#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b99 n LYS 3 N 0.00 1.59 -4.41 -0.78 4.81 -1.26 -4.94 118.16 113.17 2b99 n LYS 3 Ca 0.00 -1.31 -0.23 0.00 -0.87 0.00 0.00 58.31 55.91 2b99 n LYS 3 Cb 0.00 -1.47 -0.16 0.00 0.02 0.00 0.00 35.03 33.41 2b99 n LYS 3 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2b99 s LYS 4 N -2.31 1.34 -0.02 1.64 2.20 -1.26 -0.05 119.74 121.28 2b99 s LYS 4 Ca 0.22 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.61 2b99 s LYS 4 Cb 0.19 -1.17 -0.02 0.00 -1.51 0.00 0.00 37.83 35.32 2b99 s LYS 4 CO 0.48 -0.02 -0.21 0.08 -0.36 0.00 0.00 175.35 175.32 2b99 s VAL 5 N 0.76 1.69 -0.11 4.02 1.01 0.15 -1.25 120.40 126.67 2b99 s VAL 5 Ca -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2b99 s VAL 5 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2b99 s VAL 5 CO 0.02 0.48 -0.01 -0.83 0.00 0.00 0.00 175.10 174.76 2b99 s GLY 6 N -0.50 1.81 -0.19 4.51 0.00 -0.35 -1.58 107.32 111.03 2b99 s GLY 6 Ca 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2b99 s GLY 6 CO -0.01 -0.41 -0.12 -0.42 0.00 0.00 0.00 173.10 172.15 2b99 s ILE 7 N -0.49 1.66 -0.18 0.90 1.01 0.55 -0.31 121.20 124.34 2b99 s ILE 7 Ca 0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 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 0.25 -0.13 -0.69 0.00 0.00 0.00 174.94 174.39 2b99 s VAL 8 N 1.40 2.76 0.11 2.92 1.01 -0.11 -1.76 120.40 126.74 2b99 s VAL 8 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2b99 s VAL 8 Cb -0.15 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2b99 s VAL 8 CO -0.09 0.49 0.03 -0.90 0.00 0.00 0.00 175.10 174.63 2b99 n ASP 9 N 4.40 1.42 -4.29 3.32 3.85 -0.85 -0.46 116.55 123.93 2b99 n ASP 9 Ca -0.19 -1.54 -0.15 0.00 -0.71 0.00 0.00 54.79 52.20 2b99 n ASP 9 Cb 0.51 0.20 -0.10 0.00 -1.35 0.00 0.00 41.12 40.38 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 -1.77 0.83 -0.52 2.12 -4.23 -1.25 -1.49 115.64 109.34 2b99 s THR 10 Ca 0.04 -2.01 0.23 0.00 -1.18 0.00 0.00 61.69 58.77 2b99 s THR 10 Cb 0.00 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2b99 s THR 10 CO 0.03 -0.36 1.20 0.71 -0.54 0.00 0.00 174.62 175.65 2b99 h THR 11 N 2.56 0.00 -0.16 3.99 1.35 -0.83 -3.34 112.91 116.49 2b99 h THR 11 Ca -0.38 -0.64 -0.22 0.00 -0.55 0.00 0.00 66.41 64.62 2b99 h THR 11 Cb 1.22 1.16 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 2b99 h THR 11 CO 0.63 0.00 -0.77 0.15 -0.25 0.00 0.00 175.52 175.28 2b99 h PHE 12 N 0.00 1.05 -2.93 4.73 3.57 -1.47 -3.45 116.94 118.43 2b99 h PHE 12 Ca 0.00 -0.46 -0.58 0.00 3.53 0.00 0.00 57.97 60.46 2b99 h PHE 12 Cb 0.82 -0.16 0.11 0.00 2.79 0.00 0.00 35.95 39.51 2b99 h PHE 12 CO 0.00 1.29 0.33 0.00 -2.23 0.00 0.00 178.31 177.70 2b99 n ALA 13 N -2.60 0.59 0.72 2.41 0.00 -1.26 -4.89 120.51 115.49 2b99 n ALA 13 Ca -0.07 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.84 2b99 n ALA 13 Cb 0.74 -2.14 0.28 0.00 0.00 0.00 0.00 19.45 18.33 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 0.61 2.11 -3.87 0.00 1.74 -1.26 -4.84 116.66 111.15 2b99 n ARG 14 Ca 0.07 -1.68 -0.14 0.00 -0.77 0.00 0.00 57.85 55.33 2b99 n ARG 14 Cb 0.34 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.59 0.03 -0.68 1.55 1.01 -1.26 -5.02 120.40 114.44 2b99 s VAL 15 Ca 0.35 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2b99 s VAL 15 Cb 0.19 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.54 2b99 s VAL 15 CO 0.27 0.05 1.17 -0.62 0.00 0.00 0.00 175.10 175.97 2b99 s ASP 16 N 0.38 6.23 0.09 3.32 3.68 -1.26 -4.84 116.67 124.27 2b99 s ASP 16 Ca -0.03 -0.45 0.21 0.00 2.13 0.00 0.00 52.55 54.41 2b99 s ASP 16 Cb -0.05 -2.52 -0.15 0.00 -1.45 0.00 0.00 42.92 38.75 2b99 s ASP 16 CO -0.01 -1.65 0.78 0.23 0.13 0.00 0.00 175.17 174.65 2b99 n MET 17 N 8.72 0.63 -0.13 4.34 2.81 -1.26 -4.46 117.12 127.77 2b99 n MET 17 Ca 0.03 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 2b99 n MET 17 Cb 0.48 -1.71 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.89 0.50 -0.46 3.04 0.00 -1.98 -2.99 119.26 119.25 2b99 h ALA 18 Ca -0.04 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2b99 h ALA 18 Cb 1.13 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2b99 h ALA 18 CO 0.01 0.09 0.14 0.77 0.00 0.00 0.00 179.25 180.26 2b99 h SER 19 N 0.47 0.12 -0.72 0.00 0.02 -2.00 -0.66 113.55 110.78 2b99 h SER 19 Ca 0.13 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2b99 h SER 19 Cb 0.17 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2b99 h SER 19 CO -0.01 0.10 0.32 0.40 -1.14 0.00 0.00 176.83 176.50 2b99 h ILE 20 N 0.30 1.24 0.16 3.27 1.08 -1.81 -1.65 117.51 120.10 2b99 h ILE 20 Ca 0.22 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2b99 h ILE 20 Cb 0.24 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2b99 h ILE 20 CO -0.24 0.30 -0.08 0.00 -0.69 0.00 0.00 178.15 177.44 2b99 h ALA 21 N 1.29 -0.22 -0.54 1.87 0.00 -1.28 -2.35 119.26 118.03 2b99 h ALA 21 Ca 0.25 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2b99 h ALA 21 Cb 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2b99 h ALA 21 CO -0.03 -0.46 0.24 0.82 0.00 0.00 0.00 179.25 179.83 2b99 h ILE 22 N -0.55 0.89 -0.66 0.00 2.04 -1.06 -0.78 117.51 117.39 2b99 h ILE 22 Ca -0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2b99 h ILE 22 Cb 0.42 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2b99 h ILE 22 CO 0.04 0.08 0.34 0.50 0.00 0.00 0.00 178.15 179.11 2b99 h LYS 23 N 0.46 0.93 -0.39 2.37 3.64 -1.32 -1.33 116.57 120.94 2b99 h LYS 23 Ca 0.25 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2b99 h LYS 23 Cb 0.