#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b98 s LYS 3 N 0.00 2.30 -0.09 -0.78 -0.14 -1.26 -5.05 119.74 114.72 2b98 s LYS 3 Ca 0.00 -0.88 0.02 0.00 -1.36 0.00 0.00 55.97 53.75 2b98 s LYS 3 Cb 0.00 -2.36 0.02 0.00 -1.68 0.00 0.00 37.83 33.80 2b98 s LYS 3 CO 0.00 0.56 -0.13 0.21 -0.76 0.00 0.00 175.35 175.23 2b98 s LYS 4 N -1.65 1.91 -0.13 1.68 2.20 -1.26 -0.33 119.74 122.15 2b98 s LYS 4 Ca 0.18 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 2b98 s LYS 4 Cb -0.11 -1.65 -0.02 0.00 -1.51 0.00 0.00 37.83 34.53 2b98 s LYS 4 CO 0.09 -0.06 -0.08 0.08 -0.36 0.00 0.00 175.35 175.01 2b98 s VAL 5 N 0.98 3.50 -0.07 4.02 1.01 0.26 -0.20 120.40 129.91 2b98 s VAL 5 Ca -0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2b98 s VAL 5 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2b98 s VAL 5 CO -0.01 0.53 0.14 -0.83 0.00 0.00 0.00 175.10 174.93 2b98 s GLY 6 N 0.11 2.13 -0.20 4.51 0.00 -0.59 -1.91 107.32 111.35 2b98 s GLY 6 Ca -0.03 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.96 2b98 s GLY 6 CO 0.04 -0.52 -0.03 -0.42 0.00 0.00 0.00 173.10 172.16 2b98 s ILE 7 N -1.13 1.18 -0.21 0.90 1.09 0.64 -0.68 121.20 122.99 2b98 s ILE 7 Ca 0.20 -0.89 -0.03 0.00 -1.10 0.00 0.00 60.65 58.83 2b98 s ILE 7 Cb -0.12 -1.47 -0.00 0.00 -1.06 0.00 0.00 42.46 39.81 2b98 s ILE 7 CO 0.10 -0.05 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.11 2b98 s VAL 8 N 1.57 3.03 0.00 2.92 1.01 -0.18 -0.64 120.40 128.11 2b98 s VAL 8 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2b98 s VAL 8 Cb -0.17 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2b98 s VAL 8 CO -0.07 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.59 2b98 n ASP 9 N 4.71 0.93 -4.28 3.32 3.85 -0.73 -0.81 116.55 123.55 2b98 n ASP 9 Ca -0.19 -0.92 -0.15 0.00 -0.71 0.00 0.00 54.79 52.82 2b98 n ASP 9 Cb 0.51 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.18 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 -1.41 0.89 -0.09 2.12 -4.23 -1.26 -0.75 115.64 110.91 2b98 s THR 10 Ca 0.00 -2.01 0.15 0.00 -1.18 0.00 0.00 61.69 58.64 2b98 s THR 10 Cb 0.00 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 71.57 2b98 s THR 10 CO 0.00 -0.46 1.02 0.71 -0.54 0.00 0.00 174.62 175.35 2b98 h THR 11 N 2.62 0.77 -0.36 3.99 1.35 -1.32 -3.38 112.91 116.58 2b98 h THR 11 Ca -0.37 -2.30 -0.15 0.00 -0.55 0.00 0.00 66.41 63.03 2b98 h THR 11 Cb 1.21 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 2b98 h THR 11 CO 0.63 0.44 -0.38 0.15 -0.25 0.00 0.00 175.52 176.11 2b98 h PHE 12 N 0.00 1.05 -3.97 4.73 3.57 -1.76 -3.45 116.94 117.10 2b98 h PHE 12 Ca -0.12 -0.31 -0.55 0.00 3.53 0.00 0.00 57.97 60.52 2b98 h PHE 12 Cb 1.61 -0.22 0.18 0.00 2.79 0.00 0.00 35.95 40.30 2b98 h PHE 12 CO 0.00 1.12 0.24 0.00 -2.23 0.00 0.00 178.31 177.44 2b98 n ALA 13 N -2.54 0.03 0.87 2.41 0.00 -1.26 -4.96 120.51 115.06 2b98 n ALA 13 Ca -0.02 -0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.30 2b98 n ALA 13 Cb 0.54 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 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 -2.36 1.02 -5.10 0.00 1.74 -1.26 -4.90 116.66 105.81 2b98 n ARG 14 Ca 0.14 -0.19 -0.32 0.00 -0.77 0.00 0.00 57.85 56.71 2b98 n ARG 14 Cb 0.50 -1.37 -0.15 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.63 2.56 -0.56 1.55 1.01 -1.26 -5.08 120.40 115.98 2b98 s VAL 15 Ca 0.09 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2b98 s VAL 15 Cb 0.14 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.61 2b98 s VAL 15 CO 0.70 0.58 1.05 -0.62 0.00 0.00 0.00 175.10 176.82 2b98 s ASP 16 N -0.62 6.39 -0.00 3.32 3.68 -1.26 -4.85 116.67 123.32 2b98 s ASP 16 Ca 0.09 -0.15 0.19 0.00 2.13 0.00 0.00 52.55 54.82 2b98 s ASP 16 Cb -0.11 -2.49 -0.20 0.00 -1.45 0.00 0.00 42.92 38.68 2b98 s ASP 16 CO 0.00 -1.34 0.59 0.23 0.13 0.00 0.00 175.17 174.79 2b98 n MET 17 N 7.89 0.64 -0.35 4.34 2.81 -1.26 -4.32 117.12 126.87 2b98 n MET 17 Ca 0.05 0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.97 2b98 n MET 17 Cb 0.48 -1.67 0.13 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.56 1.31 -0.50 3.04 0.00 -1.98 -1.75 119.26 120.94 2b98 h ALA 18 Ca -0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2b98 h ALA 18 Cb 1.50 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2b98 h ALA 18 CO 0.02 0.64 -0.17 0.77 0.00 0.00 0.00 179.25 180.52 2b98 h SER 19 N 1.31 1.01 -0.73 0.00 0.02 -2.00 -1.12 113.55 112.04 2b98 h SER 19 Ca 0.35 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2b98 h SER 19 Cb -0.15 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.08 2b98 h SER 19 CO -0.08 1.16 0.45 0.40 -1.14 0.00 0.00 176.83 177.63 2b98 h ILE 20 N 0.86 1.20 0.18 3.27 1.08 -1.64 -2.68 117.51 119.77 2b98 h ILE 20 Ca 0.12 -0.42 -0.23 0.00 -0.39 0.00 0.00 