#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b98 s LYS 4 N 0.00 3.16 -0.13 1.97 2.20 -1.26 -0.74 119.74 124.93 2b98 s LYS 4 Ca 0.00 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 2b98 s LYS 4 Cb 0.00 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 2b98 s LYS 4 CO 0.00 0.03 -0.14 0.08 -0.36 0.00 0.00 175.35 174.97 2b98 s VAL 5 N 0.75 2.97 -0.01 4.02 1.01 -0.25 0.10 120.40 128.98 2b98 s VAL 5 Ca -0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2b98 s VAL 5 Cb -0.16 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2b98 s VAL 5 CO 0.01 0.52 0.34 -0.83 0.00 0.00 0.00 175.10 175.14 2b98 s GLY 6 N 0.39 2.37 -0.10 4.51 0.00 0.08 -2.03 107.32 112.54 2b98 s GLY 6 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2b98 s GLY 6 CO 0.06 -0.07 -0.08 -0.42 0.00 0.00 0.00 173.10 172.59 2b98 s ILE 7 N -1.14 1.00 -0.19 0.90 1.01 -0.41 0.46 121.20 122.83 2b98 s ILE 7 Ca 0.24 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2b98 s ILE 7 Cb -0.15 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.35 2b98 s ILE 7 CO 0.12 0.36 -0.15 -0.69 0.00 0.00 0.00 174.94 174.58 2b98 s VAL 8 N 1.51 1.89 0.37 2.92 1.01 -0.36 -1.32 120.40 126.42 2b98 s VAL 8 Ca 0.01 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2b98 s VAL 8 Cb -0.13 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2b98 s VAL 8 CO -0.06 0.35 0.05 -0.90 0.00 0.00 0.00 175.10 174.54 2b98 n ASP 9 N 4.63 2.34 -4.23 3.32 3.85 -0.99 0.18 116.55 125.66 2b98 n ASP 9 Ca -0.18 -2.73 -0.16 0.00 -0.71 0.00 0.00 54.79 51.02 2b98 n ASP 9 Cb 0.48 0.49 -0.11 0.00 -1.35 0.00 0.00 41.12 40.63 2b98 n ASP 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2b98 s THR 10 N -2.56 1.19 -0.39 2.12 -4.23 -1.25 -1.00 115.64 109.52 2b98 s THR 10 Ca 0.06 -1.77 0.22 0.00 -1.18 0.00 0.00 61.69 59.02 2b98 s THR 10 Cb 0.00 -1.55 0.30 0.00 1.34 0.00 0.00 72.50 72.60 2b98 s THR 10 CO 0.05 -0.53 1.59 0.71 -0.54 0.00 0.00 174.62 175.90 2b98 h THR 11 N 3.36 0.12 -0.15 3.99 1.35 -1.24 -3.34 112.91 117.00 2b98 h THR 11 Ca -0.38 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.31 2b98 h THR 11 Cb 1.19 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 2b98 h THR 11 CO 0.54 0.07 0.04 0.15 -0.25 0.00 0.00 175.52 176.06 2b98 h PHE 12 N 0.00 0.25 -1.32 4.73 3.57 -1.63 -3.44 116.94 119.10 2b98 h PHE 12 Ca -0.00 -0.03 -0.67 0.00 3.53 0.00 0.00 57.97 60.80 2b98 h PHE 12 Cb 1.04 -0.07 0.10 0.00 2.79 0.00 0.00 35.95 39.82 2b98 h PHE 12 CO 0.00 0.38 -0.31 0.00 -2.23 0.00 0.00 178.31 176.15 2b98 n ALA 13 N -2.26 -2.36 -0.02 2.41 0.00 -1.26 -4.87 120.51 112.15 2b98 n ALA 13 Ca -0.05 0.45 0.10 0.00 0.00 0.00 0.00 53.44 53.94 2b98 n ALA 13 Cb 0.16 -1.72 0.28 0.00 0.00 0.00 0.00 19.45 18.17 2b98 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b98 n ARG 14 N 1.04 2.53 -3.72 0.00 1.74 -1.26 -4.84 116.66 112.14 2b98 n ARG 14 Ca 0.17 -2.28 -0.12 0.00 -0.77 0.00 0.00 57.85 54.85 2b98 n ARG 14 Cb 0.25 -1.51 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 2b98 n ARG 14 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2b98 s VAL 15 N -1.21 -0.03 -0.46 1.55 1.01 -1.26 -5.00 120.40 115.00 2b98 s VAL 15 Ca 0.42 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 2b98 s VAL 15 Cb 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2b98 s VAL 15 CO 0.28 0.04 1.50 -0.62 0.00 0.00 0.00 175.10 176.30 2b98 s ASP 16 N 1.15 6.14 0.01 3.32 3.68 -1.26 -4.84 116.67 124.86 2b98 s ASP 16 Ca -0.08 0.70 0.20 0.00 2.13 0.00 0.00 52.55 55.50 2b98 s ASP 16 Cb -0.09 -2.54 -0.20 0.00 -1.45 0.00 0.00 42.92 38.64 2b98 s ASP 16 CO -0.09 -1.62 0.60 0.23 0.13 0.00 0.00 175.17 174.42 2b98 n MET 17 N 8.38 0.64 0.18 4.34 2.81 -1.26 -4.60 117.12 127.61 2b98 n MET 17 Ca 0.16 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.93 2b98 n MET 17 Cb 0.48 -1.66 -0.08 0.00 -0.71 0.00 0.00 33.22 31.26 2b98 n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b98 h ALA 18 N 1.64 -0.42 -0.98 3.04 0.00 -1.98 -2.46 119.26 118.10 2b98 h ALA 18 Ca -0.15 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.83 2b98 h ALA 18 Cb 1.42 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 2b98 h ALA 18 CO 0.02 -0.74 0.61 0.77 0.00 0.00 0.00 179.25 179.91 2b98 h SER 19 N -0.43 0.79 0.83 0.00 0.02 -2.00 0.07 113.55 112.84 2b98 h SER 19 Ca -0.03 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 2b98 h SER 19 Cb 0.35 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2b98 h SER 19 CO 0.04 0.36 -0.87 0.40 -1.14 0.00 0.00 176.83 175.63 2b98 h ILE 20 N 0.82 1.61 0.30 3.27 1.08 -1.83 -2.09 117.51 120.67 2b98 h ILE 20 Ca 0.52 -2.92 -0.01 0.00 -0.39 0.00 0.00 64.86 62.05 2b98 h ILE 20 Cb 0.73 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 2b98 h ILE 20 CO -0.29 0.84 -0.14 0.00 -0.69 0.00 0.00 178.15 177.86 2b98 h ALA 21 N 1.12 -0.40 -0.21 1.87 0.00 -0.61 -2.01 119.26 119.02 2b98 h ALA 21 Ca -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b98 h ALA 21 Cb 1.53 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 2b98 h ALA 21 CO 0.11 -0.65 -0.52 0.82 0.00 0.00 0.00 179.25 179.01 2b98 h ILE 22 N -0.55 0.03 -0.90 0.00 1.08 -1.09 -0.81 117.51 115.26 2b98 h ILE 22 Ca -0.04 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.56 2b98 h ILE 22 Cb 0.41 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.10 2b98 h ILE 22 CO 0.07 0.00 0.52 0.50 -0.69 0.00 0.00 178.15 178.54 2b98 h LYS 23 N -0.52 0.75 -0.21 2.37 3.64 -1.40 -0.22 116.57 120.99 2b98 h LYS 23 Ca 0.06 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2b98 h LYS 23 Cb 0.65 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2b98 h LYS 23 CO -0.48 0.50 0.04 -0.22 -2.27 0.00 0.00 179.45 177.02 2b98 h LYS 24 N 0.77 0.34 -0.80 1.90 1.63 -0.84 -1.33 116.57 118.24 2b98 h LYS 24 Ca 0.47 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 60.24 2b98 h LYS 24 Cb 0.57 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 2b98 h LYS 24 CO -0.31 0.49 0.49 -0.07 -3.45 0.00 0.00 179.45 176.59 2b98 h LEU 25 N 0.14 0.77 -0.30 5.20 4.07 -0.15 -2.32 115.31 122.73 2b98 h LEU 25 Ca 0.06 0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.84 2b98 h LEU 25 Cb 0.31 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2b98 h LEU 25 CO 0.00 0.50 -0.68 0.11 -1.08 0.00 0.00 178.44 177.30 2b98 h LYS 26 N 0.90 0.71 -0.27 1.13 1.57 -1.01 -1.11 116.57 118.50 2b98 h LYS 26 Ca 0.34 -0.52 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2b98 h LYS 26 Cb 0.15 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2b98 h LYS 26 CO -0.16 1.14 -0.22 1.49 -0.57 0.00 0.00 179.45 181.13 2b98 h GLU 27 N 0.51 -0.20 0.01 3.15 4.81 -1.09 -2.16 114.58 119.62 2b98 h GLU 27 Ca -0.02 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 2b98 h GLU 27 Cb 1.28 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2b98 h GLU 27 CO 0.14 -0.13 -0.92 -0.07 -0.73 0.00 0.00 179.01 177.29 2b98 h LEU 28 N -0.21 0.12 -6.30 1.64 3.38 -1.32 -3.39 115.31 109.23 2b98 h LEU 28 Ca 0.15 -0.11 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 2b98 h LEU 28 Cb 0.43 -0.04 -0.36 0.00 0.09 0.00 0.00 40.66 40.79 2b98 h LEU 28 CO -0.39 0.98 -0.88 -0.55 0.09 0.00 0.00 178.44 177.69 2b98 s SER 29 N -6.84 1.50 0.45 -0.43 0.15 -0.43 -5.05 113.70 103.06 2b98 s SER 29 Ca -0.01 -2.58 0.28 0.00 0.70 0.00 0.00 55.95 54.34 2b98 s SER 29 Cb 0.10 -0.11 1.35 0.00 -1.71 0.00 0.00 66.02 65.65 2b98 s SER 29 CO 0.82 -0.20 1.71 -0.65 1.20 0.00 0.00 173.24 176.12 2b98 h PRO 30 N 6.07 0.17 -0.53 5.44 0.11 -1.59 -1.29 132.00 140.38 2b98 h PRO 30 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2b98 h PRO 30 Cb 0.96 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2b98 h PRO 30 CO 0.29 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.29 2b98 n ASN 31 N -4.51 3.53 -4.77 -2.05 4.13 -1.26 -4.92 115.26 105.41 2b98 n ASN 31 Ca 0.31 -1.97 -0.40 0.00 1.68 0.00 0.00 54.58 54.19 2b98 n ASN 31 Cb 1.23 -0.35 0.01 0.00 -1.54 0.00 0.00 39.78 39.13 2b98 n ASN 31 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2b98 s ILE 32 N -1.13 2.12 -0.10 2.41 2.07 -0.49 -4.83 121.20 121.25 2b98 s ILE 32 Ca 0.39 0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.59 2b98 s ILE 32 Cb 0.21 -3.07 -0.05 0.00 0.13 0.00 0.00 42.46 39.69 2b98 s ILE 32 CO 0.29 0.02 0.39 -0.54 -1.91 0.00 0.00 174.94 173.19 2b98 s LYS 33 N -2.26 4.18 -0.05 3.50 3.01 0.08 -4.99 119.74 123.22 2b98 s LYS 33 Ca 0.57 0.31 0.05 0.00 -1.01 0.00 0.00 55.97 55.89 2b98 s LYS 33 Cb -0.44 -3.37 -0.01 0.00 -1.01 0.00 0.00 37.83 33.00 2b98 s LYS 33 CO 0.59 0.34 -0.21 0.42 0.51 0.00 0.00 175.35 176.99 2b98 s ILE 34 N 0.09 1.75 -0.05 2.17 -1.09 -1.26 -1.09 121.20 121.72 2b98 s ILE 34 Ca 0.22 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 2b98 s ILE 34 Cb -0.15 -1.49 0.01 0.00 -1.58 0.00 0.00 42.46 39.26 2b98 s ILE 34 CO 0.09 0.49 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.56 2b98 s ILE 35 N -0.11 0.91 -0.09 2.92 -1.09 -0.86 -4.99 121.20 117.89 2b98 s ILE 35 Ca -0.02 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2b98 s ILE 35 Cb -0.12 -0.84 -0.02 0.00 -1.58 0.00 0.00 42.46 39.90 2b98 s ILE 35 CO 0.03 0.30 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.75 2b98 s ARG 36 N 0.51 2.94 -0.01 2.79 0.52 -1.26 -1.28 118.95 123.15 2b98 s ARG 36 Ca -0.09 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2b98 s ARG 36 Cb -0.13 -2.