 2.63 1.01 -1.26 0.42 120.40 129.26 2o95 s VAL 144 Ca 0.01 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2o95 s VAL 144 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2o95 s VAL 144 CO -0.04 0.04 0.00 1.41 0.00 0.00 0.00 175.10 176.51 2o95 n HIS 145 N 0.24 0.00 -1.06 5.22 8.25 -1.26 -4.97 115.22 121.64 2o95 n HIS 145 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 2o95 n HIS 145 Cb 0.52 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.49 2o95 n HIS 145 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2o95 n PRO 150 N 0.00 0.00 -1.21 -0.41 -0.05 -1.26 -5.20 135.00 126.87 2o95 n PRO 150 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 63.03 2o95 n PRO 150 Cb 0.00 -0.76 -0.03 0.00 -0.05 0.00 0.00 33.50 32.66 2o95 n PRO 150 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 2o95 n THR 151 N 4.00 1.53 -4.31 0.52 5.66 -1.26 -4.97 114.28 115.45 2o95 n THR 151 Ca 0.41 -0.38 -0.23 0.00 -3.05 0.00 0.00 64.05 60.79 2o95 n THR 151 Cb 0.16 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.82 2o95 n THR 151 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2o95 s SER 152 N -0.77 2.65 -0.10 1.09 0.15 0.17 -4.96 113.70 111.93 2o95 s SER 152 Ca 0.58 -0.76 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2o95 s SER 152 Cb -0.83 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2o95 s SER 152 CO 0.48 0.03 -0.09 -0.54 1.20 0.00 0.00 173.24 174.32 2o95 s LYS 153 N -2.26 3.12 0.05 5.44 1.02 -1.26 0.11 119.74 125.95 2o95 s LYS 153 Ca 0.11 -0.60 -0.00 0.00 0.02 0.00 0.00 55.97 55.49 2o95 s LYS 153 Cb -0.08 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2o95 s LYS 153 CO 0.05 0.43 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.79 2o95 s THR 154 N -0.18 0.28 -0.06 2.17 -1.32 -0.15 -4.94 115.64 111.44 2o95 s THR 154 Ca 0.02 -1.51 -0.22 0.00 -1.21 0.00 0.00 61.69 58.76 2o95 s THR 154 Cb -0.13 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 2o95 s THR 154 CO 0.03 -0.79 0.65 -0.36 -2.21 0.00 0.00 174.62 171.94 2o95 s PHE 155 N -2.97 3.59 -0.16 9.09 0.08 -1.26 0.26 117.98 126.61 2o95 s PHE 155 Ca -0.00 1.19 -0.06 0.00 0.12 0.00 0.00 56.93 58.17 2o95 s PHE 155 Cb 0.01 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 2o95 s PHE 155 CO -0.06 0.15 0.05 -2.00 -0.10 0.00 0.00 175.22 173.26 2o95 s GLU 156 N 0.59 3.73 0.25 0.44 2.12 0.90 -4.92 118.70 121.83 2o95 s GLU 156 Ca 0.35 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 55.03 2o95 s GLU 156 Cb -0.17 -3.12 -0.13 0.00 0.26 0.00 0.00 34.13 30.97 2o95 s GLU 156 CO 0.17 0.41 1.45 0.72 -0.54 0.00 0.00 175.26 177.46 2o95 n HIS 157 N 3.11 2.32 -4.21 5.30 8.25 -1.26 -1.19 115.22 127.55 2o95 n HIS 157 Ca -0.17 0.39 -0.34 0.00 -0.26 0.00 0.00 57.72 57.34 2o95 n HIS 157 Cb 0.53 -2.49 -0.15 0.00 1.12 0.00 0.00 29.99 28.99 2o95 n HIS 157 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2o95 s VAL 158 N -0.07 2.62 0.01 1.59 1.01 0.13 -4.85 120.40 120.85 2o95 s VAL 158 Ca 0.67 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 2o95 s VAL 158 Cb -0.61 -2.13 -0.16 0.00 0.00 0.00 0.00 36.38 33.48 2o95 s VAL 158 CO 0.50 0.50 0.84 0.41 0.00 0.00 0.00 175.10 177.34 2o95 n THR 159 N 4.47 0.11 -4.26 3.92 -1.04 -1.24 -3.81 114.28 112.42 2o95 n THR 159 Ca -0.20 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.64 2o95 n THR 159 Cb 0.51 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.92 2o95 n THR 159 