64.86 63.94 2b98 h ILE 20 Cb 0.74 0.17 0.03 0.00 -3.07 0.00 0.00 36.82 34.69 2b98 h ILE 20 CO 0.06 0.20 -1.03 0.00 -0.69 0.00 0.00 178.15 176.69 2b98 h ALA 21 N 1.24 -0.11 -0.06 1.87 0.00 -1.18 -2.84 119.26 118.18 2b98 h ALA 21 Ca 0.26 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2b98 h ALA 21 Cb -0.06 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2b98 h ALA 21 CO -0.05 0.48 -0.25 0.82 0.00 0.00 0.00 179.25 180.24 2b98 h ILE 22 N -0.21 0.41 -0.24 0.00 5.03 -1.24 0.97 117.51 122.23 2b98 h ILE 22 Ca -0.18 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.61 2b98 h ILE 22 Cb 1.81 0.41 -0.05 0.00 -3.03 0.00 0.00 36.82 35.97 2b98 h ILE 22 CO 0.19 0.00 -0.07 0.50 -0.68 0.00 0.00 178.15 178.09 2b98 h LYS 23 N -0.35 -0.02 -0.46 2.37 3.64 -1.59 -0.28 116.57 119.87 2b98 h LYS 23 Ca 0.08 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.53 2b98 h LYS 23 Cb 0.47 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 2b98 h LYS 23 CO -0.27 -0.01 0.13 -0.22 -2.27 0.00 0.00 179.45 176.80 2b98 h LYS 24 N -0.02 0.27 -0.61 1.90 1.63 -1.22 -2.51 116.57 116.01 2b98 h LYS 24 Ca 0.12 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2b98 h LYS 24 Cb 0.20 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 2b98 h LYS 24 CO -0.26 0.18 0.30 -0.07 -3.45 0.00 0.00 179.45 176.14 2b98 h LEU 25 N 0.28 0.76 0.00 5.20 4.07 0.20 -2.74 115.31 123.08 2b98 h LEU 25 Ca 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2b98 h LEU 25 Cb 0.26 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 2b98 h LEU 25 CO -0.26 0.64 -0.12 0.11 -1.08 0.00 0.00 178.44 177.73 2b98 h LYS 26 N 0.85 0.00 0.24 1.13 1.57 -0.72 -2.72 116.57 116.93 2b98 h LYS 26 Ca 0.21 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.67 2b98 h LYS 26 Cb 0.07 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.42 2b98 h LYS 26 CO -0.03 0.06 -1.44 1.49 -0.57 0.00 0.00 179.45 178.95 2b98 h GLU 27 N 0.00 0.51 -0.16 3.15 4.81 -1.17 -2.78 114.58 118.95 2b98 h GLU 27 Ca -0.00 -0.88 -0.19 0.00 -0.13 0.00 0.00 59.36 58.16 2b98 h GLU 27 Cb 1.05 0.33 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 2b98 h GLU 27 CO 0.01 1.42 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.97 2b98 h LEU 28 N 0.09 0.72 -6.39 1.64 3.38 -1.56 -3.41 115.31 109.78 2b98 h LEU 28 Ca -0.26 -0.43 -0.42 0.00 0.09 0.00 0.00 57.88 56.86 2b98 h LEU 28 Cb 2.12 -0.21 -0.33 0.00 0.09 0.00 0.00 40.66 42.33 2b98 h LEU 28 CO 0.26 1.19 -0.73 -0.55 0.09 0.00 0.00 178.44 178.70 2b98 s SER 29 N -6.99 1.53 0.24 -0.43 0.15 -1.02 -5.03 113.70 102.14 2b98 s SER 29 Ca -0.08 -1.78 0.18 0.00 0.70 0.00 0.00 55.95 54.97 2b98 s SER 29 Cb 0.10 0.34 0.91 0.00 -1.71 0.00 0.00 66.02 65.66 2b98 s SER 29 CO 0.87 -0.26 1.56 -2.65 1.20 0.00 0.00 173.24 173.95 2b98 n PRO 30 N 4.12 0.12 -0.73 5.44 -0.02 -1.05 -2.23 135.00 140.66 2b98 n PRO 30 Ca 0.12 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 2b98 n PRO 30 Cb 0.43 -1.84 0.38 0.00 -0.02 0.00 0.00 33.50 32.45 2b98 n PRO 30 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2b98 n ASN 31 N -2.09 5.15 -4.75 2.55 4.13 -1.26 -4.96 115.26 114.03 2b98 n ASN 31 Ca -0.00 -2.62 -0.40 0.00 1.68 0.00 0.00 54.58 53.24 2b98 n ASN 31 Cb 0.08 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 37.66 2b98 n ASN 31 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2b98 s ILE 32 N -2.17 3.60 0.13 2.41 -5.25 -0.95 -4.63 121.20 114.34 2b98 s ILE 32 Ca 0.53 1.54 -0.19 0.00 -0.99 0.00 0.00 60.65 61.54 2b98 s ILE 32 Cb 0.36 -3.98 -0.07 0.00 2.95 0.00 0.00 42.46 41.72 2b98 s ILE 32 CO 0.22 0.34 0.63 -0.54 -1.79 0.00 0.00 174.94 173.79 2b98 s LYS 33 N -1.12 4.22 -0.10 0.37 3.01 0.54 -4.98 119.74 121.68 2b98 s LYS 33 Ca 0.46 0.78 0.01 0.00 -1.01 0.00 0.00 55.97 56.20 2b98 s LYS 33 Cb -0.31 -3.11 0.02 0.00 -1.01 0.00 0.00 37.83 33.42 2b98 s LYS 33 CO 0.39 0.55 -0.09 0.42 0.51 0.00 0.00 175.35 177.12 2b98 s ILE 34 N -1.27 1.08 -0.09 2.17 -1.09 -1.26 -0.57 121.20 120.17 2b98 s ILE 34 Ca 0.34 -0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 2b98 s ILE 34 Cb -0.19 -1.