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.87 2b98 s ARG 36 CO 0.02 0.39 -0.09 0.21 0.02 0.00 0.00 175.30 175.85 2b98 s LYS 37 N -0.12 0.76 -0.06 3.54 2.20 -0.44 -4.98 119.74 120.64 2b98 s LYS 37 Ca -0.02 -0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.35 2b98 s LYS 37 Cb -0.14 -0.73 -0.01 0.00 -1.51 0.00 0.00 37.83 35.44 2b98 s LYS 37 CO 0.04 0.16 -0.24 0.99 -0.36 0.00 0.00 175.35 175.94 2b98 s THR 38 N -0.09 1.99 0.18 3.43 2.01 -1.26 -2.34 115.64 119.56 2b98 s THR 38 Ca 0.02 -1.03 0.09 0.00 0.31 0.00 0.00 61.69 61.07 2b98 s THR 38 Cb -0.05 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2b98 s THR 38 CO -0.00 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 174.98 2b98 s VAL 39 N -0.13 1.86 0.12 3.82 -7.23 -0.17 -4.99 120.40 113.69 2b98 s VAL 39 Ca -0.04 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 2b98 s VAL 39 Cb -0.14 -1.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 2b98 s VAL 39 CO 0.04 -0.36 1.60 -0.65 -0.31 0.00 0.00 175.10 175.42 2b98 h PRO 40 N 3.08 -0.51 -4.71 4.82 0.11 -1.95 -1.94 132.00 130.91 2b98 h PRO 40 Ca -0.42 0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.43 2b98 h PRO 40 Cb 1.21 0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.29 2b98 h PRO 40 CO 0.53 -0.34 -0.61 0.20 -0.21 0.00 0.00 178.00 177.58 2b98 s GLY 41 N -2.49 1.62 0.44 -0.55 0.00 -1.26 -1.88 107.32 103.20 2b98 s GLY 41 Ca -0.16 -1.77 0.12 0.00 0.00 0.00 0.00 44.72 42.92 2b98 s GLY 41 CO 0.64 -1.47 2.02 1.19 0.00 0.00 0.00 173.10 175.49 2b98 h ILE 42 N 2.50 0.96 0.00 0.90 2.10 -1.94 -1.12 117.51 120.91 2b98 h ILE 42 Ca -0.36 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.45 2b98 h ILE 42 Cb 1.25 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 2b98 h ILE 42 CO 0.54 0.07 0.00 0.29 -1.08 0.00 0.00 178.15 177.97 2b98 n LYS 43 N -4.47 0.04 0.00 2.19 5.02 -1.26 -2.21 118.16 117.46 2b98 n LYS 43 Ca 0.07 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.62 2b98 n LYS 43 Cb 0.26 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.90 2b98 n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2b98 n ASP 44 N -1.47 1.06 -0.06 4.39 10.43 -0.42 -4.53 116.55 125.94 2b98 n ASP 44 Ca 0.05 -0.86 -0.12 0.00 2.57 0.00 0.00 54.79 56.44 2b98 n ASP 44 Cb 0.22 0.48 -0.06 0.00 1.84 0.00 0.00 41.12 43.61 2b98 n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2b98 h LEU 45 N 0.76 0.34 -0.30 0.64 3.38 -1.48 -3.27 115.31 115.38 2b98 h LEU 45 Ca 0.00 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.70 2b98 h LEU 45 Cb 0.55 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2b98 h LEU 45 CO 0.00 0.59 -0.11 -0.65 0.09 0.00 0.00 178.44 178.36 2b98 h PRO 46 N 0.08 -0.05 -0.27 1.13 0.11 -1.80 -1.27 132.00 129.93 2b98 h PRO 46 Ca 0.05 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 2b98 h PRO 46 Cb 0.43 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2b98 h PRO 46 CO 0.01 -0.03 -0.25 0.28 -0.21 0.00 0.00 178.00 177.80 2b98 h VAL 47 N -0.05 1.27 -0.35 3.15 2.07 -1.89 -1.54 116.25 118.90 2b98 h VAL 47 Ca 0.15 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 2b98 h VAL 47 Cb 0.28 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2b98 h VAL 47 CO -0.34 0.41 -0.13 0.00 0.02 0.00 0.00 177.57 177.53 2b98 h ALA 48 N 1.27 0.49 -0.24 1.67 0.00 -1.56 0.60 119.26 121.50 2b98 h ALA 48 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2b98 h ALA 48 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2b98 h ALA 48 CO 0.05 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.81 2b98 h LYS 50 N 0.28 0.49 -0.69 0.00 3.64 -1.04 -1.21 116.57 118.04 2b98 h LYS 50 Ca 0.09 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2b98 h LYS 50 Cb 0.00 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 2b98 h LYS 50 CO -0.05 0.42 0.36 0.87 -2.27 0.00 0.00 179.45 178.78 2b98 h LYS 51 N 0.44 0.62 -0.40 1.90 1.57 -0.82 -0.19 116.57 119.69 2b98 h LYS 51 Ca 0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2b98 h LYS 51 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2b98 h LYS 51 CO -0.02 0.41 0.01 -0.07 -0.57 0.00 0.00 179.45 179.21 2b98 h LEU 52 N 0.64 0.59 -0.48 2.94 4.07 -0.94 0.29 115.31 122.42 2b98 h LEU 52 Ca 0.32 -0.12 -0.17 0.00 0.08 0.00 0.00 57.88 58.00 2b98 h LEU 52 Cb 0.28 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2b98 h LEU 52 CO -0.23 0.65 -0.72 -0.07 -1.08 0.00 0.00 178.44 177.00 2b98 h LEU 53 N 0.60 0.32 0.00 1.67 3.38 -0.33 -2.73 115.31 118.21 2b98 h LEU 53 Ca 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2b98 h LEU 53 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2b98 h LEU 53 CO 0.01 0.93 -1.49 -0.62 0.09 0.00 0.00 178.44 177.36 2b98 n GLU 54 N -3.80 0.58 0.00 1.13 1.02 -0.17 -4.14 120.64 115.26 2b98 n GLU 54 Ca -0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2b98 n GLU 54 Cb 0.70 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2b98 n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b98 n GLU 55 N -1.88 2.36 -0.07 3.49 1.02 0.10 -4.73 120.64 120.93 2b98 n GLU 55 Ca -0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 