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2b99 h LYS 23 CO -0.21 0.70 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.15 2b99 h LYS 24 N 0.93 0.88 -0.20 1.90 1.63 -0.72 -2.09 116.57 118.91 2b99 h LYS 24 Ca 0.23 -0.44 -0.04 0.00 -0.85 0.00 0.00 60.65 59.56 2b99 h LYS 24 Cb 0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2b99 h LYS 24 CO -0.03 1.08 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.95 2b99 h LEU 25 N 0.69 0.36 -1.98 5.20 3.38 -0.82 -1.94 115.31 120.21 2b99 h LEU 25 Ca 0.07 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2b99 h LEU 25 Cb 0.88 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2b99 h LEU 25 CO 0.08 0.62 -0.10 0.11 0.09 0.00 0.00 178.44 179.24 2b99 h LYS 26 N 0.10 0.00 -0.03 1.13 1.57 -1.27 0.51 116.57 118.58 2b99 h LYS 26 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2b99 h LYS 26 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2b99 h LYS 26 CO 0.02 0.10 -0.02 1.49 -0.57 0.00 0.00 179.45 180.46 2b99 h GLU 27 N 0.00 0.07 -0.13 3.15 4.81 -1.06 -0.77 114.58 120.65 2b99 h GLU 27 Ca -0.00 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2b99 h GLU 27 Cb 0.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2b99 h GLU 27 CO 0.01 0.49 -0.68 -0.07 -0.73 0.00 0.00 179.01 178.03 2b99 h LEU 28 N -0.36 0.62 -6.63 1.64 3.38 -0.72 -3.39 115.31 109.85 2b99 h LEU 28 Ca 0.01 -0.38 -0.59 0.00 0.09 0.00 0.00 57.88 57.01 2b99 h LEU 28 Cb 0.47 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 40.65 2b99 h LEU 28 CO 0.01 1.13 -0.85 -0.55 0.09 0.00 0.00 178.44 178.27 2b99 s SER 29 N -6.98 2.84 0.47 -0.43 0.15 0.17 -5.02 113.70 104.90 2b99 s SER 29 Ca -0.07 -2.49 0.26 0.00 0.70 0.00 0.00 55.95 54.36 2b99 s SER 29 Cb 0.10 -0.56 1.31 0.00 -1.71 0.00 0.00 66.02 65.16 2b99 s SER 29 CO 0.85 -0.27 1.80 -0.65 1.20 0.00 0.00 173.24 176.18 2b99 h PRO 30 N 6.65 0.20 -0.33 5.44 0.11 -1.33 -1.51 132.00 141.22 2b99 h PRO 30 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2b99 h PRO 30 Cb 0.94 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2b99 h PRO 30 CO 0.34 0.13 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 2b99 n ASN 31 N -4.42 3.28 -4.75 -2.05 3.02 -1.26 -4.93 115.26 104.14 2b99 n ASN 31 Ca 0.24 -1.95 -0.39 0.00 -0.03 0.00 0.00 54.58 52.45 2b99 n ASN 31 Cb 1.01 -0.21 0.03 0.00 -0.61 0.00 0.00 39.78 40.01 2b99 n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2b99 s ILE 32 N -1.44 2.06 -0.16 2.41 2.07 -0.57 -4.96 121.20 120.61 2b99 s ILE 32 Ca 0.35 0.05 -0.18 0.00 -1.41 0.00 0.00 60.65 59.46 2b99 s ILE 32 Cb 0.21 -3.03 -0.04 0.00 0.13 0.00 0.00 42.46 39.73 2b99 s ILE 32 CO 0.29 0.00 0.47 -0.54 -1.91 0.00 0.00 174.94 173.25 2b99 s LYS 33 N -2.77 4.27 -0.02 3.50 1.02 0.92 -4.98 119.74 121.68 2b99 s LYS 33 Ca 0.68 0.39 0.06 0.00 0.02 0.00 0.00 55.97 57.12 2b99 s LYS 33 Cb -0.42 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 2b99 s LYS 33 CO 0.50 0.04 -0.19 0.42 -0.92 0.00 0.00 175.35 175.20 2b99 s ILE 34 N 1.03 1.53 -0.03 2.17 -1.09 -1.26 0.29 121.20 123.84 2b99 s ILE 34 Ca 0.24 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 2b99 s ILE 34 Cb -0.15 -1.28 -0.00 0.00 -1.58 0.00 0.00 42.46 39.45 2b99 s ILE 34 CO 0.09 0.43 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.48 2b99 s ILE 35 N -0.41 1.06 0.21 2.92 -1.09 -0.62 -4.98 121.20 118.30 2b99 s ILE 35 Ca 0.06 -0.52 0.09 0.00 -2.23 0.00 0.00 60.65 58.05 2b99 s ILE 35 Cb -0.08 -0.92 -0.04 0.00 -1.58 0.00 0.00 42.46 39.84 2b99 s ILE 35 CO -0.00 0.31 -0.06 -0.13 -1.23 0.00 0.00 174.94 173.83 2b99 s ARG 36 N 0.07 2.16 -0.22 2.79 0.52 -1.26 -0.33 118.95 122.67 2b99 s ARG 36 Ca -0.02 -1.32 -0.13 0.00 -0.52 0.00 0.00 55.73 53.74 2b99 s ARG 36 Cb -0.09 -2.16 0.07 0.00 0.52 0.00 0.00 34.95 33.28 2b99 s ARG 36 CO 0.01 0.41 0.55 0.21 0.02 0.00 0.00 175.30 176.49 2b99 s LYS 37 N -3.16 0.55 -0.10 3.54 2.20 -0.72 -4.94 119.74 117.10 2b99 s LYS 37 Ca 0.28 0.99 0.02 0.00 -0.36 0.00 0.00 55.97 56.90 2b99 s LYS 37 Cb -0.08 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2b99 s LYS 37 CO 0.17 -0.15 -0.14 0.99 -0.36 0.00 0.00 175.35 175.86 2b99 s THR 38 N 1.47 2.99 0.39 3.43 2.01 -1.26 -2.00 115.64 122.67 2b99 s THR 38 Ca -0.09 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2b99 s THR 38 Cb -0.07 -2.22 -0.08 0.00 0.01 0.00 0.00 72.50 70.15 2b99 s THR 38 CO -0.16 0.55 0.02 0.68 -0.69 0.00 0.00 174.62 175.02 2b99 s VAL 39 N -0.07 