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.64 2b98 s ILE 34 CO 0.20 0.37 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.44 2b98 s ILE 35 N 1.34 1.83 0.04 2.92 -1.09 -0.81 -5.00 121.20 120.43 2b98 s ILE 35 Ca -0.02 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.54 2b98 s ILE 35 Cb -0.14 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 2b98 s ILE 35 CO -0.04 0.51 0.03 -0.60 -1.23 0.00 0.00 174.94 173.60 2b98 s ARG 36 N 0.43 2.78 -0.14 2.79 3.52 -1.26 -0.26 118.95 126.81 2b98 s ARG 36 Ca -0.18 -0.68 -0.08 0.00 -0.13 0.00 0.00 55.73 54.66 2b98 s ARG 36 Cb -0.17 -2.67 0.05 0.00 -1.56 0.00 0.00 34.95 30.59 2b98 s ARG 36 CO 0.08 0.59 0.33 0.21 -0.81 0.00 0.00 175.30 175.70 2b98 s LYS 37 N -1.98 0.33 -0.08 5.12 2.20 0.19 -4.91 119.74 120.61 2b98 s LYS 37 Ca 0.24 0.62 0.03 0.00 -0.36 0.00 0.00 55.97 56.50 2b98 s LYS 37 Cb -0.12 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 2b98 s LYS 37 CO 0.16 -0.13 -0.17 0.99 -0.36 0.00 0.00 175.35 175.83 2b98 s THR 38 N 1.04 2.74 0.19 3.43 2.01 -1.26 -1.78 115.64 122.01 2b98 s THR 38 Ca -0.07 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.22 2b98 s THR 38 Cb -0.08 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2b98 s THR 38 CO -0.08 0.56 -0.20 0.68 -0.69 0.00 0.00 174.62 174.89 2b98 s VAL 39 N -0.20 2.09 0.13 3.82 -7.23 0.07 -4.97 120.40 114.11 2b98 s VAL 39 Ca -0.01 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 57.92 2b98 s VAL 39 Cb -0.13 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2b98 s VAL 39 CO 0.03 -0.27 1.69 -0.65 -0.31 0.00 0.00 175.10 175.60 2b98 h PRO 40 N 3.09 -0.07 -4.67 4.82 0.11 -1.95 -2.44 132.00 130.87 2b98 h PRO 40 Ca -0.43 0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.37 2b98 h PRO 40 Cb 1.21 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.20 2b98 h PRO 40 CO 0.51 -0.05 -0.57 0.20 -0.21 0.00 0.00 178.00 177.89 2b98 s GLY 41 N -2.60 1.72 0.52 -0.55 0.00 -1.26 -2.53 107.32 102.61 2b98 s GLY 41 Ca -0.14 -1.81 0.18 0.00 0.00 0.00 0.00 44.72 42.95 2b98 s GLY 41 CO 0.68 -1.41 2.11 1.19 0.00 0.00 0.00 173.10 175.67 2b98 h ILE 42 N 2.45 0.94 0.00 0.90 2.10 -1.94 -1.54 117.51 120.42 2b98 h ILE 42 Ca -0.32 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.61 2b98 h ILE 42 Cb 1.24 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 2b98 h ILE 42 CO 0.47 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 177.84 2b98 n LYS 43 N -4.50 0.20 0.00 2.19 5.02 -1.26 -2.60 118.16 117.20 2b98 n LYS 43 Ca 0.00 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2b98 n LYS 43 Cb 0.21 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.39 1.73 -0.07 4.39 10.43 -0.58 -4.42 116.55 126.64 2b98 n ASP 44 Ca 0.10 -1.33 -0.10 0.00 2.57 0.00 0.00 54.79 56.02 2b98 n ASP 44 Cb 0.25 0.46 -0.04 0.00 1.84 0.00 0.00 41.12 43.64 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 1.94 0.31 -0.16 0.64 3.38 -1.57 -3.23 115.31 116.61 2b98 h LEU 45 Ca 0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2b98 h LEU 45 Cb 0.68 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 2b98 h LEU 45 CO 0.00 0.37 -0.32 -0.65 0.09 0.00 0.00 178.44 177.93 2b98 h PRO 46 N 0.22 -0.37 -0.67 1.13 0.11 -1.78 -1.38 132.00 129.26 2b98 h PRO 46 Ca 0.08 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 2b98 h PRO 46 Cb 0.16 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 2b98 h PRO 46 CO -0.01 -0.25 0.29 0.28 -0.21 0.00 0.00 178.00 178.11 2b98 h VAL 47 N -0.38 1.23 -0.64 3.15 2.07 -1.88 -2.08 116.25 117.73 2b98 h VAL 47 Ca 0.10 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2b98 h VAL 47 Cb 0.55 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2b98 h VAL 47 CO -0.37 0.28 0.34 0.00 0.02 0.00 0.00 177.57 177.84 2b98 h ALA 48 N 1.13 0.81 -0.11 1.67 0.00 -1.51 0.29 119.26 121.55 2b98 h ALA 48 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2b98 h ALA 48 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2b98 h ALA 48 CO -0.02 0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.63 2b98 h LYS 50 N 0.13 0.70 -0.56 0.00 3.64 -0.65 -1.05 116.57 118.79 2b98 h LYS 50 Ca 0.04 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2b98 h LYS 50 Cb 0.00 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.61 2b98 h LYS 50 CO -0.01 0.47 0.26 0.87 -2.27 0.00 0.00 179.45 178.77 2b98 h LYS 51 N 0.73 0.48 -0.63 1.90 1.57 -0.33 0.21 116.57 120.49 2b98 h LYS 51 Ca 0.23 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2b98 h LYS 51 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2b98 h LYS 51 CO -0.08 0.32 0.05 -0.07 -0.57 0.00 0.00 179.45 179.09 2b98 h LEU 52 N 0.49 1.05 -0.16 2.94 4.07 -0.95 0.32 115.31 123.07 2b98 h LEU 52 Ca 0.26 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 2b98 h LEU 52 Cb 0.22 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 2b98 h LEU 52 CO -0.21 1.08 0.04 -0.07 -1.08 0.00 0.00 178.44 178.20 2b98 h LEU 53 N 1.00 0.25 0.00 1.67 3.38 -0.79 -2.50 115.31 118.32 2b98 h LEU 53 Ca 0.19 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2b98 h LEU 53 Cb 0.51 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2b98 h LEU 53 CO 0.02 0.42 -1.58 -0.62 0.09 0.00 0.00 178.44 176.77 2b98 n GLU 54 N -4.81 0.63 -0.03 1.13 1.02 0.69 -3.70 120.64 115.58 2b98 n GLU 54 Ca -0.05 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2b98 n GLU 54 Cb 0.17 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 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 -2.73 2.44 -0.28 3.49 1.02 0.11 -4.65 120.64 120.04 2b98 n GLU 55 Ca -0.10 -0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.10 2b98 n GLU 55 Cb 0.80 -1.18 0.23 0.00 -0.02 0.00 0.00 31.44 31.27 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 -2.17 2.87 -2.57 3.49 -0.58 -0.98 -5.00 120.64 115.70 2b98 n GLU 56 Ca -0.10 -2.34 -0.18 0.00 -0.42 0.00 0.00 57.16 54.12 2b98 n GLU 56 Cb 0.63 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.93 -0.35 3.71 0.62 0.00 -1.15 -4.96 105.19 103.99 2b98 n GLY 57 Ca 0.17 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 6.81 0.06 -5.11 0.00 3.45 -0.91 -3.41 116.42 117.31 2b98 h ASP 59 Ca -0.41 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 2b98 h ASP 59 Cb 1.22 -0.02 -0.14 0.00 -0.56 0.00 0.00 39.33 39.83 2b98 h ASP 59 CO 0.78 0.72 -0.21 -0.51 -1.57 0.00 0.00 179.24 178.45 2b98 s ILE 60 N -3.50 0.10 0.07 0.35 2.07 -1.17 -4.48 121.20 114.65 2b98 s ILE 60 Ca -0.02 -0.83 0.05 0.00 -1.41 0.00 0.00 60.65 58.45 2b98 s ILE 60 Cb 0.12 -1.21 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 2b98 s ILE 60 CO 0.78 -0.46 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.52 2b98 s VAL 61 N -3.68 1.10 -0.17 4.00 1.01 -1.04 -1.54 120.40 120.08 2b98 s VAL 61 Ca 0.03 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 2b98 s VAL 61 Cb 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2b98 s VAL 61 CO -0.11 -0.22 -0.02 -0.04 0.00 0.00 0.00 175.10 174.72 2b98 s MET 62 N -1.71 3.68 -0.27 2.72 -1.94 0.14 -0.69 119.30 121.24 2b98 s MET 62 Ca -0.02 -0.50 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 2b98 s MET 62 Cb -0.10 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.77 2b98 s MET 62 CO 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 175.02 175.21 2b98 s ALA 63 N 0.56 2.87 -0.10 3.03 0.00 -0.46 -1.01 121.76 126.65 2b98 s ALA 63 Ca -0.02 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.52 2b98 s ALA 63 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2b98 s ALA 63 CO 0.02 -0.82 -0.12 -0.51 0.00 0.00 0.00 175.76 174.33 2b98 s LEU 64 N 1.42 2.83 -0.03 0.00 1.43 0.01 0.59 118.68 124.94 2b98 s LEU 64 Ca 0.02 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 2b98 s LEU 64 Cb -0.17 -1.62 0.09 0.00 0.03 0.00 0.00 46.19 44.52 2b98 s LEU 64 CO -0.01 0.24 0.78 -0.83 0.23 0.00 0.00 176.35 176.75 2b98 s GLY 65 N -0.07 -0.49 -0.53 -3.19 0.00 -0.70 -4.14 107.32 98.20 2b98 s GLY 65 Ca -0.02 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.01 2b98 s GLY 65 CO 0.04 0.71 0.30 1.06 0.00 0.00 0.00 173.10 175.21 2b98 s MET 66 N -2.00 1.82 0.77 2.90 -1.94 -1.26 -1.14 119.30 118.44 2b98 s MET 66 Ca -0.04 -2.56 -0.15 0.00 -1.71 0.00 0.00 55.69 51.24 2b98 s MET 66 Cb -0.00 -2.98 0.05 0.00 2.01 0.00 0.00 34.83 33.91 2b98 s MET 66 CO 0.00 -1.17 1.18 -2.30 -0.01 0.00 0.00 175.02 172.73 2b98 n PRO 67 N 3.02 0.40 -1.52 2.03 -0.02 -1.22 -4.80 135.00 132.90 2b98 n PRO 67 Ca 0.10 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 2b98 n PRO 67 Cb 0.34 -2.42 0.18 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.70 -1.68 0.07 -1.23 0.00 -1.26 -1.51 105.19 100.29 2b98 n GLY 68 Ca 0.14 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.57 2b98 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b98 n LYS 69 N -3.60 0.63 -1.30 1.61 5.02 -1.26 -4.35 118.16 114.91 2b98 n LYS 69 Ca 0.14 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 56.12 2b98 n LYS 69 Cb 0.50 -1.70 0.10 0.00 -0.02 0.00 0.00 35.03 33.92 2b98 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b98 s ALA 70 N -3.28 2.03 0.66 7.82 0.00 -1.26 -4.87 121.76 122.86 2b98 s ALA 70 Ca -0.04 0.75 0.43 0.00 0.00 0.00 0.00 51.96 53.09 2b98 s ALA 70 Cb 0.11 -3.44 2.35 0.00 0.00 0.00 0.00 23.12 22.14 2b98 s ALA 70 CO 0.84 -1.99 2.35 1.05 0.00 0.00 0.00 175.76 178.01 2b98 h GLU 71 N -0.64 0.00 0.00 0.00 4.11 -2.01 -1.06 114.58 114.97 2b98 h GLU 71 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2b98 h GLU 71 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2b98 h GLU 71 CO 0.49 0.00 -0.82 -0.22 0.07 0.00 0.00 179.01 178.52 2b98 h LYS 72 N 0.00 0.00 0.02 1.06 3.64 -1.97 -3.27 116.57 116.05 2b98 h LYS 72 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2b98 h LYS 72 Cb 0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2b98 h LYS 72 CO -0.00 0.00 -0.96 -0.44 -2.27 0.00 0.00 179.45 175.78 2b98 h ASP 73 N 0.00 0.23 -0.37 4.20 3.45 -1.50 -3.06 116.42 119.36 2b98 h ASP 73 Ca 0.00 -0.21 -0.10 0.00 0.43 0.00 0.00 57.03 57.15 2b98 h ASP 73 Cb 0.92 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.60 2b98 h ASP 73 CO 0.00 1.06 -0.13 0.11 -1.57 0.00 0.00 179.24 178.71 2b98 h LYS 74 N 0.08 0.83 -0.25 3.56 1.57 -1.55 -1.79 116.57 119.02 2b98 h LYS 74 Ca -0.05 