2b98 n GLU 55 Cb 0.43 -0.78 0.10 0.00 -0.02 0.00 0.00 31.44 31.17 2b98 n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b98 n GLU 56 N -0.92 2.03 -1.11 3.49 -0.58 -1.15 -5.01 120.64 117.39 2b98 n GLU 56 Ca 0.00 -2.21 -0.04 0.00 -0.42 0.00 0.00 57.16 54.50 2b98 n GLU 56 Cb 0.00 -1.34 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 2b98 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b98 n GLY 57 N -0.99 0.59 3.71 0.62 0.00 -1.23 -4.96 105.19 102.94 2b98 n GLY 57 Ca 0.11 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2b98 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b98 h ASP 59 N 6.86 0.00 -4.82 0.00 5.19 -0.68 -3.42 116.42 119.55 2b98 h ASP 59 Ca -0.42 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2b98 h ASP 59 Cb 1.21 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.56 2b98 h ASP 59 CO 0.86 0.33 0.30 -0.51 -3.12 0.00 0.00 179.24 177.11 2b98 s ILE 60 N -3.29 0.00 0.03 0.35 2.07 -1.18 -4.50 121.20 114.68 2b98 s ILE 60 Ca 0.03 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 2b98 s ILE 60 Cb 0.08 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 2b98 s ILE 60 CO 0.69 0.00 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.91 2b98 s VAL 61 N -2.49 0.91 -0.22 4.00 1.01 -0.93 -0.74 120.40 121.93 2b98 s VAL 61 Ca -0.02 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2b98 s VAL 61 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2b98 s VAL 61 CO -0.03 -0.00 0.09 -0.04 0.00 0.00 0.00 175.10 175.12 2b98 s MET 62 N -0.95 3.86 -0.39 2.72 1.00 0.17 -1.33 119.30 124.38 2b98 s MET 62 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 55.69 55.18 2b98 s MET 62 Cb -0.07 -3.34 0.02 0.00 0.00 0.00 0.00 34.83 31.44 2b98 s MET 62 CO 0.01 0.02 0.25 0.00 0.00 0.00 0.00 175.02 175.30 2b98 s ALA 63 N 1.08 3.38 -0.28 3.03 0.00 -0.05 -1.23 121.76 127.69 2b98 s ALA 63 Ca 0.05 -1.72 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 2b98 s ALA 63 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2b98 s ALA 63 CO 0.04 -1.43 0.13 -0.51 0.00 0.00 0.00 175.76 173.99 2b98 s LEU 64 N 1.61 3.83 0.05 0.00 1.43 0.13 -0.12 118.68 125.62 2b98 s LEU 64 Ca 0.03 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2b98 s LEU 64 Cb -0.19 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2b98 s LEU 64 CO 0.08 -0.11 0.02 -0.83 0.23 0.00 0.00 176.35 175.74 2b98 s GLY 65 N 1.64 0.37 -0.36 -3.19 0.00 -0.53 -3.98 107.32 101.26 2b98 s GLY 65 Ca 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 2b98 s GLY 65 CO 0.06 -1.14 0.19 1.06 0.00 0.00 0.00 173.10 173.27 2b98 s MET 66 N -3.64 0.70 0.51 2.90 -1.94 -1.26 -1.60 119.30 114.97 2b98 s MET 66 Ca 0.04 -1.33 -0.23 0.00 -1.71 0.00 0.00 55.69 52.46 2b98 s MET 66 Cb 0.06 -1.65 -0.06 0.00 2.01 0.00 0.00 34.83 35.18 2b98 s MET 66 CO -0.09 -1.13 1.31 -2.30 -0.01 0.00 0.00 175.02 172.79 2b98 n PRO 67 N 4.24 1.74 -0.46 2.03 -0.02 -1.23 -4.67 135.00 136.61 2b98 n PRO 67 Ca 0.06 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2b98 n PRO 67 Cb 0.38 -2.49 0.10 0.00 -0.02 0.00 0.00 33.50 31.47 2b98 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b98 n GLY 68 N 0.80 -2.45 0.09 -1.23 0.00 -1.26 -1.85 105.19 99.28 2b98 n GLY 68 Ca 0.09 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 2b98 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b98 h LYS 69 N 0.00 0.00 -7.24 1.61 1.57 -1.95 -3.41 116.57 107.15 2b98 h LYS 69 Ca -0.17 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.15 2b98 h LYS 69 Cb 0.51 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.01 2b98 h LYS 69 CO 0.11 0.60 0.13 0.00 -0.57 0.00 0.00 179.45 179.72 2b98 s ALA 70 N -2.76 0.52 0.27 3.86 0.00 -1.26 -4.88 121.76 117.51 2b98 s ALA 70 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2b98 s ALA 70 Cb 0.09 -3.25 0.37 0.00 0.00 0.00 0.00 23.12 20.33 2b98 s ALA 70 CO 0.81 -3.18 1.76 1.05 0.00 0.00 0.00 175.76 176.20 2b98 h GLU 71 N -2.15 0.71 -0.24 0.00 4.11 -2.00 -2.83 114.58 112.17 2b98 h GLU 71 Ca -0.55 -0.20 -0.08 0.00 0.07 0.00 0.00 59.36 58.60 2b98 h GLU 71 Cb 1.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2b98 h GLU 71 CO 0.51 0.76 -0.21 -0.22 0.07 0.00 0.00 179.01 179.92 2b98 h LYS 72 N 0.66 0.44 -0.03 1.06 3.64 -1.98 -2.65 116.57 117.71 2b98 h LYS 72 Ca 0.12 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2b98 h LYS 72 Cb 0.48 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2b98 h LYS 72 CO 0.02 0.63 -0.59 -0.44 -2.27 0.00 0.00 179.45 176.81 2b98 h ASP 73 N 0.40 0.12 0.17 4.20 3.45 -1.85 -1.83 116.42 121.09 2b98 h ASP 73 Ca 0.07 -0.07 -0.11 0.00 0.43 0.00 0.00 57.03 57.34 2b98 h ASP 73 Cb 0.59 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 2b98 h ASP 73 CO 0.04 0.68 -0.41 0.11 -1.57 0.00 0.00 179.24 178.09 2b98 h LYS 74 N 0.08 0.31 -0.12 