1.83 0.10 3.82 -7.23 -0.55 -4.98 120.40 113.31 2b99 s VAL 39 Ca -0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2b99 s VAL 39 Cb -0.14 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 33.74 2b99 s VAL 39 CO 0.04 -0.00 1.62 -0.65 -0.31 0.00 0.00 175.10 175.80 2b99 h PRO 40 N 1.85 -0.60 0.00 4.82 0.11 -1.94 -1.88 132.00 134.36 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 0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 2b99 h PRO 40 CO 0.78 -0.40 0.01 0.41 -0.21 0.00 0.00 178.00 178.59 2b99 n GLY 41 N -1.43 2.37 0.36 -0.55 0.00 -1.26 -1.35 105.19 103.33 2b99 n GLY 41 Ca -0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.04 -0.48 0.83 -0.61 2.08 -1.26 -0.47 119.36 119.40 2b99 n ILE 42 Ca -0.00 2.17 0.09 0.00 0.56 0.00 0.00 62.75 65.56 2b99 n ILE 42 Cb 0.05 -2.87 0.45 0.00 -0.75 0.00 0.00 39.64 36.52 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 -5.37 0.22 0.00 0.38 5.02 -1.26 -2.44 118.16 114.71 2b99 n LYS 43 Ca 0.10 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 2b99 n LYS 43 Cb 0.37 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.32 1.36 -0.05 4.39 10.43 0.38 -4.50 116.55 127.24 2b99 n ASP 44 Ca 0.08 -1.08 -0.12 0.00 2.57 0.00 0.00 54.79 56.23 2b99 n ASP 44 Cb 0.16 0.44 -0.07 0.00 1.84 0.00 0.00 41.12 43.49 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 1.34 0.26 -0.47 0.64 3.38 -1.46 -3.28 115.31 115.73 2b99 h LEU 45 Ca 0.00 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2b99 h LEU 45 Cb 0.60 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 2b99 h LEU 45 CO 0.00 0.58 -0.48 -0.65 0.09 0.00 0.00 178.44 177.98 2b99 h PRO 46 N -0.05 -0.30 0.00 1.13 0.11 -1.79 0.32 132.00 131.41 2b99 h PRO 46 Ca 0.03 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 2b99 h PRO 46 Cb 0.47 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 2b99 h PRO 46 CO 0.01 -0.20 -0.33 0.28 -0.21 0.00 0.00 178.00 177.56 2b99 h VAL 47 N -0.32 0.99 -0.29 3.15 2.07 -1.89 -0.03 116.25 119.94 2b99 h VAL 47 Ca 0.13 -1.23 -0.16 0.00 0.82 0.00 0.00 66.70 66.26 2b99 h VAL 47 Cb 0.58 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2b99 h VAL 47 CO -0.62 0.32 -0.46 0.00 0.02 0.00 0.00 177.57 176.83 2b99 h ALA 48 N 1.67 0.44 -0.51 1.67 0.00 -1.39 -0.61 119.26 120.54 2b99 h ALA 48 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2b99 h ALA 48 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2b99 h ALA 48 CO 0.04 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.92 2b99 h LYS 50 N 0.74 0.74 -0.72 0.00 3.64 -0.90 -1.66 116.57 118.41 2b99 h LYS 50 Ca 0.15 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2b99 h LYS 50 Cb 0.47 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2b99 h LYS 50 CO 0.02 0.69 0.37 0.87 -2.27 0.00 0.00 179.45 179.13 2b99 h LYS 51 N 0.64 1.00 -0.38 1.90 1.57 -1.04 -0.33 116.57 119.94 2b99 h LYS 51 Ca 0.16 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2b99 h LYS 51 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2b99 h LYS 51 CO -0.01 0.76 0.01 -0.07 -0.57 0.00 0.00 179.45 179.57 2b99 h LEU 52 N 1.01 0.65 -0.70 2.94 4.07 -1.10 0.87 115.31 123.04 2b99 h LEU 52 Ca 0.25 -0.30 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 2b99 h LEU 52 Cb 0.07 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2b99 h LEU 52 CO -0.04 0.79 0.06 -0.07 -1.08 0.00 0.00 178.44 178.11 2b99 h LEU 53 N 0.49 1.03 0.00 1.67 3.38 -0.86 -2.26 115.31 118.76 2b99 h LEU 53 Ca 0.11 -0.26 -0.26 0.00 0.09 0.00 0.00 57.88 57.56 2b99 h LEU 53 Cb 0.45 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2b99 h LEU 53 CO 0.02 1.04 -1.99 -0.62 0.09 0.00 0.00 178.44 176.97 2b99 n GLU 54 N -4.20 0.66 -0.00 1.13 1.02 -0.17 -3.97 120.64 115.10 2b99 n GLU 54 Ca 0.04 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.31 2b99 n GLU 54 Cb 0.31 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.76 1.47 -0.03 3.49 1.02 0.30 -4.60 120.64 119.54 2b99 n GLU 55 Ca -0.21 -0.07 0.01 0.00 -0.02 0.00 0.00 57.16 56.88 2b99 n GLU 55 Cb 0.99 -1.20 0.03 0.00 -0.02 0.00 0.00 31.44 31.23 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 -1.66 2.02 -1.37 3.49 -0.58 -0.89 -4.99 120.64 116.66 2b99 n GLU 56 Ca -0.00 -1.36 -0.11 0.00 -0.42 0.00 0.00 57.16 55.27 2b99 n GLU 56 Cb 0.27 -1.05 -0.04 0.00 -0.57 0.00 0.00 31.44 30.04 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 -0.19 1.13 3.75 0.62 0.00 -1.16 -4.99 105.19 104.35 2b99 n GLY 57 Ca 0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 4.42 0.00 -5.04 0.00 5.19 -1.51 -3.42 116.42 116.07 2b99 h ASP 59 Ca -0.46 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 0.79 0.03 -0.51 -3.12 0.00 0.00 179.24 177.14 2b99 s ILE 60 N -2.80 0.04 0.02 0.35 2.07 -1.22 -4.50 121.20 115.16 2b99 s ILE 60 Ca 0.01 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 58.93 2b99 s ILE 60 Cb 0.09 -1.07 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 2b99 s ILE 60 CO 0.79 -0.19 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.87 