#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b99 s LYS 3 N 0.00 3.72 -0.05 1.09 3.01 -1.26 -5.05 119.74 121.20 2b99 s LYS 3 Ca 0.00 0.14 0.03 0.00 -1.01 0.00 0.00 55.97 55.14 2b99 s LYS 3 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 37.83 33.73 2b99 s LYS 3 CO 0.00 0.64 -0.14 0.21 0.51 0.00 0.00 175.35 176.57 2b99 s LYS 4 N -1.56 1.63 -0.07 1.68 2.20 -1.26 -2.51 119.74 119.84 2b99 s LYS 4 Ca 0.27 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 2b99 s LYS 4 Cb -0.14 -1.40 -0.02 0.00 -1.51 0.00 0.00 37.83 34.75 2b99 s LYS 4 CO 0.15 0.16 -0.16 0.08 -0.36 0.00 0.00 175.35 175.22 2b99 s VAL 5 N 0.23 2.82 -0.11 4.02 1.01 -0.36 -0.35 120.40 127.67 2b99 s VAL 5 Ca -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2b99 s VAL 5 Cb -0.12 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2b99 s VAL 5 CO 0.02 0.57 0.05 -0.83 0.00 0.00 0.00 175.10 174.91 2b99 s GLY 6 N -0.30 1.95 -0.19 4.51 0.00 -0.07 -2.14 107.32 111.08 2b99 s GLY 6 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2b99 s GLY 6 CO 0.03 -0.41 -0.12 -0.42 0.00 0.00 0.00 173.10 172.17 2b99 s ILE 7 N -0.72 1.68 -0.17 0.90 1.01 -0.11 -0.14 121.20 123.66 2b99 s ILE 7 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2b99 s ILE 7 Cb -0.12 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2b99 s ILE 7 CO 0.02 0.26 -0.15 -0.69 0.00 0.00 0.00 174.94 174.39 2b99 s VAL 8 N 1.40 2.56 0.10 2.92 1.01 -0.16 -1.80 120.40 126.43 2b99 s VAL 8 Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2b99 s VAL 8 Cb -0.15 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 2b99 s VAL 8 CO -0.09 0.51 0.03 -0.90 0.00 0.00 0.00 175.10 174.65 2b99 n ASP 9 N 4.33 1.32 -4.27 3.32 3.85 -0.87 -0.48 116.55 123.74 2b99 n ASP 9 Ca -0.19 -1.52 -0.15 0.00 -0.71 0.00 0.00 54.79 52.22 2b99 n ASP 9 Cb 0.51 0.21 -0.10 0.00 -1.35 0.00 0.00 41.12 40.39 2b99 n ASP 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2b99 s THR 10 N -1.79 0.83 -0.57 2.12 -4.23 -1.25 -1.46 115.64 109.30 2b99 s THR 10 Ca 0.04 -2.01 0.24 0.00 -1.18 0.00 0.00 61.69 58.78 2b99 s THR 10 Cb 0.00 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.69 2b99 s THR 10 CO 0.03 -0.44 1.25 0.71 -0.54 0.00 0.00 174.62 175.63 2b99 h THR 11 N 2.62 0.00 -0.07 3.99 1.35 -0.90 -3.34 112.91 116.57 2b99 h THR 11 Ca -0.37 -0.58 -0.23 0.00 -0.55 0.00 0.00 66.41 64.68 2b99 h THR 11 Cb 1.21 1.12 0.01 0.00 -1.73 0.00 0.00 68.15 68.76 2b99 h THR 11 CO 0.63 0.00 -0.88 0.15 -0.25 0.00 0.00 175.52 175.17 2b99 h PHE 12 N 0.00 0.89 -3.00 4.73 3.57 -1.51 -3.45 116.94 118.18 2b99 h PHE 12 Ca 0.00 -0.44 -0.58 0.00 3.53 0.00 0.00 57.97 60.48 2b99 h PHE 12 Cb 0.79 -0.12 0.11 0.00 2.79 0.00 0.00 35.95 39.52 2b99 h PHE 12 CO 0.00 1.26 0.40 0.00 -2.23 0.00 0.00 178.31 177.73 2b99 n ALA 13 N -2.59 0.79 0.86 2.41 0.00 -1.26 -4.88 120.51 115.84 2b99 n ALA 13 Ca -0.08 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.84 2b99 n ALA 13 Cb 0.80 -2.18 0.30 0.00 0.00 0.00 0.00 19.45 18.36 2b99 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b99 n ARG 14 N 0.72 2.00 -3.93 0.00 1.74 -1.26 -4.85 116.66 111.09 2b99 n ARG 14 Ca 0.07 -1.52 -0.13 0.00 -0.77 0.00 0.00 57.85 55.49 2b99 n ARG 14 Cb 0.34 -1.42 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 2b99 n ARG 14 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2b99 s VAL 15 N -1.64 0.10 -0.66 1.55 1.01 -1.26 -5.02 120.40 114.47 2b99 s VAL 15 Ca 0.34 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 2b99 s VAL 15 Cb 0.19 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.51 2b99 s VAL 15 CO 0.27 0.04 1.07 -0.62 0.00 0.00 0.00 175.10 175.85 2b99 s ASP 16 N 0.11 6.21 0.10 3.32 3.68 -1.26 -4.85 116.67 123.98 2b99 s ASP 16 Ca -0.01 -0.66 0.22 0.00 2.13 0.00 0.00 52.55 54.24 2b99 s ASP 16 Cb -0.02 -2.47 -0.15 0.00 -1.45 0.00 0.00 42.92 38.82 2b99 s ASP 16 CO -0.00 -1.52 0.79 0.23 0.13 0.00 0.00 175.17 174.79 2b99 n MET 17 N 8.20 0.63 -0.15 4.34 2.81 -1.26 -4.45 117.12 127.24 2b99 n MET 17 Ca -0.00 -0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.77 2b99 n MET 17 Cb 0.47 -1.69 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 2b99 n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b99 h ALA 18 N 2.01 0.56 -0.46 3.04 0.00 -1.98 -2.97 119.26 119.45 2b99 h ALA 18 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2b99 h ALA 18 Cb 1.