3.56 1.57 -1.24 -1.60 116.57 119.14 2b98 h LYS 74 Ca -0.01 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 2b98 h LYS 74 Cb 1.06 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.38 2b98 h LYS 74 CO 0.08 0.68 -0.57 0.28 -0.57 0.00 0.00 179.45 179.35 2b98 h VAL 75 N 0.26 1.34 -0.19 0.50 2.07 -1.38 -2.47 116.25 116.39 2b98 h VAL 75 Ca 0.02 -1.86 0.05 0.00 0.82 0.00 0.00 66.70 65.73 2b98 h VAL 75 Cb 0.84 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.71 2b98 h VAL 75 CO 0.07 0.57 -0.11 0.00 0.02 0.00 0.00 177.57 178.12 2b98 h ALA 77 N 1.06 1.18 -0.58 0.00 0.00 -1.35 0.38 119.26 119.95 2b98 h ALA 77 Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2b98 h ALA 77 Cb 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2b98 h ALA 77 CO -0.25 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.12 2b98 h HIS 78 N 1.21 0.89 -0.28 0.00 6.17 -1.17 0.34 115.15 122.32 2b98 h HIS 78 Ca 0.30 -0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.32 2b98 h HIS 78 Cb 0.05 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 29.69 2b98 h HIS 78 CO 0.01 0.72 0.17 0.93 0.71 0.00 0.00 177.93 180.47 2b98 h GLU 79 N 0.80 0.34 -0.45 5.26 5.08 -0.38 -2.16 114.58 123.07 2b98 h GLU 79 Ca 0.19 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2b98 h GLU 79 Cb 0.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2b98 h GLU 79 CO -0.01 0.22 -0.22 0.00 -1.00 0.00 0.00 179.01 178.00 2b98 h ALA 80 N 1.12 0.77 -0.25 3.43 0.00 -0.65 -1.45 119.26 122.24 2b98 h ALA 80 Ca 0.11 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2b98 h ALA 80 Cb -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2b98 h ALA 80 CO -0.05 0.66 -0.13 0.77 0.00 0.00 0.00 179.25 180.50 2b98 h SER 81 N 0.78 -0.45 -0.75 0.00 0.02 -0.20 -0.28 113.55 112.67 2b98 h SER 81 Ca 0.10 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2b98 h SER 81 Cb 0.77 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2b98 h SER 81 CO 0.06 -0.17 0.36 -0.07 -1.14 0.00 0.00 176.83 175.87 2b98 h LEU 82 N -0.11 0.98 -0.50 5.07 3.38 -1.13 -1.55 115.31 121.46 2b98 h LEU 82 Ca 0.13 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2b98 h LEU 82 Cb 0.31 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2b98 h LEU 82 CO -0.32 0.84 0.20 1.23 0.09 0.00 0.00 178.44 180.48 2b98 h GLY 83 N 1.06 0.68 1.01 0.83 0.00 -0.87 -0.18 103.07 105.58 2b98 h GLY 83 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2b98 h GLY 83 CO -0.03 0.03 0.46 1.41 0.00 0.00 0.00 176.54 178.41 2b98 h LEU 84 N 0.39 0.93 -0.40 3.11 3.38 -0.65 0.39 115.31 122.46 2b98 h LEU 84 Ca 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2b98 h LEU 84 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2b98 h LEU 84 CO -0.22 0.73 0.22 0.24 0.09 0.00 0.00 178.44 179.50 2b98 h MET 85 N 1.05 0.55 -0.66 1.13 2.86 -0.78 -1.13 114.93 117.96 2b98 h MET 85 Ca 0.28 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2b98 h MET 85 Cb -0.03 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2b98 h MET 85 CO -0.05 0.44 0.31 -0.07 1.06 0.00 0.00 176.91 178.60 2b98 h LEU 86 N 0.51 0.87 -1.09 1.22 3.38 -0.78 -1.31 115.31 118.12 2b98 h LEU 86 Ca 0.14 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2b98 h LEU 86 Cb 0.04 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2b98 h LEU 86 CO -0.02 0.76 0.62 0.00 0.09 0.00 0.00 178.44 179.89 2b98 h ALA 87 N 1.14 1.45 -0.31 1.53 0.00 -0.54 -1.00 119.26 121.53 2b98 h ALA 87 Ca 0.23 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2b98 h ALA 87 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2b98 h ALA 87 CO -0.03 0.42 -0.06 1.96 0.00 0.00 0.00 179.25 181.54 2b98 h GLN 88 N 1.12 0.59 0.00 0.00 4.20 -0.95 -2.09 115.11 117.97 2b98 h GLN 88 Ca 0.40 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 2b98 h GLN 88 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2b98 h GLN 88 CO -0.15 0.76 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.39 2b98 h LEU 89 N 0.36 0.00 -0.28 1.46 3.38 -0.69 -2.99 115.31 116.56 2b98 h LEU 89 Ca 0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 2b98 h LEU 89 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2b98 h LEU 89 CO 0.03 0.32 -0.77 0.24 0.09 0.00 0.00 178.44 178.34 2b98 h MET 90 N 0.00 0.57 -4.95 1.13 2.86 -1.14 -3.39 114.93 110.01 2b98 h MET 90 Ca -0.00 -0.48 -0.66 0.00 -2.06 0.00 0.00 59.70 56.50 2b98 h MET 90 Cb 0.59 0.10 -0.26 0.00 0.06 0.00 0.00 31.60 32.09 2b98 h MET 90 CO 0.04 1.11 -0.68 0.95 1.06 0.00 0.00 176.91 179.39 2b98 s THR 91 N -3.64 3.71 -0.40 2.22 -4.23 -0.79 -4.99 115.64 107.52 2b98 s THR 91 Ca -0.08 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 59.96 2b98 s THR 91 Cb 0.09 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 2b98 s THR 91 CO 0.87 0.34 1.50 0.59 -0.54 0.00 0.00 174.62 177.38 2b98 