2b99 s VAL 61 N -3.45 0.52 -0.16 4.00 1.01 -1.00 -1.21 120.40 120.12 2b99 s VAL 61 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2b99 s VAL 61 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2b99 s VAL 61 CO -0.10 -0.18 -0.04 -0.04 0.00 0.00 0.00 175.10 174.74 2b99 s MET 62 N -1.02 3.62 -0.25 2.72 -1.94 0.58 -0.23 119.30 122.79 2b99 s MET 62 Ca -0.05 -0.54 -0.05 0.00 -1.71 0.00 0.00 55.69 53.34 2b99 s MET 62 Cb -0.07 -2.92 -0.01 0.00 2.01 0.00 0.00 34.83 33.85 2b99 s MET 62 CO 0.00 0.18 0.01 0.00 -0.01 0.00 0.00 175.02 175.20 2b99 s ALA 63 N 0.51 2.94 -0.23 3.03 0.00 -0.40 -0.93 121.76 126.68 2b99 s ALA 63 Ca -0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 2b99 s ALA 63 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 2b99 s ALA 63 CO 0.03 -0.58 -0.01 -0.51 0.00 0.00 0.00 175.76 174.69 2b99 s LEU 64 N 1.50 3.07 0.13 0.00 1.43 0.39 0.31 118.68 125.51 2b99 s LEU 64 Ca 0.05 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 2b99 s LEU 64 Cb -0.15 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2b99 s LEU 64 CO -0.01 -0.02 0.27 -0.83 0.23 0.00 0.00 176.35 176.00 2b99 s GLY 65 N 1.47 0.17 -0.29 -3.19 0.00 -0.47 -3.81 107.32 101.20 2b99 s GLY 65 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 2b99 s GLY 65 CO -0.01 -0.72 0.16 -0.29 0.00 0.00 0.00 173.10 172.24 2b99 s MET 66 N -3.89 0.22 0.43 2.90 0.00 -1.26 -1.78 119.30 115.91 2b99 s MET 66 Ca 0.09 -0.47 -0.25 0.00 0.00 0.00 0.00 55.69 55.07 2b99 s MET 66 Cb 0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 34.83 33.71 2b99 s MET 66 CO -0.07 -1.02 1.30 -2.14 0.00 0.00 0.00 175.02 173.09 2b99 s PRO 67 N 2.14 3.82 0.96 4.11 0.02 -1.25 -4.65 135.00 140.15 2b99 s PRO 67 Ca 0.09 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.09 2b99 s PRO 67 Cb -0.16 -2.65 0.23 0.00 0.02 0.00 0.00 34.50 31.95 2b99 s PRO 67 CO -0.36 -0.61 0.97 0.41 -0.33 0.00 0.00 177.00 177.08 2b99 n GLY 68 N 0.64 -2.32 0.13 0.52 0.00 -1.26 -3.58 105.19 99.31 2b99 n GLY 68 Ca 0.05 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.20 -4.51 1.61 1.57 -1.96 -3.43 116.57 109.65 2b99 h LYS 69 Ca -0.35 0.01 -0.43 0.00 -1.87 0.00 0.00 60.65 58.01 2b99 h LYS 69 Cb 1.02 0.05 0.16 0.00 0.08 0.00 0.00 32.23 33.54 2b99 h LYS 69 CO 0.23 0.14 -1.12 0.00 -0.57 0.00 0.00 179.45 178.13 2b99 n ALA 70 N -2.38 -3.66 -0.07 3.86 0.00 -1.26 -4.80 120.51 112.20 2b99 n ALA 70 Ca -0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 2b99 n ALA 70 Cb 0.23 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.35 0.36 -0.03 0.00 9.09 -2.01 -2.64 114.58 119.00 2b99 h GLU 71 Ca -0.32 -0.10 0.01 0.00 0.05 0.00 0.00 59.36 59.00 2b99 h GLU 71 Cb 1.04 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.09 2b99 h GLU 71 CO 0.25 0.51 0.03 1.57 0.05 0.00 0.00 179.01 181.42 2b99 h LYS 72 N 0.16 0.00 -0.02 1.06 2.10 -1.98 0.25 116.57 118.14 2b99 h LYS 72 Ca 0.07 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.62 2b99 h LYS 72 Cb 0.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 2b99 h LYS 72 CO 0.00 0.00 -0.44 -0.44 -2.00 0.00 0.00 179.45 176.57 2b99 h ASP 73 N 0.00 0.06 0.08 7.07 3.45 -1.79 -0.24 116.42 125.05 2b99 h ASP 73 Ca 0.01 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.35 2b99 h ASP 73 Cb 0.08 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 2b99 h ASP 73 CO -0.00 0.50 -0.34 0.11 -1.57 0.00 0.00 179.24 177.94 2b99 h LYS 74 N 0.05 0.37 -0.10 3.56 1.57 -0.46 0.04 116.57 121.60 2b99 h LYS 74 Ca 0.00 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2b99 h LYS 74 Cb 0.81 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2b99 h LYS 74 CO 0.06 0.67 -0.15 0.28 -0.57 0.00 0.00 179.45 179.73 2b99 h VAL 75 N 0.32 1.38 -0.69 0.50 2.07 -1.04 -1.64 116.25 117.16 2b99 h VAL 75 Ca 0.04 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.20 2b99 h VAL 75 Cb 0.75 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2b99 h VAL 75 CO 0.06 0.40 0.42 0.00 0.02 0.00 0.00 177.57 178.47 2b99 h ALA 77 N 1.32 -0.15 -0.86 0.00 0.00 -0.94 0.16 119.26 118.79 2b99 h ALA 77 Ca 0.29 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.31 2b99 h ALA 77 Cb 0.08 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2b99 h ALA 77 CO -0.14 -0.62 0.50 1.25 0.00 0.00 0.00 179.25 180.25 2b99 h HIS 78 N -0.21 0.90 -0.45 0.00 6.17 -0.69 0.35 115.15 121.21 2b99 h HIS 78 Ca 0.03 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.01 2b99 h HIS 78 Cb 0.25 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.90 2b99 h HIS 78 CO -0.17 0.34 -0.27 0.93 0.71 0.00 0.00 177.93 179.48 2b99 h GLU 79 N 0.81 0.97 -0.45 5.26 5.08 -0.44 -1.65 114.58 124.15 2b99 h GLU 79 Ca 0.43 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2b99 h GLU 79 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2b99 h GLU 79 CO -0.27 1.11 0.12 0.00 -1.00 0.00 0.00 179.01 178.97 2b99 h ALA 80 N 0.86 0.59 -0.44 3.43 0.00 0.69 -2.09 119.26 122.31 2b99 h ALA 80 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2b99 