#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb2 s PRO 3 N -2.75 0.58 0.33 0.00 0.02 -1.26 -4.90 135.00 127.02 1sb2 s PRO 3 Ca 0.63 1.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 1sb2 s PRO 3 Cb -0.25 -1.71 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1sb2 s PRO 3 CO 0.30 -2.78 1.55 -0.25 -0.33 0.00 0.00 177.00 175.49 1sb2 n ASP 4 N -4.29 3.82 0.00 2.53 10.43 -1.26 -2.36 116.55 125.43 1sb2 n ASP 4 Ca 0.07 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.62 1sb2 n ASP 4 Cb 0.54 -1.60 0.00 0.00 1.84 0.00 0.00 41.12 41.89 1sb2 n ASP 4 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sb2 n GLY 5 N 1.44 1.07 3.69 0.44 0.00 -1.26 -5.06 105.19 105.51 1sb2 n GLY 5 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1sb2 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sb2 s TRP 6 N -2.59 3.18 0.03 1.61 0.52 -0.99 -4.81 118.94 115.89 1sb2 s TRP 6 Ca 0.00 0.21 -0.23 0.00 0.02 0.00 0.00 56.10 56.10 1sb2 s TRP 6 Cb 0.00 -1.80 -0.06 0.00 -1.15 0.00 0.00 33.47 30.46 1sb2 s TRP 6 CO 0.00 0.48 0.68 -1.12 0.02 0.00 0.00 176.95 177.01 1sb2 s SER 7 N -0.87 7.11 0.08 2.95 0.01 0.88 -4.84 113.70 119.02 1sb2 s SER 7 Ca 0.13 1.32 0.06 0.00 1.31 0.00 0.00 55.95 58.77 1sb2 s SER 7 Cb -0.11 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1sb2 s SER 7 CO 0.02 0.07 -0.08 -0.94 0.41 0.00 0.00 173.24 172.72 1sb2 s SER 8 N -0.19 4.54 0.00 2.44 1.04 -1.26 -0.32 113.70 119.94 1sb2 s SER 8 Ca 0.35 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1sb2 s SER 8 Cb -0.20 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 64.99 1sb2 s SER 8 CO 0.20 0.20 0.00 0.35 0.98 0.00 0.00 173.24 174.97 1sb2 n THR 9 N 0.83 0.00 0.28 2.02 -2.24 -0.32 -5.02 114.28 109.84 1sb2 n THR 9 Ca -0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1sb2 n THR 9 Cb 0.52 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 1sb2 n THR 9 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1sb2 h LYS 10 N 0.00 -0.66 0.00 -0.78 3.64 -2.04 -3.38 116.57 113.35 1sb2 h LYS 10 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1sb2 h LYS 10 Cb 0.00 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1sb2 h LYS 10 CO 0.00 -0.41 -0.72 0.43 -2.27 0.00 0.00 179.45 176.48 1sb2 n SER 11 N -5.36 1.13 -4.42 4.20 7.64 -1.26 -4.97 113.62 110.58 1sb2 n SER 11 Ca -0.12 -0.51 -0.25 0.00 1.01 0.00 0.00 58.87 59.00 1sb2 n SER 11 Cb 0.29 1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 64.51 1sb2 n SER 11 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1sb2 s TYR 12 N -2.09 2.20 -0.02 1.43 1.51 -1.26 -0.14 117.35 118.98 1sb2 s TYR 12 Ca 0.01 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1sb2 s TYR 12 Cb 0.07 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1sb2 s TYR 12 CO 0.38 0.53 -0.20 0.00 -1.11 0.00 0.00 175.55 175.16 1sb2 s TYR 14 N -0.39 0.80 -0.17 0.00 1.51 0.56 -1.45 117.35 118.21 1sb2 s TYR 14 Ca 0.06 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1sb2 s TYR 14 Cb -0.08 -0.48 0.08 0.00 -0.11 0.00 0.00 41.96 41.36 1sb2 s TYR 14 CO -0.00 -0.02 0.34 0.50 -1.11 0.00 0.00 175.55 175.26 1sb2 s ARG 15 N -0.96 0.23 0.38 -0.62 3.52 -0.30 -0.08 118.95 121.12 1sb2 s ARG 15 Ca -0.02 0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 56.21 1sb2 s ARG 15 Cb -0.07 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.35 1sb2 s ARG 15 CO 0.00 -0.28 0.98 -1.25 -0.81 0.00 0.00 175.30 173.94 1sb2 s PRO 16 N 2.51 4.35 -0.04 5.12 0.04 -1.26 -1.52 135.00 144.20 1sb2 s PRO 16 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.41 1sb2 s PRO 16 Cb -0.12 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1sb2 s PRO 16 CO -0.11 0.06 -0.14 -0.06 0.04 0.00 0.00 177.00 176.79 1sb2 s PHE 17 N -1.78 1.44 -0.43 0.56 0.08 0.83 -4.97 117.98 113.72 1sb2 s PHE 17 Ca 0.56 -0.42 