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2b99 h ALA 18 CO 0.00 0.22 0.16 0.77 0.00 0.00 0.00 179.25 180.40 2b99 h SER 19 N 0.54 0.17 -0.79 0.00 0.02 -2.00 -0.59 113.55 110.91 2b99 h SER 19 Ca 0.13 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2b99 h SER 19 Cb 0.29 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2b99 h SER 19 CO -0.00 0.13 0.33 0.40 -1.14 0.00 0.00 176.83 176.55 2b99 h ILE 20 N 0.33 1.26 0.12 3.27 1.08 -1.81 -1.61 117.51 120.16 2b99 h ILE 20 Ca 0.22 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2b99 h ILE 20 Cb 0.22 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2b99 h ILE 20 CO -0.22 0.33 -0.06 0.00 -0.69 0.00 0.00 178.15 177.51 2b99 h ALA 21 N 1.21 -0.17 -0.50 1.87 0.00 -1.27 -2.33 119.26 118.08 2b99 h ALA 21 Ca 0.27 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2b99 h ALA 21 Cb 0.19 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2b99 h ALA 21 CO -0.02 -0.42 0.18 0.82 0.00 0.00 0.00 179.25 179.80 2b99 h ILE 22 N -0.50 0.83 -0.86 0.00 2.04 -1.03 -0.98 117.51 117.00 2b99 h ILE 22 Ca -0.02 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2b99 h ILE 22 Cb 0.40 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2b99 h ILE 22 CO 0.03 0.06 0.53 0.50 0.00 0.00 0.00 178.15 179.27 2b99 h LYS 23 N 0.35 1.16 -0.50 2.37 3.64 -1.30 -1.16 116.57 121.13 2b99 h LYS 23 Ca 0.24 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2b99 h LYS 23 Cb 0.26 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2b99 h LYS 23 CO -0.25 0.80 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.40 2b99 h LYS 24 N 1.18 0.95 -0.13 1.90 1.63 -0.73 -2.00 116.57 119.36 2b99 h LYS 24 Ca 0.31 -0.36 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2b99 h LYS 24 Cb -0.07 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 2b99 h LYS 24 CO -0.06 1.02 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.88 2b99 h LEU 25 N 0.81 0.25 -2.06 5.20 3.38 -0.74 -1.76 115.31 120.38 2b99 h LEU 25 Ca 0.13 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2b99 h LEU 25 Cb 0.67 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2b99 h LEU 25 CO 0.05 0.52 -0.07 0.11 0.09 0.00 0.00 178.44 179.15 2b99 h LYS 26 N -0.04 0.00 0.10 1.13 1.57 -1.23 0.47 116.57 118.58 2b99 h LYS 26 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2b99 h LYS 26 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2b99 h LYS 26 CO 0.01 0.07 -0.05 1.49 -0.57 0.00 0.00 179.45 180.40 2b99 h GLU 27 N 0.00 -0.13 0.00 3.15 4.81 -1.05 -1.45 114.58 119.91 2b99 h GLU 27 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2b99 h GLU 27 Cb 0.14 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2b99 h GLU 27 CO 0.01 0.28 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.11 2b99 h LEU 28 N -0.59 0.00 -5.74 1.64 3.38 -0.74 -3.39 115.31 109.88 2b99 h LEU 28 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.61 2b99 h LEU 28 Cb 0.47 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.96 2b99 h LEU 28 CO 0.02 0.39 -0.70 -0.55 0.09 0.00 0.00 178.44 177.69 2b99 s SER 29 N -6.42 -0.03 0.65 -0.43 0.15 0.16 -4.99 113.70 102.79 2b99 s SER 29 Ca 0.01 -2.18 0.31 0.00 0.70 0.00 0.00 55.95 54.79 2b99 s SER 29 Cb 0.10 0.85 1.69 0.00 -1.71 0.00 0.00 66.02 66.95 2b99 s SER 29 CO 0.69 -0.13 1.97 -0.65 1.20 0.00 0.00 173.24 176.33 2b99 h PRO 30 N 5.60 0.00 -0.34 5.44 0.11 -1.45 0.36 132.00 141.72 2b99 h PRO 30 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2b99 h PRO 30 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2b99 h PRO 30 CO 0.17 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.25 2b99 n ASN 31 N -3.07 1.88 -4.73 -2.05 5.15 -1.26 -4.89 115.26 106.29 2b99 n ASN 31 Ca -0.01 -1.98 -0.41 0.00 -0.60 0.00 0.00 54.58 51.59 2b99 n ASN 31 Cb 0.38 -0.23 -0.04 0.00 -0.53 0.00 0.00 39.78 39.36 2b99 n ASN 31 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2b99 s ILE 32 N -1.54 4.30 -0.05 -1.44 1.10 0.13 -4.67 121.20 119.02 2b99 s ILE 32 Ca 0.24 1.90 -0.13 0.00 -0.51 0.00 0.00 60.65 62.15 2b99 s ILE 32 Cb 0.13 -4.22 -0.05 0.00 0.15 0.00 0.00 42.46 38.47 2b99 s ILE 32 CO 0.17 0.29 0.35 -0.54 -2.11 0.00 0.00 174.94 173.09 2b99 s LYS 33 N -0.01 3.91 -0.03 3.50 1.02 -1.05 -4.95 119.74 122.14 2b99 s LYS 33 Ca 0.49 0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2b99 s LYS 33 Cb -0.25 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 2b99 s LYS 33 CO 0.31 0.60 -0.08 0.42 -0.92 0.00 0.00 175.35 175.68 2b99 s ILE 34 N -0.71 0.72 -0.10 2.17 1.01 -1.26 -1.22 121.20 121.81 2b99 s ILE 34 Ca 0.21 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2b99 s ILE 34 Cb -0.15 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2b99 s ILE 34 CO 0.10 0.23 -0.11 -0.51 0.00 0.00 0.00 174.94 174.66 2b99 s ILE 35 N 0.28 1.15 0.17 2.92 2.07 -0.91 -5.01 121.20 121.87 2b99 s ILE 35 Ca -0.04 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.82 2b99 s ILE 35 Cb -0.09 -1.10 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 2b99 s ILE 35 CO 0.00 0.38 0.20 -0.13 -1.91 0.00 0.00 174.94 173.49 2b99 s ARG 36 N 1.22 3.13 -0.23 3.50 0.52 -1.26 -0.93 118.95 124.90 2b99 s ARG 36 Ca -0.04 -0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 2b99 s ARG 36 Cb -0.14 -2.77 0.07 0.00 0.52 0.00 0.00 34.95 32.63 2b99 s ARG 36 CO -0.03 0.49 0.55 0.21 0.02 0.00 0.00 175.30 176.54 2b99 s LYS 37 N -3.23 0.54 -0.10 3.54 2.20 -0.74 -4.95 119.74 117.00 2b99 s LYS 37 Ca 0.33 1.