h ALA 80 Cb 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2b99 h ALA 80 CO 0.08 0.27 0.12 0.77 0.00 0.00 0.00 179.25 180.49 2b99 h SER 81 N 0.60 0.59 -0.50 0.00 0.02 -0.23 -1.40 113.55 112.64 2b99 h SER 81 Ca 0.14 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2b99 h SER 81 Cb 0.31 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2b99 h SER 81 CO -0.00 0.58 0.00 -0.07 -1.14 0.00 0.00 176.83 176.20 2b99 h LEU 82 N 0.63 0.90 -0.78 5.07 3.38 -1.00 -1.20 115.31 122.32 2b99 h LEU 82 Ca 0.15 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2b99 h LEU 82 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2b99 h LEU 82 CO -0.01 0.96 0.30 1.23 0.09 0.00 0.00 178.44 181.02 2b99 h GLY 83 N 1.00 1.26 1.06 0.83 0.00 -0.62 -1.47 103.07 105.12 2b99 h GLY 83 Ca 0.16 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 2b99 h GLY 83 CO 0.02 0.65 0.10 1.41 0.00 0.00 0.00 176.54 178.73 2b99 h LEU 84 N 1.14 1.04 -0.42 3.11 3.38 -0.86 -0.66 115.31 122.04 2b99 h LEU 84 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2b99 h LEU 84 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2b99 h LEU 84 CO -0.02 1.04 0.23 -0.03 0.09 0.00 0.00 178.44 179.76 2b99 h MET 85 N 1.00 0.58 -0.43 1.13 4.05 -0.85 -2.69 114.93 117.72 2b99 h MET 85 Ca 0.20 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 2b99 h MET 85 Cb 0.45 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2b99 h MET 85 CO 0.01 0.46 -0.13 -0.07 0.23 0.00 0.00 176.91 177.41 2b99 h LEU 86 N 0.54 0.78 -0.96 3.39 3.38 -1.01 -2.50 115.31 118.94 2b99 h LEU 86 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2b99 h LEU 86 Cb 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2b99 h LEU 86 CO -0.02 0.93 0.51 0.00 0.09 0.00 0.00 178.44 179.95 2b99 h ALA 87 N 1.14 1.21 -0.21 1.53 0.00 -0.94 -1.44 119.26 120.54 2b99 h ALA 87 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2b99 h ALA 87 Cb 0.62 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2b99 h ALA 87 CO 0.04 0.65 -0.01 1.96 0.00 0.00 0.00 179.25 181.89 2b99 h GLN 88 N 1.25 0.38 0.00 0.00 4.20 -1.33 -2.50 115.11 117.11 2b99 h GLN 88 Ca 0.32 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 2b99 h GLN 88 Cb -0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2b99 h GLN 88 CO -0.06 0.59 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.39 2b99 h LEU 89 N 0.13 0.00 0.00 1.46 3.38 -1.18 0.51 115.31 119.62 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 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2b99 h LEU 89 CO 0.01 0.23 -0.06 0.23 0.09 0.00 0.00 178.44 178.95 2b99 n MET 90 N -4.17 0.27 0.00 1.13 2.81 -0.57 -3.92 117.12 112.67 2b99 n MET 90 Ca -0.02 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2b99 n MET 90 Cb 0.30 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.26 0.00 -2.77 2.03 -2.24 -0.91 -5.01 114.28 103.12 2b99 n THR 91 Ca 0.05 -0.40 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 2b99 n THR 91 Cb 0.43 0.90 0.02 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.08 -5.90 -4.06 3.42 5.03 0.17 -4.99 115.26 107.85 2b99 n ASN 92 Ca 0.00 -0.18 -0.18 0.00 0.87 0.00 0.00 54.58 55.08 2b99 n ASN 92 Cb 0.00 -4.79 -0.14 0.00 -1.02 0.00 0.00 39.78 33.83 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 -5.42 0.78 0.32 3.52 1.02 -1.17 -5.07 119.74 113.72 2b99 s LYS 93 Ca 0.19 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 2b99 s LYS 93 Cb -0.08 -0.74 -0.09 0.00 -0.52 0.00 0.00 37.83 36.40 2b99 s LYS 93 CO 0.23 0.19 1.08 -1.01 -0.92 0.00 0.00 175.35 174.93 2b99 s HIS 94 N -0.53 3.47 -0.23 3.18 3.76 -1.26 -4.40 115.29 119.27 2b99 s HIS 94 Ca 0.01 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 56.61 2b99 s HIS 94 Cb -0.06 -3.23 0.06 0.00 1.11 0.00 0.00 32.58 30.46 2b99 s HIS 94 CO 0.00 -0.59 -0.04 0.42 -0.85 0.00 0.00 174.74 173.69 2b99 s ILE 95 N -1.33 1.43 -0.47 0.60 1.01 -1.26 -2.37 121.20 118.82 2b99 s ILE 95 Ca 0.49 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 2b99 s ILE 95 Cb -0.29 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.48 2b99 s ILE 95 CO 0.36 -0.13 1.13 -0.63 0.00 0.00 0.00 174.94 175.68 2b99 s ILE 96 N 1.44 4.22 -0.25 2.92 -1.09 0.68 -4.91 121.20 124.21 2b99 s ILE 96 Ca -0.05 1.23 -0.27 0.00 -2.23 0.00 0.00 60.65 59.33 2b99 s ILE 96 Cb -0.19 -4.59 0.01 0.00 -1.58 0.00 0.00 42.46 36.11 2b99 s ILE 96 CO -0.07 -0.99 0.97 -0.70 -1.23 0.00 0.00 174.94 172.93 2b99 s GLU 97 N 4.41 4.18 -0.67 2.79 2.12 -1.26 -1.27 118.70 129.00 2b99 s GLU 97 Ca 0.48 1.14 0.02 0.00 0.36 0.00 0.00 54.97 56.98 2b99 s GLU 97 Cb -0.07 -3.67 0.16 0.00 0.26 0.00 0.00 34.13 30.82 2b99 s GLU 97 CO 0.31 -0.65 0.46 0.08 -0.54 0.00 0.00 175.26 174.92 2b99 s VAL 98 N 3.17 3.15 -0.05 3.70 1.01 0.15 -4.95 120.40 126.58 2b99 s VAL 98 Ca 0.41 -3.74 -0.01 0.00 0.00 0.00 0.00 61.98 58.65 2b99 s VAL 98 Cb -0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2b99 s VAL 98 CO 0.08 -0.94 0.01 -0.36 0.00 0.00 0.00 