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2o95 s SER 160 N -0.05 1.65 0.00 8.00 0.15 -1.26 -1.19 113.70 121.00 2o95 s SER 160 Ca 0.72 -1.10 -0.28 0.00 0.70 0.00 0.00 55.95 56.00 2o95 s SER 160 Cb -1.01 0.03 0.09 0.00 -1.71 0.00 0.00 66.02 63.41 2o95 s SER 160 CO 0.46 -0.43 0.74 -1.83 1.20 0.00 0.00 173.24 173.39 2o95 s GLU 161 N -3.81 1.01 -0.10 5.44 -1.05 -0.12 -4.90 118.70 115.16 2o95 s GLU 161 Ca 0.21 -0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.66 2o95 s GLU 161 Cb 0.04 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2o95 s GLU 161 CO 0.03 -0.38 1.08 0.42 0.95 0.00 0.00 175.26 177.36 2o95 s ILE 162 N -2.28 4.58 0.01 1.83 -1.09 -1.26 -0.12 121.20 122.87 2o95 s ILE 162 Ca -0.03 1.87 -0.01 0.00 -2.23 0.00 0.00 60.65 60.26 2o95 s ILE 162 Cb -0.01 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 2o95 s ILE 162 CO -0.02 -0.02 -0.01 -0.83 -1.23 0.00 0.00 174.94 172.83 2o95 s GLY 163 N 1.27 0.17 -0.14 6.18 0.00 -0.48 -4.88 107.32 109.44 2o95 s GLY 163 Ca 0.51 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.68 2o95 s GLY 163 CO 0.18 -0.47 0.38 0.00 0.00 0.00 0.00 173.10 173.18 2o95 s ALA 164 N -1.11 -0.93 0.75 3.20 0.00 -1.26 -3.95 121.76 118.46 2o95 s ALA 164 Ca -0.12 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 2o95 s ALA 164 Cb -0.08 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.51 2o95 s ALA 164 CO -0.01 -0.18 1.17 -2.00 0.00 0.00 0.00 175.76 174.74 2o95 s GLU 165 N 0.13 2.07 0.22 0.00 -6.30 -1.26 -4.70 118.70 108.86 2o95 s GLU 165 Ca -0.01 1.61 -0.08 0.00 -2.50 0.00 0.00 54.97 53.99 2o95 s GLU 165 Cb -0.03 -1.84 0.26 0.00 0.00 0.00 0.00 34.13 32.52 2o95 s GLU 165 CO 0.01 -1.86 1.82 1.49 0.02 0.00 0.00 175.26 176.75 2o95 h GLU 166 N -0.58 0.76 -0.53 4.30 4.57 -2.00 0.93 114.58 122.03 2o95 h GLU 166 Ca -0.46 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 2o95 h GLU 166 Cb 1.28 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2o95 h GLU 166 CO 0.49 0.50 0.09 0.00 -1.18 0.00 0.00 179.01 178.92 2o95 h ALA 167 N 1.36 1.17 -0.36 2.92 0.00 -2.00 -1.07 119.26 121.28 2o95 h ALA 167 Ca 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2o95 h ALA 167 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2o95 h ALA 167 CO -0.17 0.56 0.02 1.49 0.00 0.00 0.00 179.25 181.14 2o95 h GLU 168 N 0.79 0.63 -0.86 0.00 4.81 -1.49 -2.03 114.58 116.43 2o95 h GLU 168 Ca 0.17 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2o95 h GLU 168 Cb 0.35 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2o95 h GLU 168 CO 0.01 0.73 0.46 1.49 -0.73 0.00 0.00 179.01 180.96 2o95 h GLU 169 N 0.45 1.21 -0.57 1.92 4.81 -0.21 -1.61 114.58 120.57 2o95 h GLU 169 Ca 0.11 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2o95 h GLU 169 Cb 0.43 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2o95 h GLU 169 CO 0.01 0.89 0.22 0.28 -0.73 0.00 0.00 179.01 179.68 2o95 h VAL 170 N 1.21 1.21 -0.78 0.32 2.07 -1.15 0.43 116.25 119.56 2o95 h VAL 170 Ca 0.30 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2o95 h VAL 170 Cb 0.04 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2o95 h VAL 170 CO -0.05 0.26 0.49 1.23 0.02 0.00 0.00 177.57 179.53 2o95 h GLY 171 N 0.95 1.11 0.84 2.17 0.00 -1.09 0.50 103.07 107.55 2o95 h GLY 171 Ca 0.19 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2o95 h GLY 171 CO -0.02 0.43 0.00 -2.08 0.00 0.00 0.00 176.54 174.87 2o95 h VAL 172 