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.96 2b99 s LYS 37 Cb -0.10 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2b99 s LYS 37 CO 0.26 -0.16 -0.11 0.99 -0.36 0.00 0.00 175.35 175.96 2b99 s THR 38 N 1.60 3.25 0.38 3.43 2.01 -1.26 -2.04 115.64 123.02 2b99 s THR 38 Ca -0.09 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2b99 s THR 38 Cb -0.07 -2.35 -0.07 0.00 0.01 0.00 0.00 72.50 70.02 2b99 s THR 38 CO -0.16 0.55 0.00 0.68 -0.69 0.00 0.00 174.62 175.00 2b99 s VAL 39 N -0.10 1.86 0.11 3.82 -7.23 -0.53 -4.98 120.40 113.35 2b99 s VAL 39 Ca -0.01 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 57.83 2b99 s VAL 39 Cb -0.14 -2.90 -0.11 0.00 0.56 0.00 0.00 36.38 33.79 2b99 s VAL 39 CO 0.03 -0.03 1.60 -0.65 -0.31 0.00 0.00 175.10 175.74 2b99 h PRO 40 N 1.88 -0.64 0.00 4.82 0.11 -1.94 -2.06 132.00 134.16 2b99 h PRO 40 Ca -0.43 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2b99 h PRO 40 Cb 1.24 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.50 2b99 h PRO 40 CO 0.77 -0.43 0.01 0.41 -0.21 0.00 0.00 178.00 178.55 2b99 n GLY 41 N -1.46 2.45 0.34 -0.55 0.00 -1.26 -1.45 105.19 103.27 2b99 n GLY 41 Ca -0.08 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 2b99 n GLY 41 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2b99 n ILE 42 N -0.05 -0.48 0.90 -0.61 2.08 -1.26 -0.51 119.36 119.44 2b99 n ILE 42 Ca -0.00 2.09 0.09 0.00 0.56 0.00 0.00 62.75 65.49 2b99 n ILE 42 Cb 0.05 -2.75 0.47 0.00 -0.75 0.00 0.00 39.64 36.66 2b99 n ILE 42 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2b99 n LYS 43 N -5.30 0.30 0.00 0.38 5.02 -1.26 -2.43 118.16 114.87 2b99 n LYS 43 Ca 0.09 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 2b99 n LYS 43 Cb 0.35 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.91 2b99 n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2b99 n ASP 44 N -1.25 1.50 -0.04 4.39 10.43 0.34 -4.51 116.55 127.41 2b99 n ASP 44 Ca 0.09 -1.20 -0.12 0.00 2.57 0.00 0.00 54.79 56.14 2b99 n ASP 44 Cb 0.14 0.53 -0.07 0.00 1.84 0.00 0.00 41.12 43.56 2b99 n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2b99 h LEU 45 N 1.47 0.24 -0.52 0.64 3.38 -1.46 -3.28 115.31 115.78 2b99 h LEU 45 Ca 0.00 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.68 2b99 h LEU 45 Cb 0.63 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2b99 h LEU 45 CO 0.00 0.55 -0.50 -0.65 0.09 0.00 0.00 178.44 177.93 2b99 h PRO 46 N -0.07 -0.29 0.00 1.13 0.11 -1.79 0.25 132.00 131.35 2b99 h PRO 46 Ca 0.03 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 2b99 h PRO 46 Cb 0.44 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2b99 h PRO 46 CO 0.01 -0.19 -0.37 0.28 -0.21 0.00 0.00 178.00 177.52 2b99 h VAL 47 N -0.30 1.23 -0.34 3.15 2.07 -1.89 0.23 116.25 120.40 2b99 h VAL 47 Ca 0.13 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.22 2b99 h VAL 47 Cb 0.57 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2b99 h VAL 47 CO -0.65 0.36 -0.42 0.00 0.02 0.00 0.00 177.57 176.88 2b99 h ALA 48 N 1.63 0.51 -0.51 1.67 0.00 -1.40 -0.06 119.26 121.10 2b99 h ALA 48 Ca -0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2b99 h ALA 48 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2b99 h ALA 48 CO 0.05 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.98 2b99 h LYS 50 N 0.75 0.82 -0.66 0.00 3.64 -0.76 -1.68 116.57 118.67 2b99 h LYS 50 Ca 0.15 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2b99 h LYS 50 Cb 0.45 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2b99 h LYS 50 CO 0.02 0.77 0.31 0.87 -2.27 0.00 0.00 179.45 179.15 2b99 h LYS 51 N 0.71 0.94 -0.29 1.90 1.57 -0.95 -0.59 116.57 119.87 2b99 h LYS 51 Ca 0.16 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2b99 h LYS 51 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2b99 h LYS 51 CO -0.00 0.73 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.52 2b99 h LEU 52 N 0.93 0.51 -0.77 2.94 4.07 -1.10 0.84 115.31 122.74 2b99 h LEU 52 Ca 0.23 -0.33 -0.07 0.00 0.08 0.00 0.00 57.88 57.80 2b99 h LEU 52 Cb 0.11 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 2b99 h LEU 52 CO -0.03 0.72 0.17 -0.07 -1.08 0.00 0.00 178.44 178.15 2b99 h LEU 53 N 0.30 1.04 0.00 1.67 3.38 -0.90 -2.14 115.31 118.66 2b99 h LEU 53 Ca 0.08 -0.22 -0.28 0.00 0.09 0.00 0.00 57.88 57.55 2b99 h LEU 53 Cb 0.47 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2b99 h LEU 53 CO 0.02 1.00 -2.00 -0.62 0.09 0.00 0.00 178.44 176.92 2b99 n GLU 54 N -4.24 0.66 -0.00 1.13 1.02 -0.26 -3.96 120.64 114.98 2b99 n GLU 54 Ca 0.05 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 2b99 n GLU 54 Cb 0.26 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 2b99 n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b99 n GLU 55 N -2.80 1.39 -0.04 3.49 1.02 0.29 -4.60 120.64 119.39 2b99 n GLU 55 Ca -0.22 -0.07 0.01 0.00 -0.02 0.00 0.00 57.16 56.87 