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2b98 h LYS 74 Cb 1.63 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2b98 h LYS 74 CO 0.14 0.91 0.02 0.28 -0.57 0.00 0.00 179.45 180.24 2b98 h VAL 75 N 0.74 1.24 -0.15 0.50 2.07 -1.64 -0.44 116.25 118.58 2b98 h VAL 75 Ca 0.12 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2b98 h VAL 75 Cb 0.63 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2b98 h VAL 75 CO 0.04 0.26 -0.02 0.00 0.02 0.00 0.00 177.57 177.88 2b98 h ALA 77 N 1.14 0.63 -0.70 0.00 0.00 -1.33 0.88 119.26 119.89 2b98 h ALA 77 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2b98 h ALA 77 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2b98 h ALA 77 CO -0.14 -0.04 0.28 1.25 0.00 0.00 0.00 179.25 180.60 2b98 h HIS 78 N 0.55 1.04 0.17 0.00 6.17 -0.77 0.15 115.15 122.46 2b98 h HIS 78 Ca 0.21 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.22 2b98 h HIS 78 Cb 0.06 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.67 2b98 h HIS 78 CO -0.08 0.79 -0.15 0.93 0.71 0.00 0.00 177.93 180.13 2b98 h GLU 79 N 1.01 -0.33 -0.53 5.26 5.08 0.80 -2.60 114.58 123.28 2b98 h GLU 79 Ca 0.24 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2b98 h GLU 79 Cb 0.19 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2b98 h GLU 79 CO -0.02 -0.22 0.30 0.00 -1.00 0.00 0.00 179.01 178.07 2b98 h ALA 80 N 0.46 0.67 -0.91 3.43 0.00 -0.49 -2.33 119.26 120.09 2b98 h ALA 80 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2b98 h ALA 80 Cb 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2b98 h ALA 80 CO -0.03 0.18 0.60 0.77 0.00 0.00 0.00 179.25 180.77 2b98 h SER 81 N 0.70 0.96 -0.21 0.00 0.02 -0.71 -0.23 113.55 114.08 2b98 h SER 81 Ca 0.19 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2b98 h SER 81 Cb 0.03 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2b98 h SER 81 CO -0.03 0.65 0.04 -0.07 -1.14 0.00 0.00 176.83 176.27 2b98 h LEU 82 N 1.11 0.34 -0.66 5.07 3.38 -1.19 -1.48 115.31 121.87 2b98 h LEU 82 Ca 0.37 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.18 2b98 h LEU 82 Cb 0.08 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2b98 h LEU 82 CO -0.12 0.50 0.31 1.23 0.09 0.00 0.00 178.44 180.45 2b98 h GLY 83 N 0.16 0.97 1.01 0.83 0.00 -0.96 0.71 103.07 105.79 2b98 h GLY 83 Ca 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2b98 h GLY 83 CO 0.00 0.04 0.58 1.41 0.00 0.00 0.00 176.54 178.57 2b98 h LEU 84 N 0.53 1.00 -0.32 3.11 3.38 -0.84 0.28 115.31 122.45 2b98 h LEU 84 Ca 0.33 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 2b98 h LEU 84 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2b98 h LEU 84 CO -0.27 0.72 -0.27 -0.03 0.09 0.00 0.00 178.44 178.69 2b98 h MET 85 N 1.18 0.75 -0.01 1.13 4.05 -0.67 -2.09 114.93 119.27 2b98 h MET 85 Ca 0.32 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2b98 h MET 85 Cb -0.14 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2b98 h MET 85 CO -0.07 1.00 -0.01 -0.07 0.23 0.00 0.00 176.91 177.98 2b98 h LEU 86 N 0.51 -0.04 -0.98 3.39 3.38 -0.48 -1.91 115.31 119.17 2b98 h LEU 86 Ca 0.06 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.19 2b98 h LEU 86 Cb 0.83 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 2b98 h LEU 86 CO 0.07 -0.02 0.60 0.00 0.09 0.00 0.00 178.44 179.18 2b98 h ALA 87 N 0.98 1.56 -0.31 1.53 0.00 -0.38 -1.27 119.26 121.37 2b98 h ALA 87 Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2b98 h ALA 87 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2b98 h ALA 87 CO -0.02 0.06 -0.03 1.96 0.00 0.00 0.00 179.25 181.22 2b98 h GLN 88 N 0.84 0.56 0.00 0.00 4.20 -1.15 -2.57 115.11 117.00 2b98 h GLN 88 Ca 0.53 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 2b98 h GLN 88 Cb 0.70 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2b98 h GLN 88 CO -0.33 0.72 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.36 2b98 h LEU 89 N 0.35 0.00 -0.01 1.46 3.38 -0.50 -2.60 115.31 117.39 2b98 h LEU 89 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2b98 h LEU 89 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2b98 h LEU 89 CO 0.02 0.12 -0.33 0.24 0.09 0.00 0.00 178.44 178.58 2b98 h MET 90 N 0.00 0.00 -4.94 1.13 2.86 -1.24 -3.41 114.93 109.34 2b98 h MET 90 Ca -0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2b98 h MET 90 Cb 0.66 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 31.98 2b98 h MET 90 CO 0.02 0.33 -0.85 0.95 1.06 0.00 0.00 176.91 178.41 2b98 s THR 91 N -3.05 1.77 -0.65 2.22 -4.23 -0.97 -5.01 115.64 105.72 2b98 s THR 91 Ca 0.05 -0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 2b98 s THR 91 Cb 0.07 -1.60 -0.09 0.00 1.34 0.00 0.00 72.50 72.22 2b98 s THR 91 CO 0.72 0.49 2.27 0.59 -0.54 0.00 0.00 174.62 178.16 2b98 n ASN 92 N 4.25 4.61 -3.98 