175.10 173.90 2b99 s PHE 99 N -0.89 3.15 -0.18 5.22 2.99 -1.26 -1.37 117.98 125.64 2b99 s PHE 99 Ca 0.22 0.16 -0.02 0.00 0.00 0.00 0.00 56.93 57.28 2b99 s PHE 99 Cb -0.14 -1.75 0.05 0.00 0.00 0.00 0.00 43.02 41.19 2b99 s PHE 99 CO -0.09 0.48 0.03 0.08 -0.00 0.00 0.00 175.22 175.71 2b99 s VAL 100 N -0.98 0.54 0.21 -0.44 1.01 -0.73 -4.99 120.40 115.02 2b99 s VAL 100 Ca 0.16 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 2b99 s VAL 100 Cb -0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 2b99 s VAL 100 CO 0.06 -0.13 0.86 -1.00 0.00 0.00 0.00 175.10 174.89 2b99 s HIS 101 N 1.86 3.95 0.48 5.22 3.76 -1.26 -3.79 115.29 125.50 2b99 s HIS 101 Ca -0.00 1.78 0.22 0.00 -0.15 0.00 0.00 55.06 56.91 2b99 s HIS 101 Cb -0.16 -2.88 1.35 0.00 1.11 0.00 0.00 32.58 32.00 2b99 s HIS 101 CO -0.08 0.48 2.09 0.93 -0.85 0.00 0.00 174.74 177.32 2b99 h GLU 102 N 4.21 0.00 0.00 1.40 5.08 -1.82 -2.09 114.58 121.36 2b99 h GLU 102 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 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 0.67 0.10 0.03 -0.44 -1.00 0.00 0.00 179.01 178.37 2b99 h ASP 103 N 0.00 0.00 1.09 1.42 3.45 -1.89 -2.38 116.42 118.11 2b99 h ASP 103 Ca -0.00 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 2b99 h ASP 103 Cb 0.22 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 2b99 h ASP 103 CO 0.01 0.00 -0.80 -0.33 -1.57 0.00 0.00 179.24 176.55 2b99 h GLU 104 N 0.00 0.00 -6.29 3.56 5.08 -1.78 -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 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2b99 h GLU 104 CO 0.00 0.80 -0.32 0.00 -1.00 0.00 0.00 179.01 178.49 2b99 s ALA 105 N -2.90 3.82 -1.01 3.43 0.00 -0.90 -5.00 121.76 119.20 2b99 s ALA 105 Ca 0.02 -0.96 0.22 0.00 0.00 0.00 0.00 51.96 51.23 2b99 s ALA 105 Cb 0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2b99 s ALA 105 CO 0.79 0.26 1.04 1.63 0.00 0.00 0.00 175.76 179.48 2b99 n LYS 106 N -1.17 0.02 -3.83 0.00 5.02 -1.26 -4.95 118.16 111.98 2b99 n LYS 106 Ca -0.06 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.15 2b99 n LYS 106 Cb 0.55 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.99 -0.03 0.35 4.39 -4.77 -1.26 -5.04 116.67 107.32 2b99 s ASP 107 Ca 0.09 -0.92 0.17 0.00 -3.30 0.00 0.00 52.55 48.59 2b99 s ASP 107 Cb 0.16 0.72 0.57 0.00 -1.09 0.00 0.00 42.92 43.27 2b99 s ASP 107 CO 0.82 -1.41 1.68 0.44 0.70 0.00 0.00 175.17 177.41 2b99 h ASP 108 N 2.00 0.00 -0.27 2.11 3.45 -1.98 -0.27 116.42 121.46 2b99 h ASP 108 Ca -0.29 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.07 2b99 h ASP 108 Cb 1.24 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 2b99 h ASP 108 CO 0.37 0.44 -0.21 0.11 -1.57 0.00 0.00 179.24 178.38 2b99 h LYS 109 N 0.00 0.62 -0.22 3.56 1.57 -1.99 -1.48 116.57 118.63 2b99 h LYS 109 Ca -0.00 -0.30 -0.18 0.00 -1.87 0.00 0.00 60.65 58.29 2b99 h LYS 109 Cb 0.98 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2b99 h LYS 109 CO 0.06 0.90 -0.58 1.49 -0.57 0.00 0.00 179.45 180.74 2b99 h GLU 110 N 0.36 0.71 -0.50 3.15 4.81 -1.94 -2.32 114.58 118.84 2b99 h GLU 110 Ca 0.05 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2b99 h GLU 110 Cb 0.75 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2b99 h GLU 110 CO 0.05 1.09 0.26 1.25 -0.73 0.00 0.00 179.01 180.93 2b99 h LEU 111 N 0.53 0.64 -0.58 1.64 5.85 -0.99 0.25 115.31 122.66 2b99 h LEU 111 Ca 0.00 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2b99 h LEU 111 Cb 1.16 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2b99 h LEU 111 CO 0.12 0.56 0.17 -0.78 -0.34 0.00 0.00 178.44 178.17 2b99 h ASP 112 N 0.67 0.86 0.12 1.25 1.82 -1.26 -1.23 116.42 118.65 2b99 h ASP 112 Ca 0.17 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2b99 h ASP 112 Cb 0.08 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.86 2b99 h ASP 112 CO -0.03 0.85 -0.06 -0.25 -1.61 0.00 0.00 179.24 178.14 2b99 h TRP 113 N 0.82 -0.15 -0.29 0.28 7.01 -1.04 -2.68 115.95 119.90 2b99 h TRP 113 Ca 0.18 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.22 2b99 h TRP 113 Cb 0.31 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 2b99 h TRP 113 CO 0.02 0.06 0.05 1.25 -2.79 0.00 0.00 178.44 177.04 2b99 h LEU 114 N -0.35 -0.00 -0.28 0.65 7.12 -0.40 -0.90 115.31 121.14 2b99 h LEU 114 Ca -0.02 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2b99 h LEU 114 Cb 0.29 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 2b99 h LEU 114 CO 0.03 0.04 0.14 0.00 -0.13 0.00 0.00 178.44 178.51 2b99 h ALA 115 N 1.21 0.36 -0.64 1.25 0.00 -1.26 -0.47 119.26 119.73 2b99 h ALA 115 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2b99 h ALA 115 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2b99 h ALA 115 CO -0.18 -0.09 0.08 0.87 0.00 0.00 0.00 179.25 179.94 2b99 h LYS 116 N 0.32 1.07 -0.49 0.00 1.57 -1.35 0.00 116.57 117.68 2b99 h LYS 116 Ca 0.10 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2b99 h LYS 116 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2b99 h LYS 