2b99 n GLU 55 Cb 1.02 -1.20 0.04 0.00 -0.02 0.00 0.00 31.44 31.27 2b99 n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b99 n GLU 56 N -1.68 2.40 -1.33 3.49 -0.58 -0.83 -5.00 120.64 117.11 2b99 n GLU 56 Ca -0.01 -1.49 -0.11 0.00 -0.42 0.00 0.00 57.16 55.13 2b99 n GLU 56 Cb 0.26 -1.07 -0.05 0.00 -0.57 0.00 0.00 31.44 30.02 2b99 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b99 n GLY 57 N -0.17 1.26 3.75 0.62 0.00 -1.16 -4.98 105.19 104.51 2b99 n GLY 57 Ca 0.03 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2b99 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b99 h ASP 59 N 4.31 0.00 -5.03 0.00 5.19 -1.02 -3.42 116.42 116.45 2b99 h ASP 59 Ca -0.47 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 2b99 h ASP 59 Cb 1.22 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.59 2b99 h ASP 59 CO 0.71 0.74 0.05 -0.51 -3.12 0.00 0.00 179.24 177.11 2b99 s ILE 60 N -2.83 0.04 0.03 0.35 2.07 -1.19 -4.51 121.20 115.15 2b99 s ILE 60 Ca 0.01 -0.29 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 2b99 s ILE 60 Cb 0.09 -1.05 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 2b99 s ILE 60 CO 0.79 -0.16 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.89 2b99 s VAL 61 N -3.28 0.54 -0.16 4.00 1.01 -1.03 -0.89 120.40 120.59 2b99 s VAL 61 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2b99 s VAL 61 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2b99 s VAL 61 CO -0.08 -0.21 -0.06 -0.04 0.00 0.00 0.00 175.10 174.71 2b99 s MET 62 N -1.11 3.56 -0.24 2.72 -1.94 0.81 -0.48 119.30 122.62 2b99 s MET 62 Ca -0.06 -0.58 -0.05 0.00 -1.71 0.00 0.00 55.69 53.29 2b99 s MET 62 Cb -0.07 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 2b99 s MET 62 CO 0.00 0.19 0.01 0.00 -0.01 0.00 0.00 175.02 175.21 2b99 s ALA 63 N 0.48 2.96 -0.21 3.03 0.00 -0.42 -0.99 121.76 126.60 2b99 s ALA 63 Ca -0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 2b99 s ALA 63 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 2b99 s ALA 63 CO 0.03 -0.49 -0.04 -0.51 0.00 0.00 0.00 175.76 174.76 2b99 s LEU 64 N 1.53 2.97 0.11 0.00 1.43 0.36 0.36 118.68 125.45 2b99 s LEU 64 Ca 0.06 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2b99 s LEU 64 Cb -0.15 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2b99 s LEU 64 CO -0.00 0.01 0.27 -0.83 0.23 0.00 0.00 176.35 176.03 2b99 s GLY 65 N 1.30 0.04 -0.29 -3.19 0.00 -0.46 -3.83 107.32 100.89 2b99 s GLY 65 Ca 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 44.72 44.26 2b99 s GLY 65 CO -0.01 -0.65 0.10 -0.29 0.00 0.00 0.00 173.10 172.24 2b99 s MET 66 N -3.86 0.58 0.54 2.90 0.00 -1.26 -1.76 119.30 116.44 2b99 s MET 66 Ca 0.06 -0.88 -0.20 0.00 0.00 0.00 0.00 55.69 54.67 2b99 s MET 66 Cb 0.04 -1.80 -0.06 0.00 0.00 0.00 0.00 34.83 33.01 2b99 s MET 66 CO -0.10 -0.96 1.15 -2.14 0.00 0.00 0.00 175.02 172.97 2b99 s PRO 67 N 1.76 3.35 0.66 4.11 0.02 -1.24 -4.70 135.00 138.95 2b99 s PRO 67 Ca 0.09 1.66 -0.10 0.00 0.02 0.00 0.00 61.00 62.67 2b99 s PRO 67 Cb -0.17 -2.04 0.15 0.00 0.02 0.00 0.00 34.50 32.46 2b99 s PRO 67 CO -0.27 -0.86 0.89 0.41 -0.33 0.00 0.00 177.00 176.85 2b99 n GLY 68 N 0.24 -1.12 0.14 0.52 0.00 -1.26 -3.41 105.19 100.30 2b99 n GLY 68 Ca 0.11 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2b99 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b99 h LYS 69 N 0.00 0.29 -6.57 1.61 6.56 -1.96 -3.42 116.57 113.08 2b99 h LYS 69 Ca -0.29 -0.33 -0.55 0.00 -1.06 0.00 0.00 60.65 58.41 2b99 h LYS 69 Cb 0.83 0.10 0.20 0.00 -0.57 0.00 0.00 32.23 32.79 2b99 h LYS 69 CO 0.22 1.05 -0.67 0.00 -2.06 0.00 0.00 179.45 177.98 2b99 n ALA 70 N -2.50 -2.41 0.40 3.86 0.00 -1.26 -4.84 120.51 113.76 2b99 n ALA 70 Ca -0.05 -0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.13 2b99 n ALA 70 Cb 0.84 -1.72 0.47 0.00 0.00 0.00 0.00 19.45 19.04 2b99 n ALA 70 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2b99 h GLU 71 N -0.77 0.00 0.40 0.00 4.11 -2.00 -2.86 114.58 113.46 2b99 h GLU 71 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 2b99 h GLU 71 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2b99 h GLU 71 CO 0.38 0.00 -0.19 0.87 0.07 0.00 0.00 179.01 180.13 2b99 h LYS 72 N 0.00 -0.52 -1.25 1.06 1.57 -1.95 -2.83 116.57 112.64 2b99 h LYS 72 Ca 0.00 0.04 0.36 0.00 -1.87 0.00 0.00 60.65 59.18 2b99 h LYS 72 Cb 0.60 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 2b99 h LYS 72 CO 0.00 -0.22 0.96 -0.44 -0.57 0.00 0.00 179.45 179.18 2b99 h ASP 73 N -0.99 0.00 0.18 0.86 3.45 -1.80 2.05 116.42 120.17 2b99 h ASP 73 Ca -0.06 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.26 2b99 h ASP 73 Cb 0.54 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 2b99 h ASP 73 CO 0.09 0.00 -0.55 0.11 -1.57 0.00 0.00 179.24 177.32 2b99 h LYS 74 N 0.00 0.40 -0.12 3.56 1.57 -1.35 -0.62 116.57 120.01 2b99 h LYS 74 Ca 0.60 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 