3.99 5.03 -1.23 -4.47 115.26 123.45 2b98 n ASN 92 Ca -0.19 -2.26 -0.15 0.00 0.87 0.00 0.00 54.58 52.85 2b98 n ASN 92 Cb 0.51 -1.05 -0.13 0.00 -1.02 0.00 0.00 39.78 38.09 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 2.75 0.42 0.40 3.52 1.02 -1.23 -5.11 119.74 121.52 2b98 s LYS 93 Ca 0.42 -0.34 -0.24 0.00 0.02 0.00 0.00 55.97 55.83 2b98 s LYS 93 Cb 0.14 -0.33 -0.09 0.00 -0.52 0.00 0.00 37.83 37.03 2b98 s LYS 93 CO -0.02 0.08 1.06 -1.01 -0.92 0.00 0.00 175.35 174.54 2b98 s HIS 94 N -0.51 3.24 -0.15 3.18 3.76 -1.26 -4.51 115.29 119.05 2b98 s HIS 94 Ca -0.02 1.64 0.01 0.00 -0.15 0.00 0.00 55.06 56.53 2b98 s HIS 94 Cb -0.04 -3.15 0.02 0.00 1.11 0.00 0.00 32.58 30.52 2b98 s HIS 94 CO -0.00 -0.69 -0.15 0.42 -0.85 0.00 0.00 174.74 173.46 2b98 s ILE 95 N -1.64 1.67 -0.37 0.60 1.01 -1.26 -2.49 121.20 118.72 2b98 s ILE 95 Ca 0.58 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 2b98 s ILE 95 Cb -0.23 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.70 2b98 s ILE 95 CO 0.28 0.48 0.70 -0.63 0.00 0.00 0.00 174.94 175.77 2b98 s ILE 96 N 1.41 4.81 -0.12 2.92 -1.09 0.14 -4.94 121.20 124.33 2b98 s ILE 96 Ca 0.04 0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 58.82 2b98 s ILE 96 Cb -0.13 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2b98 s ILE 96 CO -0.11 -0.40 1.28 -0.70 -1.23 0.00 0.00 174.94 173.78 2b98 s GLU 97 N 2.90 4.26 -0.75 2.79 2.12 -1.26 -1.35 118.70 127.40 2b98 s GLU 97 Ca 0.27 1.71 0.03 0.00 0.36 0.00 0.00 54.97 57.34 2b98 s GLU 97 Cb -0.14 -3.72 0.22 0.00 0.26 0.00 0.00 34.13 30.76 2b98 s GLU 97 CO 0.16 -0.65 0.75 0.28 -0.54 0.00 0.00 175.26 175.26 2b98 n VAL 98 N 5.16 2.55 -3.46 3.70 0.31 0.20 -4.95 118.33 121.84 2b98 n VAL 98 Ca 0.13 -5.16 -0.39 0.00 -0.01 0.00 0.00 64.34 58.91 2b98 n VAL 98 Cb 0.45 -2.18 -0.10 0.00 -0.91 0.00 0.00 33.84 31.10 2b98 n VAL 98 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2b98 s PHE 99 N -1.99 3.23 -0.40 3.52 2.99 -1.26 -1.71 117.98 122.36 2b98 s PHE 99 Ca 0.32 0.13 -0.05 0.00 0.00 0.00 0.00 56.93 57.33 2b98 s PHE 99 Cb 0.04 -2.54 0.09 0.00 0.00 0.00 0.00 43.02 40.61 2b98 s PHE 99 CO -0.07 -0.29 0.20 0.08 -0.00 0.00 0.00 175.22 175.14 2b98 s VAL 100 N 1.94 3.64 0.76 -0.44 1.01 -0.30 -4.97 120.40 122.04 2b98 s VAL 100 Ca 0.11 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.27 2b98 s VAL 100 Cb -0.16 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.94 2b98 s VAL 100 CO 0.11 -0.54 1.12 -1.00 0.00 0.00 0.00 175.10 174.78 2b98 s HIS 101 N 1.27 2.39 0.15 5.22 3.76 -1.26 -3.43 115.29 123.40 2b98 s HIS 101 Ca 0.04 1.60 -0.13 0.00 -0.15 0.00 0.00 55.06 56.42 2b98 s HIS 101 Cb -0.23 -3.17 0.02 0.00 1.11 0.00 0.00 32.58 30.31 2b98 s HIS 101 CO -0.01 -2.00 1.62 0.93 -0.85 0.00 0.00 174.74 174.43 2b98 h GLU 102 N -0.85 0.82 0.00 1.40 4.39 -1.47 -3.08 114.58 115.79 2b98 h GLU 102 Ca -0.45 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.02 2b98 h GLU 102 Cb 1.25 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2b98 h GLU 102 CO 0.50 0.84 0.00 -0.40 -1.16 0.00 0.00 179.01 178.79 2b98 n ASP 103 N -4.40 0.23 0.00 1.42 5.68 -1.26 -3.61 116.55 114.60 2b98 n ASP 103 Ca 0.01 0.56 0.07 0.00 -0.50 0.00 0.00 54.79 54.93 2b98 n ASP 103 Cb 0.27 -0.60 0.34 0.00 -1.14 0.00 0.00 41.12 39.99 2b98 n ASP 103 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2b98 n GLU 104 N -1.75 0.07 -4.23 0.11 1.02 -1.17 -4.70 120.64 110.00 2b98 n GLU 104 Ca 0.03 0.21 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 2b98 n GLU 104 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.86 1.29 0.11 0.62 0.00 -1.24 -5.01 121.76 114.67 2b98 s ALA 105 Ca 0.10 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2b98 s ALA 105 Cb 0.10 0.23 -0.19 0.00 0.00 0.00 0.00 23.12 23.26 2b98 s ALA 105 CO 0.26 -0.21 1.25 0.87 0.00 0.00 0.00 175.76 177.93 2b98 h LYS 106 N 2.80 0.16 0.00 0.00 1.79 -1.88 -3.47 116.57 115.97 2b98 h LYS 106 Ca -0.36 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 57.86 2b98 h LYS 106 Cb 1.19 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2b98 h LYS 106 CO 0.64 1.08 0.00 -0.40 -1.08 0.00 0.00 179.45 179.69 2b98 n ASP 107 N -3.50 0.00 -0.05 0.86 5.68 -1.26 -5.06 116.55 113.22 2b98 n ASP 107 Ca -0.04 -0.69 -0.14 0.00 -0.50 0.00 0.00 54.79 53.42 2b98 n ASP 107 Cb 0.94 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.85 2b98 n ASP 107 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2b98 h ASP 108 N 0.00 0.54 -0.88 -1.12 5.19 -1.98 -2.58 116.42 115.60 2b98 h ASP 108 Ca 0.00 -0.57 0.03 0.00 -0.62 0.00 0.00 57.03 55.87 2b98 h ASP 108 Cb 0.00 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.30 2b98 h ASP 108 CO 0.00 1.01 0.57 0.50 -3.12 0.00 0.00 179.24 178.20 2b98 h LYS 109 N 0.10 1.09 -0.31 3.56 3.64 -2.00 -1.05 