N 1.06 1.25 -0.75 4.60 2.07 -0.53 -0.31 116.25 123.64 2o95 h VAL 172 Ca 0.28 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2o95 h VAL 172 Cb -0.08 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2o95 h VAL 172 CO -0.06 0.28 0.37 -0.33 0.02 0.00 0.00 177.57 177.85 2o95 h GLU 173 N 0.19 0.57 -0.36 1.57 5.08 0.19 -1.70 114.58 120.12 2o95 h GLU 173 Ca 0.07 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2o95 h GLU 173 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2o95 h GLU 173 CO 0.01 0.38 -0.13 0.45 -1.00 0.00 0.00 179.01 178.72 2o95 h HIS 174 N 0.59 0.83 -0.67 4.33 3.86 0.15 -2.36 115.15 121.87 2o95 h HIS 174 Ca 0.38 -0.19 0.07 0.00 -1.16 0.00 0.00 60.37 59.47 2o95 h HIS 174 Cb 0.46 -0.20 -0.09 0.00 1.06 0.00 0.00 27.41 28.64 2o95 h HIS 174 CO -0.11 0.90 -0.53 1.25 0.86 0.00 0.00 177.93 180.30 2o95 h LEU 175 N 0.52 -1.88 -1.10 2.43 6.46 -0.61 -1.94 115.31 119.18 2o95 h LEU 175 Ca 0.09 0.27 0.03 0.00 -0.12 0.00 0.00 57.88 58.14 2o95 h LEU 175 Cb 0.66 0.81 -0.05 0.00 -0.73 0.00 0.00 40.66 41.35 2o95 h LEU 175 CO 0.04 -0.29 0.61 0.25 -0.62 0.00 0.00 178.44 178.44 2o95 h LEU 176 N -0.18 1.02 -2.30 2.25 5.85 -1.10 0.09 115.31 120.94 2o95 h LEU 176 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2o95 h LEU 176 Cb 0.46 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2o95 h LEU 176 CO -0.72 0.71 -0.04 0.03 -0.34 0.00 0.00 178.44 178.08 2o95 h ARG 177 N 1.19 0.00 -0.00 1.25 3.08 -1.11 -3.17 114.38 115.62 2o95 h ARG 177 Ca 0.36 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.20 2o95 h ARG 177 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2o95 h ARG 177 CO -0.10 0.04 -0.89 -0.44 -1.07 0.00 0.00 179.97 177.51 2o95 h ASP 178 N 0.00 0.40 -3.46 7.04 3.32 -0.19 -3.49 116.42 120.05 2o95 h ASP 178 Ca -0.00 -0.32 -0.52 0.00 0.02 0.00 0.00 57.03 56.20 2o95 h ASP 178 Cb 0.19 -0.12 0.05 0.00 0.22 0.00 0.00 39.33 39.67 2o95 h ASP 178 CO 0.01 1.11 0.71 -0.63 -1.72 0.00 0.00 179.24 178.72 2o95 s ILE 179 N -3.27 2.83 0.12 0.35 1.01 -1.19 -5.07 121.20 115.97 2o95 s ILE 179 Ca -0.04 0.71 0.07 0.00 0.00 0.00 0.00 60.65 61.39 2o95 s ILE 179 Cb 0.10 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2o95 s ILE 179 CO 0.85 0.12 -0.07 -0.54 0.00 0.00 0.00 174.94 175.30 2o95 s LYS 180 N -0.53 2.22 0.29 2.79 -0.14 -1.26 -5.12 119.74 118.00 2o95 s LYS 180 Ca 0.57 -1.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.17 2o95 s LYS 180 Cb -0.40 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 2o95 s LYS 180 CO 0.43 0.50 0.47 -0.51 -0.76 0.00 0.00 175.35 175.48 2o95 s ASP 181 N -2.36 6.32 -0.00 2.83 -0.00 -1.26 -4.56 116.67 117.64 2o95 s ASP 181 Ca 0.23 0.34 -0.01 0.00 -0.00 0.00 0.00 52.55 53.11 2o95 s ASP 181 Cb -0.11 -1.98 0.00 0.00 -0.00 0.00 0.00 42.92 40.83 2o95 s ASP 181 CO 0.15 -0.19 0.01 1.07 -0.00 0.00 0.00 175.17 176.22 2o95 n THR 182 N -1.47 -6.65 0.00 -1.27 5.66 -1.26 -5.06 114.28 104.22 2o95 n THR 182 Ca -0.06 1.55 0.00 0.00 -3.05 0.00 0.00 64.05 62.49 2o95 n THR 182 Cb 0.56 -3.84 0.00 0.00 -1.55 0.00 0.00 70.33 65.50 2o95 n THR 182 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2o95 n THR 183 N 1.96 0.00 1.79 1.09 -1.04 -1.26 -5.27 114.28 111.55 2o95 n THR 183 Ca -0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.14 2o95 n THR 183 Cb 0.04 0.00 0.77 0.00 -1.82 0.00 0.00 70.33 69.32 2o95 n THR 183 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95