59.08 2b99 h LYS 74 Cb 2.52 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 34.85 2b99 h LYS 74 CO -0.01 0.84 -0.12 0.28 -0.57 0.00 0.00 179.45 179.87 2b99 h VAL 75 N 0.30 1.36 -0.72 0.50 2.07 0.34 -1.73 116.25 118.37 2b99 h VAL 75 Ca 0.00 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.27 2b99 h VAL 75 Cb 1.06 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 2b99 h VAL 75 CO 0.09 0.37 0.45 0.00 0.02 0.00 0.00 177.57 178.50 2b99 h ALA 77 N 1.32 -0.17 -0.87 0.00 0.00 -1.06 0.15 119.26 118.63 2b99 h ALA 77 Ca 0.30 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2b99 h ALA 77 Cb 0.05 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2b99 h ALA 77 CO -0.12 -0.62 0.50 1.25 0.00 0.00 0.00 179.25 180.26 2b99 h HIS 78 N -0.21 0.90 -0.45 0.00 6.17 -0.71 0.31 115.15 121.16 2b99 h HIS 78 Ca 0.02 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 60.99 2b99 h HIS 78 Cb 0.23 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 2b99 h HIS 78 CO -0.14 0.34 -0.26 0.93 0.71 0.00 0.00 177.93 179.50 2b99 h GLU 79 N 0.80 0.96 -0.38 5.26 5.08 -0.49 -1.64 114.58 124.17 2b99 h GLU 79 Ca 0.43 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2b99 h GLU 79 Cb 0.44 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2b99 h GLU 79 CO -0.27 1.10 0.12 0.00 -1.00 0.00 0.00 179.01 178.97 2b99 h ALA 80 N 0.87 0.50 -0.64 3.43 0.00 0.60 -2.01 119.26 122.02 2b99 h ALA 80 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2b99 h ALA 80 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2b99 h ALA 80 CO 0.07 0.14 0.31 0.77 0.00 0.00 0.00 179.25 180.55 2b99 h SER 81 N 0.47 0.80 -0.78 0.00 0.02 -0.30 -1.27 113.55 112.49 2b99 h SER 81 Ca 0.12 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2b99 h SER 81 Cb 0.25 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2b99 h SER 81 CO -0.00 0.68 0.29 -0.07 -1.14 0.00 0.00 176.83 176.58 2b99 h LEU 82 N 0.89 1.10 -0.77 5.07 3.38 -1.00 -0.72 115.31 123.25 2b99 h LEU 82 Ca 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2b99 h LEU 82 Cb 0.08 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2b99 h LEU 82 CO -0.03 0.99 0.35 1.23 0.09 0.00 0.00 178.44 181.07 2b99 h GLY 83 N 1.15 1.21 1.20 0.83 0.00 -0.58 -1.55 103.07 105.34 2b99 h GLY 83 Ca 0.26 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2b99 h GLY 83 CO -0.02 0.59 0.10 1.41 0.00 0.00 0.00 176.54 178.63 2b99 h LEU 84 N 1.10 0.93 -0.39 3.11 3.38 -0.74 -0.62 115.31 122.08 2b99 h LEU 84 Ca 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2b99 h LEU 84 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2b99 h LEU 84 CO -0.03 0.93 0.18 -0.03 0.09 0.00 0.00 178.44 179.58 2b99 h MET 85 N 0.93 0.56 -0.42 1.13 4.05 -0.73 -2.69 114.93 117.75 2b99 h MET 85 Ca 0.19 -0.09 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 2b99 h MET 85 Cb 0.40 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2b99 h MET 85 CO 0.01 0.51 -0.17 -0.07 0.23 0.00 0.00 176.91 177.42 2b99 h LEU 86 N 0.48 0.80 -0.90 3.39 3.38 -1.03 -2.46 115.31 118.97 2b99 h LEU 86 Ca 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2b99 h LEU 86 Cb 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2b99 h LEU 86 CO -0.01 0.96 0.53 0.00 0.09 0.00 0.00 178.44 180.00 2b99 h ALA 87 N 1.10 1.16 -0.19 1.53 0.00 -0.96 -1.37 119.26 120.54 2b99 h ALA 87 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2b99 h ALA 87 Cb 0.67 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2b99 h ALA 87 CO 0.05 0.63 0.03 1.96 0.00 0.00 0.00 179.25 181.92 2b99 h GLN 88 N 1.25 0.31 0.00 0.00 4.20 -1.32 -2.41 115.11 117.15 2b99 h GLN 88 Ca 0.32 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2b99 h GLN 88 Cb -0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2b99 h GLN 88 CO -0.06 0.48 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.31 2b99 h LEU 89 N 0.10 0.00 0.00 1.46 3.38 -1.17 0.50 115.31 119.59 2b99 h LEU 89 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2b99 h LEU 89 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2b99 h LEU 89 CO 0.00 0.20 -0.12 0.23 0.09 0.00 0.00 178.44 178.85 2b99 n MET 90 N -4.13 0.28 -0.00 1.13 2.81 -0.54 -3.96 117.12 112.71 2b99 n MET 90 Ca -0.02 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2b99 n MET 90 Cb 0.27 -1.80 -0.01 0.00 -0.71 0.00 0.00 33.22 30.98 2b99 n MET 90 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2b99 n THR 91 N -2.27 0.00 -2.86 2.03 -2.24 -0.91 -5.01 114.28 103.03 2b99 n THR 91 Ca 0.05 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 2b99 n THR 91 Cb 0.44 0.85 0.03 0.00 -2.10 0.00 0.00 70.33 69.55 2b99 n THR 91 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2b99 n ASN 92 N -1.16 -5.91 -4.05 3.42 5.03 0.17 -4.99 115.26 107.77 2b99 n ASN 92 Ca 0.00 -0.22 -0.18 0.00 0.87 0.00 0.00 54.58 55.05 2b99 n ASN 92 Cb 0.02 -4.76 -0.14 0.00 -1.02 0.00 0.00 39.78 33.87 2b99 n ASN 