116 CO -0.01 1.00 0.16 -0.09 -0.57 0.00 0.00 179.45 179.94 2b99 h ARG 117 N 0.98 0.76 -0.47 3.15 1.12 -1.02 -0.28 114.38 118.63 2b99 h ARG 117 Ca 0.19 -0.16 -0.12 0.00 -1.11 0.00 0.00 59.98 58.78 2b99 h ARG 117 Cb 0.46 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2b99 h ARG 117 CO 0.02 0.71 -0.17 -0.09 -3.11 0.00 0.00 179.97 177.33 2b99 h ARG 118 N 0.67 0.95 0.13 0.20 2.43 -0.88 -1.15 114.38 116.72 2b99 h ARG 118 Ca 0.16 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2b99 h ARG 118 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2b99 h ARG 118 CO -0.01 1.06 -0.06 0.00 -1.51 0.00 0.00 179.97 179.45 2b99 h ALA 119 N 0.87 -0.17 -0.63 2.80 0.00 -0.80 -1.67 119.26 119.66 2b99 h ALA 119 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2b99 h ALA 119 Cb 0.74 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2b99 h ALA 119 CO 0.06 -0.58 0.40 1.49 0.00 0.00 0.00 179.25 180.61 2b99 h GLU 120 N -0.21 0.76 -0.52 0.00 4.81 -0.98 -0.80 114.58 117.64 2b99 h GLU 120 Ca -0.02 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2b99 h GLU 120 Cb 0.16 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2b99 h GLU 120 CO 0.03 0.50 0.10 0.93 -0.73 0.00 0.00 179.01 179.84 2b99 h GLU 121 N 0.78 0.81 0.00 1.92 5.08 -1.05 -1.67 114.58 120.45 2b99 h GLU 121 Ca 0.25 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2b99 h GLU 121 Cb -0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2b99 h GLU 121 CO -0.09 0.75 -0.07 0.45 -1.00 0.00 0.00 179.01 179.04 2b99 h HIS 122 N 0.77 0.00 -0.02 4.33 3.86 -0.90 -2.37 115.15 120.83 2b99 h HIS 122 Ca 0.17 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 2b99 h HIS 122 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2b99 h HIS 122 CO 0.02 0.07 -0.35 0.00 0.86 0.00 0.00 177.93 178.53 2b99 h ALA 123 N 1.93 1.38 -0.10 2.45 0.00 -0.21 -0.82 119.26 123.88 2b99 h ALA 123 Ca -0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2b99 h ALA 123 Cb 0.84 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2b99 h ALA 123 CO 0.01 0.46 -0.74 0.93 0.00 0.00 0.00 179.25 179.91 2b99 h GLU 124 N 0.04 0.51 -0.51 0.00 5.08 -1.04 -2.44 114.58 116.22 2b99 h GLU 124 Ca 0.00 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2b99 h GLU 124 Cb 0.64 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2b99 h GLU 124 CO 0.05 1.04 0.12 -0.91 -1.00 0.00 0.00 179.01 178.31 2b99 h ASN 125 N 0.35 0.72 -0.27 1.42 2.35 -1.04 0.33 115.58 119.43 2b99 h ASN 125 Ca -0.04 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2b99 h ASN 125 Cb 1.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2b99 h ASN 125 CO 0.13 0.71 0.10 0.58 -1.65 0.00 0.00 177.43 177.31 2b99 h VAL 126 N 0.75 1.18 0.11 2.81 2.07 -1.06 -0.34 116.25 121.77 2b99 h VAL 126 Ca 0.17 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2b99 h VAL 126 Cb 0.28 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2b99 h VAL 126 CO -0.00 0.19 -0.33 0.22 0.02 0.00 0.00 177.57 177.67 2b99 h TYR 127 N 0.28 -0.90 -0.95 1.57 3.20 -0.91 -0.81 116.97 118.44 2b99 h TYR 127 Ca 0.09 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2b99 h TYR 127 Cb 0.20 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 2b99 h TYR 127 CO -0.00 -0.43 0.61 1.88 -1.64 0.00 0.00 178.16 178.58 2b99 h TYR 128 N -0.55 1.14 -0.43 -3.82 0.05 -0.80 0.34 116.97 112.90 2b99 h TYR 128 Ca 0.03 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 2b99 h TYR 128 Cb 0.58 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2b99 h TYR 128 CO -0.30 0.61 0.04 -0.07 -1.05 0.00 0.00 178.16 177.38 2b99 h LEU 129 N 1.13 0.63 0.12 3.88 3.38 -0.61 0.50 115.31 124.35 2b99 h LEU 129 Ca 0.40 -0.12 -0.26 0.00 0.09 0.00 0.00 57.88 57.99 2b99 h LEU 129 Cb 0.12 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 40.73 2b99 h LEU 129 CO -0.16 0.68 -1.10 -0.07 0.09 0.00 0.00 178.44 177.88 2b99 h LEU 130 N 0.64 0.76 0.00 1.67 4.07 -0.19 -3.41 115.31 118.85 2b99 h LEU 130 Ca 0.14 -0.84 -0.02 0.00 0.08 0.00 0.00 57.88 57.23 2b99 h LEU 130 Cb 0.35 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2b99 h LEU 130 CO 0.01 1.53 -1.07 0.49 -1.08 0.00 0.00 178.44 178.33 2b99 n PHE 131 N -3.91 0.00 -2.94 1.13 3.01 0.02 -4.88 117.46 109.89 2b99 n PHE 131 Ca -0.14 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.10 2b99 n PHE 131 Cb 0.92 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 40.32 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 -2.05 2.37 0.11 -1.08 0.00 -0.03 -4.89 118.16 112.60 2b99 n LYS 132 Ca -0.02 -4.22 0.20 0.00 0.00 0.00 0.00 58.31 54.28 2b99 n LYS 132 Cb 0.53 -1.99 0.74 0.00 0.00 0.00 0.00 35.03 34.31 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 2.94 0.00 -0.30 1.64 0.13 -1.25 0.67 132.00 135.83 2b99 h PRO 133 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 2b99 h PRO 133 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 2b99 h PRO 133 CO 0.70 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.24 2b99 h GLU 134 N 0.00 