n ASN 92 N 4.84 2.23 -3.96 3.99 5.03 -1.23 -4.46 115.26 121.70 2b98 n ASN 92 Ca -0.17 -2.12 -0.11 0.00 0.87 0.00 0.00 54.58 53.05 2b98 n ASN 92 Cb 0.50 -0.75 -0.12 0.00 -1.02 0.00 0.00 39.78 38.39 2b98 n ASN 92 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2b98 s LYS 93 N 4.15 0.25 0.29 3.52 1.02 -1.23 -5.10 119.74 122.64 2b98 s LYS 93 Ca 0.18 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.49 2b98 s LYS 93 Cb 0.05 -0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.24 2b98 s LYS 93 CO -0.01 -0.01 1.05 -1.01 -0.92 0.00 0.00 175.35 174.45 2b98 s HIS 94 N -0.88 3.62 -0.20 3.18 3.76 -1.26 -4.50 115.29 119.01 2b98 s HIS 94 Ca -0.09 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 2b98 s HIS 94 Cb -0.06 -3.18 0.05 0.00 1.11 0.00 0.00 32.58 30.50 2b98 s HIS 94 CO -0.00 -0.32 -0.07 0.42 -0.85 0.00 0.00 174.74 173.92 2b98 s ILE 95 N -1.27 1.45 -0.28 0.60 1.01 -1.26 -2.20 121.20 119.25 2b98 s ILE 95 Ca 0.46 -0.96 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 2b98 s ILE 95 Cb -0.28 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.58 2b98 s ILE 95 CO 0.36 0.08 0.93 -0.63 0.00 0.00 0.00 174.94 175.67 2b98 s ILE 96 N 1.46 4.70 -0.38 2.92 -1.09 -0.44 -4.91 121.20 123.47 2b98 s ILE 96 Ca -0.02 1.59 -0.26 0.00 -2.23 0.00 0.00 60.65 59.73 2b98 s ILE 96 Cb -0.17 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.48 2b98 s ILE 96 CO -0.07 -0.27 0.94 -0.70 -1.23 0.00 0.00 174.94 173.60 2b98 s GLU 97 N 3.18 3.82 -0.90 2.79 2.12 -1.26 -0.87 118.70 127.59 2b98 s GLU 97 Ca 0.39 0.56 -0.02 0.00 0.36 0.00 0.00 54.97 56.26 2b98 s GLU 97 Cb -0.14 -3.81 0.22 0.00 0.26 0.00 0.00 34.13 30.66 2b98 s GLU 97 CO 0.11 -0.98 0.79 0.08 -0.54 0.00 0.00 175.26 174.72 2b98 s VAL 98 N 3.53 4.42 -0.31 3.70 1.01 0.83 -4.97 120.40 128.60 2b98 s VAL 98 Ca 0.39 -3.82 -0.09 0.00 0.00 0.00 0.00 61.98 58.45 2b98 s VAL 98 Cb -0.12 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2b98 s VAL 98 CO 0.20 -1.09 0.14 -0.36 0.00 0.00 0.00 175.10 173.99 2b98 s PHE 99 N -1.31 3.18 -0.34 5.22 2.99 -1.26 -1.46 117.98 125.00 2b98 s PHE 99 Ca 0.27 -0.72 -0.05 0.00 0.00 0.00 0.00 56.93 56.43 2b98 s PHE 99 Cb -0.08 -2.34 0.06 0.00 0.00 0.00 0.00 43.02 40.66 2b98 s PHE 99 CO -0.12 -0.51 0.10 0.08 -0.00 0.00 0.00 175.22 174.77 2b98 s VAL 100 N 1.58 3.53 0.34 -0.44 1.01 -0.63 -5.00 120.40 120.80 2b98 s VAL 100 Ca 0.04 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 2b98 s VAL 100 Cb -0.17 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 2b98 s VAL 100 CO 0.05 -0.25 1.19 -1.00 0.00 0.00 0.00 175.10 175.09 2b98 s HIS 101 N 1.33 3.23 0.27 5.22 3.76 -1.26 -3.55 115.29 124.28 2b98 s HIS 101 Ca -0.01 1.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.44 2b98 s HIS 101 Cb -0.20 -3.44 0.41 0.00 1.11 0.00 0.00 32.58 30.45 2b98 s HIS 101 CO 0.01 -1.23 1.88 0.93 -0.85 0.00 0.00 174.74 175.48 2b98 h GLU 102 N 3.24 1.14 -0.99 1.40 5.08 -1.59 -1.32 114.58 121.53 2b98 h GLU 102 Ca -0.48 -0.07 0.36 0.00 -1.00 0.00 0.00 59.36 58.17 2b98 h GLU 102 Cb 1.22 -0.26 -0.12 0.00 0.50 0.00 0.00 28.75 30.10 2b98 h GLU 102 CO 0.65 0.75 0.61 -0.25 -1.00 0.00 0.00 179.01 179.77 2b98 n ASP 103 N -4.51 0.20 0.00 1.42 10.43 -1.26 -2.31 116.55 120.52 2b98 n ASP 103 Ca 0.15 1.15 0.13 0.00 2.57 0.00 0.00 54.79 58.79 2b98 n ASP 103 Cb 0.19 -0.56 0.62 0.00 1.84 0.00 0.00 41.12 43.20 2b98 n ASP 103 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2b98 n GLU 104 N -4.41 0.22 -4.33 -1.24 1.02 -0.50 -4.77 120.64 106.62 2b98 n GLU 104 Ca 0.31 0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 57.25 2b98 n GLU 104 Cb 1.16 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.96 2b98 n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b98 s ALA 105 N -2.75 2.05 -0.17 0.62 0.00 -0.98 -5.01 121.76 115.51 2b98 s ALA 105 Ca 0.20 -1.39 0.18 0.00 0.00 0.00 0.00 51.96 50.94 2b98 s ALA 105 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2b98 s ALA 105 CO 0.43 0.37 1.10 0.87 0.00 0.00 0.00 175.76 178.53 2b98 h LYS 106 N 3.73 0.00 -3.39 0.00 1.79 -1.86 -3.48 116.57 113.36 2b98 h LYS 106 Ca -0.46 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.94 2b98 h LYS 106 Cb 1.19 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.79 2b98 h LYS 106 CO 0.43 0.28 0.07 0.16 -1.08 0.00 0.00 179.45 179.31 2b98 s ASP 107 N -5.93 0.12 0.20 0.86 1.47 -1.26 -5.06 116.67 107.07 2b98 s ASP 107 Ca 0.00 -1.06 -0.11 0.00 1.18 0.00 0.00 52.55 52.56 2b98 s ASP 107 Cb 0.08 0.72 0.22 0.00 -0.34 0.00 0.00 42.92 43.61 2b98 s ASP 107 CO 0.78 -1.41 1.76 0.44 0.68 0.00 0.00 175.17 177.42 2b98 h ASP 108 N 2.08 0.30 -0.58 2.11 5.19 -1.98 -0.47 116.42 123.07 2b98 h ASP 108 Ca -0.27 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.12 2b98 h ASP 108 Cb 1.25 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 