92 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2b99 s LYS 93 N -5.52 0.70 0.34 3.52 1.02 -1.17 -5.07 119.74 113.57 2b99 s LYS 93 Ca 0.23 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.47 2b99 s LYS 93 Cb -0.10 -0.65 -0.09 0.00 -0.52 0.00 0.00 37.83 36.46 2b99 s LYS 93 CO 0.29 0.17 1.08 -1.01 -0.92 0.00 0.00 175.35 174.96 2b99 s HIS 94 N -0.55 3.41 -0.23 3.18 3.76 -1.26 -4.39 115.29 119.20 2b99 s HIS 94 Ca 0.01 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 2b99 s HIS 94 Cb -0.05 -3.22 0.06 0.00 1.11 0.00 0.00 32.58 30.47 2b99 s HIS 94 CO 0.00 -0.64 -0.03 0.42 -0.85 0.00 0.00 174.74 173.65 2b99 s ILE 95 N -1.39 1.32 -0.46 0.60 1.01 -1.26 -2.46 121.20 118.55 2b99 s ILE 95 Ca 0.51 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2b99 s ILE 95 Cb -0.28 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.56 2b99 s ILE 95 CO 0.35 -0.16 1.14 -0.63 0.00 0.00 0.00 174.94 175.63 2b99 s ILE 96 N 1.49 4.23 -0.23 2.92 -1.09 0.37 -4.91 121.20 123.98 2b99 s ILE 96 Ca -0.04 1.28 -0.28 0.00 -2.23 0.00 0.00 60.65 59.38 2b99 s ILE 96 Cb -0.18 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 2b99 s ILE 96 CO -0.07 -0.95 0.98 -0.70 -1.23 0.00 0.00 174.94 172.96 2b99 s GLU 97 N 4.38 4.25 -0.63 2.79 2.12 -1.26 -1.30 118.70 129.04 2b99 s GLU 97 Ca 0.48 1.25 0.04 0.00 0.36 0.00 0.00 54.97 57.10 2b99 s GLU 97 Cb -0.08 -3.63 0.15 0.00 0.26 0.00 0.00 34.13 30.83 2b99 s GLU 97 CO 0.30 -0.58 0.41 0.08 -0.54 0.00 0.00 175.26 174.93 2b99 s VAL 98 N 3.02 2.83 -0.04 3.70 1.01 0.16 -4.95 120.40 126.13 2b99 s VAL 98 Ca 0.42 -3.87 -0.01 0.00 0.00 0.00 0.00 61.98 58.52 2b99 s VAL 98 Cb -0.15 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2b99 s VAL 98 CO 0.07 -0.92 0.02 -0.36 0.00 0.00 0.00 175.10 173.91 2b99 s PHE 99 N -0.97 3.18 -0.18 5.22 2.99 -1.26 -1.35 117.98 125.61 2b99 s PHE 99 Ca 0.22 0.17 -0.03 0.00 0.00 0.00 0.00 56.93 57.29 2b99 s PHE 99 Cb -0.13 -1.75 0.06 0.00 0.00 0.00 0.00 43.02 41.20 2b99 s PHE 99 CO -0.10 0.49 0.04 0.08 -0.00 0.00 0.00 175.22 175.74 2b99 s VAL 100 N -1.02 0.42 0.21 -0.44 1.01 -0.72 -4.98 120.40 114.88 2b99 s VAL 100 Ca 0.17 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2b99 s VAL 100 Cb -0.12 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 2b99 s VAL 100 CO 0.07 -0.18 0.91 -1.00 0.00 0.00 0.00 175.10 174.91 2b99 s HIS 101 N 1.91 3.96 0.50 5.22 3.76 -1.26 -3.62 115.29 125.75 2b99 s HIS 101 Ca -0.00 1.86 0.20 0.00 -0.15 0.00 0.00 55.06 56.96 2b99 s HIS 101 Cb -0.17 -2.95 1.31 0.00 1.11 0.00 0.00 32.58 31.89 2b99 s HIS 101 CO -0.08 0.44 2.11 0.93 -0.85 0.00 0.00 174.74 177.29 2b99 h GLU 102 N 4.34 0.00 0.00 1.40 5.08 -1.83 -1.95 114.58 121.62 2b99 h GLU 102 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2b99 h GLU 102 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2b99 h GLU 102 CO 0.68 0.08 0.06 -0.44 -1.00 0.00 0.00 179.01 178.38 2b99 h ASP 103 N 0.00 0.00 1.23 1.42 3.45 -1.89 -2.22 116.42 118.41 2b99 h ASP 103 Ca -0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 2b99 h ASP 103 Cb 0.15 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 2b99 h ASP 103 CO 0.01 0.00 -0.73 -0.33 -1.57 0.00 0.00 179.24 176.62 2b99 h GLU 104 N 0.00 0.00 -6.31 3.56 5.08 -1.75 -3.46 114.58 111.70 2b99 h GLU 104 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2b99 h GLU 104 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2b99 h GLU 104 CO 0.00 0.73 -0.31 0.00 -1.00 0.00 0.00 179.01 178.43 2b99 s ALA 105 N -2.87 3.81 -2.56 3.43 0.00 -0.84 -4.99 121.76 117.74 2b99 s ALA 105 Ca 0.02 -0.94 0.25 0.00 0.00 0.00 0.00 51.96 51.30 2b99 s ALA 105 Cb 0.09 -1.98 0.46 0.00 0.00 0.00 0.00 23.12 21.69 2b99 s ALA 105 CO 0.78 0.25 1.40 1.63 0.00 0.00 0.00 175.76 179.81 2b99 n LYS 106 N -1.18 1.79 -3.95 0.00 5.02 -1.26 -4.95 118.16 113.62 2b99 n LYS 106 Ca -0.06 -1.34 0.05 0.00 -2.02 0.00 0.00 58.31 54.94 2b99 n LYS 106 Cb 0.55 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.10 2b99 n LYS 106 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2b99 s ASP 107 N -2.14 -0.00 0.16 4.39 3.84 -1.26 -5.03 116.67 116.63 2b99 s ASP 107 Ca 0.29 -0.00 -0.14 0.00 -0.00 0.00 0.00 52.55 52.69 2b99 s ASP 107 Cb 0.20 0.00 0.04 0.00 -1.38 0.00 0.00 42.92 41.79 2b99 s ASP 107 CO 0.38 -0.00 1.78 0.44 -0.00 0.00 0.00 175.17 177.76 2b99 h ASP 108 N 2.00 0.61 -0.11 2.11 5.19 -1.98 -0.25 116.42 124.00 2b99 h ASP 108 Ca -0.22 -0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.15 2b99 h ASP 108 Cb 1.17 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 2b99 h ASP 108 CO 0.29 0.52 -0.17 0.50 -3.12 0.00 0.00 179.24 177.26 2b99 h LYS 109 N 0.66 -0.22 -0.40 3.56 3.64 -2.00 0.09 116.57 121.92 2b99 h LYS 109 Ca 0.18 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2b99 h LYS 109 Cb 0.03 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2b99 h LYS 109 CO -0.03 -0.15 -0.10 1.49 -2.27 0.00 