116.57 121.60 2b98 h LYS 109 Ca 0.00 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 2b98 h LYS 109 Cb 0.93 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2b98 h LYS 109 CO 0.07 0.72 -0.19 1.49 -2.27 0.00 0.00 179.45 179.27 2b98 h GLU 110 N 1.13 0.68 -0.72 1.90 4.81 -1.98 -2.84 114.58 117.56 2b98 h GLU 110 Ca 0.34 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2b98 h GLU 110 Cb -0.04 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 2b98 h GLU 110 CO -0.10 0.91 0.42 1.25 -0.73 0.00 0.00 179.01 180.76 2b98 h LEU 111 N 0.43 0.64 -0.57 1.64 6.46 -1.07 0.39 115.31 123.23 2b98 h LEU 111 Ca 0.06 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2b98 h LEU 111 Cb 0.74 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2b98 h LEU 111 CO 0.05 0.41 0.19 -0.78 -0.62 0.00 0.00 178.44 177.69 2b98 h ASP 112 N 0.77 0.83 -0.33 1.25 1.82 -1.21 -0.88 116.42 118.67 2b98 h ASP 112 Ca 0.32 -0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 2b98 h ASP 112 Cb 0.18 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2b98 h ASP 112 CO -0.18 0.81 -0.08 -0.25 -1.61 0.00 0.00 179.24 177.93 2b98 h TRP 113 N 0.80 0.71 -0.49 0.28 7.01 -1.17 -1.68 115.95 121.41 2b98 h TRP 113 Ca 0.19 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2b98 h TRP 113 Cb 0.27 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 2b98 h TRP 113 CO 0.02 0.80 0.31 1.25 -2.79 0.00 0.00 178.44 178.03 2b98 h LEU 114 N 0.41 0.58 -0.39 0.65 7.12 -0.14 -0.24 115.31 123.30 2b98 h LEU 114 Ca 0.08 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 2b98 h LEU 114 Cb 0.57 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2b98 h LEU 114 CO 0.03 0.45 0.09 0.00 -0.13 0.00 0.00 178.44 178.88 2b98 h ALA 115 N 1.16 0.52 -0.17 1.25 0.00 -1.11 0.55 119.26 121.46 2b98 h ALA 115 Ca 0.18 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b98 h ALA 115 Cb -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2b98 h ALA 115 CO -0.04 0.20 -0.17 0.87 0.00 0.00 0.00 179.25 180.12 2b98 h LYS 116 N 0.49 -0.19 -0.10 0.00 1.57 -1.20 -1.25 116.57 115.90 2b98 h LYS 116 Ca 0.12 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2b98 h LYS 116 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2b98 h LYS 116 CO 0.00 -0.12 0.01 -0.09 -0.57 0.00 0.00 179.45 178.68 2b98 h ARG 117 N -0.19 0.05 -0.80 3.15 9.65 -0.74 -2.62 114.38 122.87 2b98 h ARG 117 Ca 0.11 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 2b98 h ARG 117 Cb 0.35 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.89 2b98 h ARG 117 CO -0.28 0.03 0.42 -0.09 2.80 0.00 0.00 179.97 182.85 2b98 h ARG 118 N 0.05 1.13 -0.63 0.20 2.43 -0.78 -0.92 114.38 115.85 2b98 h ARG 118 Ca 0.04 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 2b98 h ARG 118 Cb 0.04 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 2b98 h ARG 118 CO -0.06 0.84 0.12 0.00 -1.51 0.00 0.00 179.97 179.36 2b98 h ALA 119 N 1.22 1.04 -0.37 2.80 0.00 -1.16 -1.40 119.26 121.40 2b98 h ALA 119 Ca 0.28 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2b98 h ALA 119 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2b98 h ALA 119 CO -0.04 0.62 -0.03 1.49 0.00 0.00 0.00 179.25 181.29 2b98 h GLU 120 N 0.95 0.67 -0.31 0.00 4.81 -1.16 -2.38 114.58 117.16 2b98 h GLU 120 Ca 0.20 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2b98 h GLU 120 Cb 0.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2b98 h GLU 120 CO 0.01 0.79 -0.37 0.93 -0.73 0.00 0.00 179.01 179.63 2b98 h GLU 121 N 0.48 0.72 -0.02 1.92 5.08 -0.94 -1.60 114.58 120.21 2b98 h GLU 121 Ca 0.10 -0.36 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 2b98 h GLU 121 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2b98 h GLU 121 CO 0.02 0.98 -0.64 0.45 -1.00 0.00 0.00 179.01 178.82 2b98 h HIS 122 N 0.60 0.13 -0.64 4.33 3.86 -1.30 -2.19 115.15 119.93 2b98 h HIS 122 Ca 0.06 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 2b98 h HIS 122 Cb 0.91 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 2b98 h HIS 122 CO 0.05 0.71 0.14 0.00 0.86 0.00 0.00 177.93 179.68 2b98 h ALA 123 N 1.27 1.02 -0.28 2.45 0.00 -1.14 -0.18 119.26 122.40 2b98 h ALA 123 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2b98 h ALA 123 Cb 1.