2b98 h ASP 108 CO 0.35 0.19 0.06 0.50 -3.12 0.00 0.00 179.24 177.22 2b98 h LYS 109 N 0.46 0.98 -0.71 3.56 3.64 -1.99 -0.56 116.57 121.94 2b98 h LYS 109 Ca 0.27 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2b98 h LYS 109 Cb 0.27 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2b98 h LYS 109 CO -0.24 0.95 0.17 1.49 -2.27 0.00 0.00 179.45 179.55 2b98 h GLU 110 N 0.87 1.15 -0.47 1.90 4.81 -1.93 -2.55 114.58 118.37 2b98 h GLU 110 Ca 0.17 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2b98 h GLU 110 Cb 0.47 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2b98 h GLU 110 CO 0.02 1.01 0.13 1.25 -0.73 0.00 0.00 179.01 180.69 2b98 h LEU 111 N 1.08 0.70 -0.00 1.64 6.46 -0.75 0.30 115.31 124.74 2b98 h LEU 111 Ca 0.22 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2b98 h LEU 111 Cb 0.38 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2b98 h LEU 111 CO 0.00 0.74 -0.06 -0.78 -0.62 0.00 0.00 178.44 177.72 2b98 h ASP 112 N 0.62 -0.16 -0.32 1.25 1.82 -1.09 -1.52 116.42 117.03 2b98 h ASP 112 Ca 0.15 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 2b98 h ASP 112 Cb 0.30 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 2b98 h ASP 112 CO -0.00 -0.08 0.18 -0.25 -1.61 0.00 0.00 179.24 177.47 2b98 h TRP 113 N -0.10 0.43 -0.02 0.28 7.01 -1.22 -2.82 115.95 119.52 2b98 h TRP 113 Ca 0.02 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 2b98 h TRP 113 Cb 0.13 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2b98 h TRP 113 CO -0.13 0.35 0.01 1.25 -2.79 0.00 0.00 178.44 177.13 2b98 h LEU 114 N 0.40 0.02 -0.77 0.65 6.46 -0.29 -0.96 115.31 120.81 2b98 h LEU 114 Ca 0.11 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2b98 h LEU 114 Cb 0.05 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 2b98 h LEU 114 CO -0.02 0.13 0.34 0.00 -0.62 0.00 0.00 178.44 178.28 2b98 h ALA 115 N 0.89 1.00 -0.52 1.25 0.00 -1.34 0.17 119.26 120.71 2b98 h ALA 115 Ca 0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2b98 h ALA 115 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2b98 h ALA 115 CO -0.00 0.59 -0.05 0.87 0.00 0.00 0.00 179.25 180.66 2b98 h LYS 116 N 1.10 0.94 -0.30 0.00 1.57 -1.45 -0.48 116.57 117.96 2b98 h LYS 116 Ca 0.26 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2b98 h LYS 116 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2b98 h LYS 116 CO -0.03 0.99 -0.23 -0.09 -0.57 0.00 0.00 179.45 179.52 2b98 h ARG 117 N 0.81 0.57 -0.40 3.15 9.65 -0.87 -1.57 114.38 125.72 2b98 h ARG 117 Ca 0.14 -0.21 -0.10 0.00 -1.10 0.00 0.00 59.98 58.71 2b98 h ARG 117 Cb 0.60 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 2b98 h ARG 117 CO 0.04 0.76 -0.14 -0.09 2.80 0.00 0.00 179.97 183.33 2b98 h ARG 118 N 0.51 0.81 -0.52 0.20 2.43 -0.83 -2.21 114.38 114.77 2b98 h ARG 118 Ca 0.08 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 2b98 h ARG 118 Cb 0.67 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2b98 h ARG 118 CO 0.05 0.95 0.09 0.00 -1.51 0.00 0.00 179.97 179.56 2b98 h ALA 119 N 0.83 1.19 -0.59 2.80 0.00 -0.95 -1.35 119.26 121.19 2b98 h ALA 119 Ca 0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2b98 h ALA 119 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2b98 h ALA 119 CO 0.05 0.55 0.17 1.49 0.00 0.00 0.00 179.25 181.51 2b98 h GLU 120 N 0.78 0.92 -0.24 0.00 4.81 -1.26 -2.09 114.58 117.50 2b98 h GLU 120 Ca 0.17 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2b98 h GLU 120 Cb 0.33 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2b98 h GLU 120 CO 0.00 0.83 -0.29 0.93 -0.73 0.00 0.00 179.01 179.76 2b98 h GLU 121 N 0.83 0.62 -0.22 1.92 5.08 -0.94 -1.73 114.58 120.15 2b98 h GLU 121 Ca 0.19 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2b98 h GLU 121 Cb 0.31 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2b98 h GLU 121 CO -0.00 0.95 -0.20 0.45 -1.00 0.00 0.00 179.01 179.21 2b98 h HIS 122 N 0.33 0.42 -0.80 4.33 3.86 -1.32 -2.06 115.15 119.92 2b98 h HIS 122 Ca 0.03 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2b98 h HIS 122 Cb 0.86 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 29.17 2b98 h HIS 122 CO 0.08 0.57 0.51 0.00 0.86 0.00 0.00 177.93 179.95 2b98 h ALA 123 N 1.44 1.05 -0.66 2.45 0.00 -1.05 0.31 119.26 122.80 2b98 h ALA 123 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b98 h ALA 123 Cb 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2b98 h ALA 123 CO 0.04 0.31 0.44 0.93 0.00 0.00 0.00 179.25 180.97 2b98 h GLU 124 N 0.98 0.87 -0.47 0.00 5.08 -0.77 -2.18 114.58 118.09 2b98 h GLU 124 Ca 0.32 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2b98 h GLU 124 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2b98 h GLU 124 CO -0.12 0.58 0.22 -0.91 -1.00 0.00 0.00 179.01 177.78 2b98 h ASN 125 N 0.90 0.63 -0.70 1.42 -0.26 -0.67 -1.38 