0.00 179.45 178.39 2b99 h GLU 110 N -0.23 0.69 -0.44 1.90 4.81 -1.93 -2.20 114.58 117.19 2b99 h GLU 110 Ca 0.09 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2b99 h GLU 110 Cb 0.35 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2b99 h GLU 110 CO -0.24 0.78 0.20 1.25 -0.73 0.00 0.00 179.01 180.26 2b99 h LEU 111 N 0.63 0.58 -0.54 1.64 5.85 -0.43 0.24 115.31 123.28 2b99 h LEU 111 Ca 0.11 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2b99 h LEU 111 Cb 0.54 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2b99 h LEU 111 CO 0.03 0.56 0.22 -0.78 -0.34 0.00 0.00 178.44 178.14 2b99 h ASP 112 N 0.56 0.74 0.03 1.25 1.82 -0.84 -1.08 116.42 118.91 2b99 h ASP 112 Ca 0.15 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2b99 h ASP 112 Cb 0.14 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.96 2b99 h ASP 112 CO -0.02 0.70 -0.02 -0.25 -1.61 0.00 0.00 179.24 178.05 2b99 h TRP 113 N 0.73 -0.04 -0.40 0.28 7.01 -1.08 -2.59 115.95 119.87 2b99 h TRP 113 Ca 0.18 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.20 2b99 h TRP 113 Cb 0.19 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 2b99 h TRP 113 CO 0.01 0.12 0.21 1.25 -2.79 0.00 0.00 178.44 177.24 2b99 h LEU 114 N -0.20 0.33 -0.23 0.65 7.12 -0.40 -0.47 115.31 122.10 2b99 h LEU 114 Ca -0.00 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 2b99 h LEU 114 Cb 0.18 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2b99 h LEU 114 CO 0.01 0.24 0.07 0.00 -0.13 0.00 0.00 178.44 178.63 2b99 h ALA 115 N 1.20 0.31 -0.64 1.25 0.00 -1.21 -0.75 119.26 119.41 2b99 h ALA 115 Ca 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2b99 h ALA 115 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2b99 h ALA 115 CO -0.10 -0.06 0.15 0.87 0.00 0.00 0.00 179.25 180.11 2b99 h LYS 116 N 0.21 1.03 -0.65 0.00 1.57 -1.35 -0.00 116.57 117.38 2b99 h LYS 116 Ca 0.08 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 2b99 h LYS 116 Cb 0.24 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2b99 h LYS 116 CO -0.00 0.93 0.10 -0.09 -0.57 0.00 0.00 179.45 179.82 2b99 h ARG 117 N 0.95 1.07 -0.33 3.15 9.65 -0.96 -0.43 114.38 127.49 2b99 h ARG 117 Ca 0.20 -0.28 -0.17 0.00 -1.10 0.00 0.00 59.98 58.63 2b99 h ARG 117 Cb 0.37 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2b99 h ARG 117 CO 0.00 0.98 -0.46 -0.09 2.80 0.00 0.00 179.97 183.21 2b99 h ARG 118 N 1.00 0.89 -0.11 0.20 2.43 -0.89 -1.46 114.38 116.45 2b99 h ARG 118 Ca 0.20 -0.52 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2b99 h ARG 118 Cb 0.44 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2b99 h ARG 118 CO 0.01 1.16 0.07 0.00 -1.51 0.00 0.00 179.97 179.70 2b99 h ALA 119 N 0.72 0.14 -0.69 2.80 0.00 -0.80 -1.61 119.26 119.81 2b99 h ALA 119 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b99 h ALA 119 Cb 1.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2b99 h ALA 119 CO 0.11 -0.35 0.43 1.49 0.00 0.00 0.00 179.25 180.93 2b99 h GLU 120 N 0.12 0.93 -0.49 0.00 4.81 -1.02 -0.96 114.58 117.97 2b99 h GLU 120 Ca 0.04 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2b99 h GLU 120 Cb 0.02 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2b99 h GLU 120 CO -0.01 0.65 0.00 0.93 -0.73 0.00 0.00 179.01 179.85 2b99 h GLU 121 N 0.94 0.82 0.00 1.92 5.08 -1.08 -1.89 114.58 120.37 2b99 h GLU 121 Ca 0.25 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2b99 h GLU 121 Cb -0.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2b99 h GLU 121 CO -0.05 0.82 -0.01 0.45 -1.00 0.00 0.00 179.01 179.22 2b99 h HIS 122 N 0.76 0.00 -0.13 4.33 3.86 -0.99 -2.33 115.15 120.66 2b99 h HIS 122 Ca 0.15 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 2b99 h HIS 122 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2b99 h HIS 122 CO 0.02 0.01 -0.34 0.00 0.86 0.00 0.00 177.93 178.48 2b99 h ALA 123 N 1.99 1.18 -0.23 2.45 0.00 -0.37 -0.79 119.26 123.49 2b99 h ALA 123 Ca -0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2b99 h ALA 123 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2b99 h ALA 123 CO 0.00 0.54 -0.49 0.93 0.00 0.00 0.00 179.25 180.23 2b99 h GLU 124 N 0.23 0.63 -0.56 0.00 5.08 -1.10 -2.29 114.58 116.57 2b99 h GLU 124 Ca 0.03 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 2b99 h GLU 124 Cb 0.72 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2b99 h GLU 124 CO 0.05 0.98 0.15 -0.91 -1.00 0.00 0.00 179.01 178.29 2b99 h ASN 125 N 0.50 0.79 -0.30 1.42 2.35 -0.99 0.54 115.58 119.88 2b99 h ASN 125 Ca 0.02 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2b99 h ASN 125 Cb 1.04 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 2b99 h ASN 125 CO 0.10 0.76 0.12 0.58 -1.65 0.00 0.00 177.43 177.34 2b99 h VAL 126 N 0.82 1.18 0.02 2.81 2.07 -0.97 -0.51 116.25 121.67 2b99 h VAL 126 Ca 0.18 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2b99 h VAL 126 Cb 0.27 