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2b98 h ALA 123 CO 0.09 0.63 0.08 1.49 0.00 0.00 0.00 179.25 181.55 2b98 h GLU 124 N 0.97 0.20 -0.88 0.00 4.81 -1.03 -1.38 114.58 117.27 2b98 h GLU 124 Ca 0.20 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2b98 h GLU 124 Cb 0.37 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2b98 h GLU 124 CO 0.00 0.13 0.50 -0.91 -0.73 0.00 0.00 179.01 178.00 2b98 h ASN 125 N 0.20 1.08 -0.24 1.04 -0.26 -0.89 -0.66 115.58 115.85 2b98 h ASN 125 Ca 0.13 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 2b98 h ASN 125 Cb 0.11 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2b98 h ASN 125 CO -0.15 0.85 0.15 0.58 -1.06 0.00 0.00 177.43 177.81 2b98 h VAL 126 N 1.22 1.05 -0.23 2.81 2.07 -0.83 -0.29 116.25 122.06 2b98 h VAL 126 Ca 0.31 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.78 2b98 h VAL 126 Cb -0.00 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2b98 h VAL 126 CO -0.05 0.06 -0.11 0.22 0.02 0.00 0.00 177.57 177.71 2b98 h TYR 127 N 0.31 -0.25 -0.22 1.57 3.20 -0.38 -1.47 116.97 119.73 2b98 h TYR 127 Ca 0.09 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2b98 h TYR 127 Cb -0.03 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2b98 h TYR 127 CO -0.07 -0.16 0.11 1.88 -1.64 0.00 0.00 178.16 178.28 2b98 h TYR 128 N -0.08 0.21 -0.38 -3.82 0.05 -0.94 -0.20 116.97 111.82 2b98 h TYR 128 Ca 0.12 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.95 2b98 h TYR 128 Cb 0.26 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2b98 h TYR 128 CO -0.28 0.12 0.25 -0.07 -1.05 0.00 0.00 178.16 177.14 2b98 h LEU 129 N 0.24 0.30 0.12 3.88 3.38 -0.85 0.17 115.31 122.55 2b98 h LEU 129 Ca 0.09 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 2b98 h LEU 129 Cb 0.02 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.72 2b98 h LEU 129 CO -0.06 0.20 -0.84 -0.07 0.09 0.00 0.00 178.44 177.77 2b98 h LEU 130 N 0.34 0.53 0.00 1.67 4.07 -0.79 -3.42 115.31 117.70 2b98 h LEU 130 Ca 0.16 -0.91 -0.02 0.00 0.08 0.00 0.00 57.88 57.20 2b98 h LEU 130 Cb 0.21 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2b98 h LEU 130 CO -0.04 1.39 -1.06 0.49 -1.08 0.00 0.00 178.44 178.14 2b98 n PHE 131 N -4.10 0.00 -3.21 1.13 3.01 -0.13 -4.86 117.46 109.30 2b98 n PHE 131 Ca -0.13 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.08 2b98 n PHE 131 Cb 0.82 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 40.17 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 -1.98 0.82 0.19 -1.08 0.00 0.54 -4.97 118.16 111.67 2b98 n LYS 132 Ca -0.01 -3.31 0.09 0.00 0.00 0.00 0.00 58.31 55.08 2b98 n LYS 132 Cb 0.47 -1.28 0.62 0.00 0.00 0.00 0.00 35.03 34.84 2b98 n LYS 132 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2b98 h PRO 133 N 4.02 0.08 0.00 1.64 0.11 -1.62 -0.23 132.00 136.00 2b98 h PRO 133 Ca 0.08 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2b98 h PRO 133 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2b98 h PRO 133 CO 0.48 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 2b98 n GLU 134 N -4.51 0.33 0.12 1.05 4.71 -1.26 -2.56 120.64 118.52 2b98 n GLU 134 Ca -0.00 0.03 0.03 0.00 -0.01 0.00 0.00 57.16 57.21 2b98 n GLU 134 Cb 0.16 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.10 2b98 n GLU 134 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 2b98 h TYR 135 N 0.00 0.00 -0.03 -0.32 3.20 -1.38 -3.13 116.97 115.31 2b98 h TYR 135 Ca 0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 2b98 h TYR 135 Cb 0.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2b98 h TYR 135 CO 0.00 0.46 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.26 2b98 h LEU 136 N 0.00 0.16 -0.94 2.82 3.38 -1.59 -3.24 115.31 115.91 2b98 h LEU 136 Ca -0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2b98 h LEU 136 Cb 1.38 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2b98 h LEU 136 CO 0.05 0.76 0.13 0.74 0.09 0.00 0.00 178.44 180.22 2b98 h THR 137 N 0.10 1.24 -0.46 0.22 2.02 -1.59 -2.67 112.91 111.76 2b98 h THR 137 Ca -0.01 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.33 2b98 h THR 137 Cb 1.17 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 2b98 h THR 137 CO 0.09 0.33 0.31 -0.09 0.37 0.00 0.00 175.52 176.53 2b98 h ARG 138 N 0.87 0.47 -0.54 6.66 2.43 -1.56 -0.77 114.38 121.95 2b98 h ARG 138 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2b98 h ARG 138 Cb 0.33 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2b98 h ARG 138 CO 0.00 0.31 0.00 -1.33 -1.51 0.00 0.00 179.97 177.44 2b98 n MET 139 N -4.48 4.36 -2.06 0.20 2.81 -1.07 -5.00 117.12 111.88 2b98 n MET 139 Ca 0.05 -3.05 -0.42 0.00 -1.81 0.00 0.00 57.70 52.47 2b98 n MET 139 Cb 0.17 -2.12 -0.03 0.00 -0.71 0.00 0.00 33.22 30.53 2b98 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b98 s ALA 140 N -2.57 3.63 0.41 3.04 0.00 -0.30 -4.71 121.76 121.27 2b98 s ALA 140 Ca 0.52 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2b98 s ALA 140 Cb 0.38 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2b98 s ALA 140 CO 0.17 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2b98 n GLY 141 N 2.70 -4.11 2.89 0.00 0.00 -1.26 -5.08 105.19 100.32 2b98 n GLY 141 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2b98 n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49