115.58 115.51 2b98 h ASN 125 Ca 0.24 -0.14 0.12 0.00 -0.56 0.00 0.00 56.30 55.96 2b98 h ASN 125 Cb -0.10 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 36.91 2b98 h ASN 125 CO -0.05 0.59 0.29 0.58 -1.06 0.00 0.00 177.43 177.77 2b98 h VAL 126 N 0.62 0.73 -0.25 2.81 2.07 -0.80 0.11 116.25 121.54 2b98 h VAL 126 Ca 0.16 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2b98 h VAL 126 Cb 0.14 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2b98 h VAL 126 CO -0.02 0.08 0.16 0.22 0.02 0.00 0.00 177.57 178.04 2b98 h TYR 127 N 0.46 0.31 -0.63 1.57 3.20 -0.87 -1.68 116.97 119.33 2b98 h TYR 127 Ca 0.37 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 2b98 h TYR 127 Cb 0.49 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2b98 h TYR 127 CO -0.16 0.19 0.14 1.88 -1.64 0.00 0.00 178.16 178.57 2b98 h TYR 128 N 0.33 1.04 0.00 -3.82 0.05 -0.56 -0.89 116.97 113.13 2b98 h TYR 128 Ca 0.09 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 2b98 h TYR 128 Cb -0.03 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 2b98 h TYR 128 CO -0.06 0.86 -0.36 -0.07 -1.05 0.00 0.00 178.16 177.48 2b98 h LEU 129 N 0.94 0.00 0.21 3.88 3.38 -0.63 0.71 115.31 123.81 2b98 h LEU 129 Ca 0.20 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.88 2b98 h LEU 129 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.14 2b98 h LEU 129 CO 0.00 0.36 -1.28 0.25 0.09 0.00 0.00 178.44 177.87 2b98 h LEU 130 N 0.00 0.70 0.00 1.67 5.85 -0.87 -3.43 115.31 119.22 2b98 h LEU 130 Ca -0.00 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.79 2b98 h LEU 130 Cb 0.66 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2b98 h LEU 130 CO 0.05 1.61 -0.56 0.49 -0.34 0.00 0.00 178.44 179.69 2b98 n PHE 131 N -3.85 0.00 -3.10 1.25 3.01 -0.38 -4.88 117.46 109.51 2b98 n PHE 131 Ca -0.17 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.12 2b98 n PHE 131 Cb 1.01 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.45 2b98 n PHE 131 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2b98 n LYS 132 N -0.99 1.16 0.00 -1.08 3.00 0.14 -4.93 118.16 115.45 2b98 n LYS 132 Ca 0.00 -3.47 0.06 0.00 -0.00 0.00 0.00 58.31 54.91 2b98 n LYS 132 Cb 0.08 -1.68 0.38 0.00 0.00 0.00 0.00 35.03 33.81 2b98 n LYS 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2b98 n PRO 133 N 0.19 0.93 0.01 1.64 -0.04 -0.59 -1.88 135.00 135.26 2b98 n PRO 133 Ca 0.23 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 2b98 n PRO 133 Cb 0.67 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.81 2b98 n PRO 133 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b98 n GLU 134 N -0.71 0.63 -0.15 0.54 1.02 -1.26 -4.02 120.64 116.69 2b98 n GLU 134 Ca 0.10 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.31 2b98 n GLU 134 Cb 0.04 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 29.70 2b98 n GLU 134 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2b98 h TYR 135 N 0.00 0.82 -0.34 -0.32 3.20 -1.73 -2.30 116.97 116.29 2b98 h TYR 135 Ca -0.21 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.48 2b98 h TYR 135 Cb 1.67 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 2b98 h TYR 135 CO 0.00 0.80 0.02 -0.07 -1.64 0.00 0.00 178.16 177.26 2b98 h LEU 136 N 0.60 0.49 -0.34 2.82 3.38 -1.73 -2.07 115.31 118.46 2b98 h LEU 136 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2b98 h LEU 136 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2b98 h LEU 136 CO 0.02 0.55 0.10 0.74 0.09 0.00 0.00 178.44 179.94 2b98 h THR 137 N 0.51 1.21 -0.62 0.22 2.02 -1.67 -2.68 112.91 111.90 2b98 h THR 137 Ca 0.11 -0.69 0.10 0.00 0.77 0.00 0.00 66.41 66.70 2b98 h THR 137 Cb 0.31 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2b98 h THR 137 CO 0.01 0.24 0.41 -0.09 0.37 0.00 0.00 175.52 176.46 2b98 h ARG 138 N 0.40 0.42 -0.39 6.66 2.43 -0.82 -1.03 114.38 122.06 2b98 h ARG 138 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2b98 h ARG 138 Cb 0.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2b98 h ARG 138 CO -0.00 0.28 0.00 -1.33 -1.51 0.00 0.00 179.97 177.40 2b98 n MET 139 N -4.47 1.93 -1.51 0.20 2.81 -0.83 -4.94 117.12 110.29 2b98 n MET 139 Ca 0.10 -1.44 -0.36 0.00 -1.81 0.00 0.00 57.70 54.19 2b98 n MET 139 Cb 0.37 -1.33 -0.13 0.00 -0.71 0.00 0.00 33.22 31.43 2b98 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b98 n ALA 140 N 0.67 0.51 -2.57 3.04 0.00 -0.39 -3.71 120.51 118.05 2b98 n ALA 140 Ca 0.14 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 2b98 n ALA 140 Cb 0.34 -2.56 0.01 0.00 0.00 0.00 0.00 19.45 17.25 2b98 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b98 n GLY 141 N 6.28 -1.44 3.96 0.00 0.00 -1.26 -5.12 105.19 107.61 2b98 n GLY 141 Ca 0.59 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.54 2b98 n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60