0.52 0.03 0.86 5.08 -1.90 -3.11 114.58 116.06 2b99 h GLU 134 Ca 0.18 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2b99 h GLU 134 Cb 1.12 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2b99 h GLU 134 CO -0.00 0.67 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.65 2b99 h TYR 135 N 0.47 -0.27 -1.00 4.33 3.20 -1.20 -2.38 116.97 120.12 2b99 h TYR 135 Ca 0.08 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.14 2b99 h TYR 135 Cb 0.55 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.84 2b99 h TYR 135 CO 0.02 -0.16 0.62 -0.07 -1.64 0.00 0.00 178.16 176.92 2b99 h LEU 136 N -0.20 0.78 -1.02 2.82 3.38 -1.65 0.10 115.31 119.52 2b99 h LEU 136 Ca 0.03 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2b99 h LEU 136 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2b99 h LEU 136 CO -0.09 0.30 0.05 0.74 0.09 0.00 0.00 178.44 179.53 2b99 h THR 137 N 0.77 1.23 0.00 0.22 2.02 -1.45 -1.26 112.91 114.44 2b99 h THR 137 Ca 0.56 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2b99 h THR 137 Cb 0.86 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2b99 h THR 137 CO -0.35 0.32 -0.10 -0.09 0.37 0.00 0.00 175.52 175.67 2b99 h ARG 138 N 0.71 0.00 -0.72 6.66 2.43 -0.40 -1.23 114.38 121.83 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 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2b99 h ARG 138 CO 0.01 0.10 0.00 -1.33 -1.51 0.00 0.00 179.97 177.24 2b99 n MET 139 N -4.17 2.69 -1.68 0.20 2.81 -0.57 -4.98 117.12 111.43 2b99 n MET 139 Ca -0.03 -2.63 -0.46 0.00 -1.81 0.00 0.00 57.70 52.78 2b99 n MET 139 Cb 0.18 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.64 1.53 -1.18 3.04 0.00 -0.47 -1.96 120.51 123.11 2b99 n ALA 140 Ca 0.24 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 54.01 2b99 n ALA 140 Cb 0.62 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 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 3.79 0.85 1.22 0.00 0.00 -1.26 -4.92 105.19 104.87 2b99 n GLY 141 Ca 0.18 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.67 2b99 n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b99 n LYS 142 N -2.63 2.72 -3.71 1.61 4.76 -0.83 -4.54 118.16 115.54 2b99 n LYS 142 Ca -0.06 -2.29 -0.21 0.00 -2.87 0.00 0.00 58.31 52.88 2b99 n LYS 142 Cb 0.23 -1.58 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 2b99 n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b99 n GLY 143 N 1.33 -0.29 3.82 0.72 0.00 -1.26 -3.13 105.19 106.38 2b99 n GLY 143 Ca 0.21 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 2b99 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b99 s LEU 144 N -6.68 3.90 0.20 0.99 1.43 -1.26 -1.40 118.68 115.85 2b99 s LEU 144 Ca 0.01 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 54.81 2b99 s LEU 144 Cb -0.00 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 2b99 s LEU 144 CO 0.82 -0.39 -0.04 -0.13 0.23 0.00 0.00 176.35 176.84 2b99 s ARG 145 N -3.30 1.22 -0.14 1.70 1.81 -1.26 -4.84 118.95 114.13 2b99 s ARG 145 Ca 0.61 -1.58 0.01 0.00 -1.72 0.00 0.00 55.73 53.05 2b99 s ARG 145 Cb -0.09 -0.59 0.02 0.00 -0.45 0.00 0.00 34.95 33.84 2b99 s ARG 145 CO 0.16 -0.04 -0.16 -0.65 -0.68 0.00 0.00 175.30 173.93 2b99 s GLN 146 N -3.83 2.44 0.00 3.54 1.11 -1.26 -4.75 119.66 116.91 2b99 s GLN 146 Ca 0.24 -0.63 0.00 0.00 0.01 0.00 0.00 55.36 54.98 2b99 s GLN 146 Cb 0.05 -2.12 0.00 0.00 -1.01 0.00 0.00 33.01 29.93 2b99 s GLN 146 CO 0.05 -0.14 0.00 0.41 0.01 0.00 0.00 175.29 175.63 2b99 n GLY 147 N 4.44 1.32 3.90 3.09 0.00 -1.26 -4.74 105.19 111.94 2b99 n GLY 147 Ca -0.18 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2b99 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b99 s PHE 148 N 0.00 3.17 0.50 1.61 0.40 -1.26 -4.75 117.98 117.65 2b99 s PHE 148 Ca 0.00 0.86 -0.20 0.00 -0.60 0.00 0.00 56.93 56.98 2b99 s PHE 148 Cb 0.00 -3.17 -0.10 0.00 0.51 0.00 0.00 43.02 40.26 2b99 s PHE 148 CO 0.00 -1.33 0.63 -0.85 0.70 0.00 0.00 175.22 174.37 2b99 n GLU 149 N -3.04 0.68 -0.67 0.44 0.28 -1.26 -4.72 120.64 112.35 2b99 n GLU 149 Ca 0.07 0.26 -0.31 0.00 -0.16 0.00 0.00 57.16 57.02 2b99 n GLU 149 Cb 0.59 -1.71 0.17 0.00 1.43 0.00 0.00 31.44 31.91 2b99 n GLU 149 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2b99 n ASP 150 N 0.69 -0.42 -0.03 -1.84 10.43 -1.26 -4.76 116.55 119.36 2b99 n ASP 150 Ca 0.11 0.32 0.03 0.00 2.57 0.00 0.00 54.79 57.83 2b99 n ASP 150 Cb 0.43 -1.39 -0.14 0.00 1.84 0.00 0.00 41.12 41.87 2b99 n ASP 150 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2b99 n ALA 151 N -4.23 2.30 -0.79 2.24 0.00 -0.60 -4.94 120.51 114.49 2b99 n ALA 151 Ca 0.10 -0.65 0.10 0.00 0.00 0.00 0.00 53.44 52.99 2b99 n ALA 151 Cb 0.53 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2b99 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b99 n GLY 152 N 1.65 -2.28 0.00 0.00 0.00 -0.49 -4.99 105.19 99.08 2b99 n GLY 152 Ca -0.11 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.67 2b99 n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77