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2b99 h VAL 126 CO -0.00 0.19 -0.26 0.22 0.02 0.00 0.00 177.57 177.74 2b99 h TYR 127 N 0.33 -0.71 -1.01 1.57 3.20 -0.81 -0.80 116.97 118.75 2b99 h TYR 127 Ca 0.10 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 2b99 h TYR 127 Cb 0.19 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2b99 h TYR 127 CO -0.00 -0.36 0.66 1.88 -1.64 0.00 0.00 178.16 178.70 2b99 h TYR 128 N -0.41 1.24 -0.40 -3.82 0.05 -0.73 0.11 116.97 113.01 2b99 h TYR 128 Ca 0.06 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 2b99 h TYR 128 Cb 0.49 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 2b99 h TYR 128 CO -0.29 0.73 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.47 2b99 h LEU 129 N 1.30 0.62 0.16 3.88 3.38 -0.57 0.51 115.31 124.58 2b99 h LEU 129 Ca 0.39 -0.14 -0.30 0.00 0.09 0.00 0.00 57.88 57.92 2b99 h LEU 129 Cb -0.04 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 40.58 2b99 h LEU 129 CO -0.11 0.70 -1.28 -0.07 0.09 0.00 0.00 178.44 177.77 2b99 h LEU 130 N 0.61 0.84 0.00 1.67 4.07 -0.30 -3.41 115.31 118.80 2b99 h LEU 130 Ca 0.12 -0.86 -0.00 0.00 0.08 0.00 0.00 57.88 57.22 2b99 h LEU 130 Cb 0.41 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 2b99 h LEU 130 CO 0.02 1.63 -1.01 0.49 -1.08 0.00 0.00 178.44 178.49 2b99 n PHE 131 N -3.80 0.00 -2.92 1.13 3.01 -0.06 -4.89 117.46 109.94 2b99 n PHE 131 Ca -0.15 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.09 2b99 n PHE 131 Cb 1.01 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.45 2b99 n PHE 131 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2b99 n LYS 132 N -1.96 2.29 0.13 -1.08 0.00 -0.02 -4.88 118.16 112.64 2b99 n LYS 132 Ca -0.00 -4.14 0.19 0.00 0.00 0.00 0.00 58.31 54.36 2b99 n LYS 132 Cb 0.46 -1.95 0.73 0.00 0.00 0.00 0.00 35.03 34.27 2b99 n LYS 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2b99 h PRO 133 N 2.93 0.00 -0.24 1.64 0.13 -1.26 0.15 132.00 135.34 2b99 h PRO 133 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 2b99 h PRO 133 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2b99 h PRO 133 CO 0.68 0.00 -0.26 0.93 -0.23 0.00 0.00 178.00 179.13 2b99 h GLU 134 N 0.00 0.45 0.02 0.86 5.08 -1.90 -3.12 114.58 115.98 2b99 h GLU 134 Ca 0.16 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2b99 h GLU 134 Cb 1.11 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2b99 h GLU 134 CO -0.00 0.67 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.67 2b99 h TYR 135 N 0.40 -0.24 -1.00 4.33 3.20 -1.05 -2.37 116.97 120.24 2b99 h TYR 135 Ca 0.06 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.12 2b99 h TYR 135 Cb 0.66 0.11 -0.10 0.00 1.54 0.00 0.00 36.73 38.93 2b99 h TYR 135 CO 0.02 -0.15 0.61 -0.07 -1.64 0.00 0.00 178.16 176.94 2b99 h LEU 136 N -0.18 0.77 -0.98 2.82 3.38 -1.65 0.15 115.31 119.62 2b99 h LEU 136 Ca 0.03 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2b99 h LEU 136 Cb 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2b99 h LEU 136 CO -0.08 0.28 0.04 0.74 0.09 0.00 0.00 178.44 179.52 2b99 h THR 137 N 0.76 1.23 0.00 0.22 2.02 -1.46 -1.43 112.91 114.25 2b99 h THR 137 Ca 0.57 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2b99 h THR 137 Cb 0.89 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2b99 h THR 137 CO -0.36 0.33 -0.14 -0.09 0.37 0.00 0.00 175.52 175.63 2b99 h ARG 138 N 0.74 0.00 -0.69 6.66 2.43 -0.25 -1.08 114.38 122.19 2b99 h ARG 138 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2b99 h ARG 138 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2b99 h ARG 138 CO 0.01 0.14 0.00 -1.33 -1.51 0.00 0.00 179.97 177.28 2b99 n MET 139 N -4.16 2.72 -1.70 0.20 2.81 -0.62 -4.98 117.12 111.38 2b99 n MET 139 Ca -0.02 -2.52 -0.44 0.00 -1.81 0.00 0.00 57.70 52.91 2b99 n MET 139 Cb 0.22 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 2b99 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b99 n ALA 140 N 1.48 1.91 -1.12 3.04 0.00 -0.41 -1.60 120.51 123.80 2b99 n ALA 140 Ca 0.23 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 54.05 2b99 n ALA 140 Cb 0.61 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 2b99 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b99 n GLY 141 N 3.06 0.70 4.77 0.00 0.00 -1.26 -4.89 105.19 107.56 2b99 n GLY 141 Ca 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2b99 n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b99 n LYS 142 N -2.61 0.00 -2.69 1.61 4.81 -0.63 -4.55 118.16 114.11 2b99 n LYS 142 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.35 2b99 n LYS 142 Cb 0.17 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.32 2b99 n LYS 142 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b99 n GLY 143 N 0.00 -0.78 0.00 3.14 0.00 -1.26 -5.03 105.19 101.27 2b99 n GLY 143 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2b99 n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22