0.23 0.00 0.12 0.00 0.00 56.93 57.42 1sb2 s PHE 17 Cb -0.17 -1.00 0.14 0.00 -0.57 0.00 0.00 43.02 41.43 1sb2 s PHE 17 CO 0.22 -0.16 1.16 0.87 -0.10 0.00 0.00 175.22 177.21 1sb2 h LYS 18 N 6.40 0.00 -6.22 0.44 1.57 -1.97 -2.67 116.57 114.11 1sb2 h LYS 18 Ca -0.33 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.88 1sb2 h LYS 18 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1sb2 h LYS 18 CO 0.48 0.00 0.84 -1.21 -0.57 0.00 0.00 179.45 178.99 1sb2 s GLU 19 N -3.27 4.14 0.16 3.15 8.01 -1.26 -4.75 118.70 124.88 1sb2 s GLU 19 Ca 0.03 1.22 -0.30 0.00 0.01 0.00 0.00 54.97 55.93 1sb2 s GLU 19 Cb 0.11 -3.71 -0.07 0.00 -4.31 0.00 0.00 34.13 26.15 1sb2 s GLU 19 CO 0.76 -0.81 1.13 0.15 0.01 0.00 0.00 175.26 176.50 1sb2 s LYS 20 N 3.51 4.56 0.11 1.61 1.02 -1.26 -4.67 119.74 124.63 1sb2 s LYS 20 Ca 0.46 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1sb2 s LYS 20 Cb -0.14 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1sb2 s LYS 20 CO 0.12 0.01 -0.01 0.15 -0.92 0.00 0.00 175.35 174.70 1sb2 s LYS 21 N -0.18 0.87 0.98 1.68 1.02 -0.32 -4.73 119.74 119.07 1sb2 s LYS 21 Ca 0.51 -1.39 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 1sb2 s LYS 21 Cb -0.30 -0.00 0.18 0.00 -0.52 0.00 0.00 37.83 37.19 1sb2 s LYS 21 CO 0.35 -0.13 1.08 0.95 -0.92 0.00 0.00 175.35 176.68 1sb2 s THR 22 N -3.82 2.33 0.17 2.17 -4.23 -1.25 -1.33 115.64 109.69 1sb2 s THR 22 Ca 0.17 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1sb2 s THR 22 Cb 0.07 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1sb2 s THR 22 CO -0.02 -0.14 1.73 -0.25 -0.54 0.00 0.00 174.62 175.40 1sb2 h TRP 23 N -1.89 0.93 -0.33 3.99 7.01 -1.40 0.06 115.95 124.31 1sb2 h TRP 23 Ca -0.53 -0.07 -0.10 0.00 2.11 0.00 0.00 58.89 60.31 1sb2 h TRP 23 Cb 1.30 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 1sb2 h TRP 23 CO 0.36 0.74 -0.17 0.93 -2.79 0.00 0.00 178.44 177.51 1sb2 h GLU 24 N 0.85 0.70 -0.94 2.65 3.07 -1.92 -0.62 114.58 118.37 1sb2 h GLU 24 Ca 0.20 -0.31 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1sb2 h GLU 24 Cb 0.20 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 1sb2 h GLU 24 CO -0.02 0.91 0.61 0.93 -1.40 0.00 0.00 179.01 180.04 1sb2 h GLU 25 N 0.47 1.12 0.01 2.33 5.08 -1.85 -0.32 114.58 121.42 1sb2 h GLU 25 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sb2 h GLU 25 Cb 0.70 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sb2 h GLU 25 CO 0.05 0.74 -0.01 0.00 -1.00 0.00 0.00 179.01 178.79 1sb2 h ALA 26 N 1.46 -0.02 -0.62 3.43 0.00 -0.56 0.57 119.26 123.52 1sb2 h ALA 26 Ca 0.38 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1sb2 h ALA 26 Cb 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1sb2 h ALA 26 CO -0.12 -0.27 0.40 1.49 0.00 0.00 0.00 179.25 180.74 1sb2 h GLU 27 N -0.49 0.77 -0.43 0.00 4.57 -1.07 -0.51 114.58 117.42 1sb2 h GLU 27 Ca -0.00 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1sb2 h GLU 27 Cb 0.48 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1sb2 h GLU 27 CO 0.00 0.51 0.27 -0.09 -1.18 0.00 0.00 179.01 178.52 1sb2 h ARG 28 N 0.79 0.53 -0.46 1.92 2.43 -0.96 -0.88 114.38 117.76 1sb2 h ARG 28 Ca 0.24 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1sb2 h ARG 28 Cb -0.03 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 1sb2 h ARG 28 CO -0.08 0.35 0.15 0.35 -1.51 0.00 0.00 179.97 179.23 1sb2 h PHE 29 N 0.55 0.25 -0.51 2.20 3.57 -0.49 -1.63 116.94 120.88 1sb2 h PHE 29 Ca 0.16 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1sb2 h PHE 29 Cb -0.03 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1sb2 h PHE 29 CO -0.06 0.07 0.30 0.00 -2.23 0.00 0.00 178.31 176.40 1sb2 h THR 31 N 0.60 0.00 -0.05 0.00 1.35 -0.31 -1.04 112.91 113.45 1sb2 h THR 31 Ca 0.21 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1sb2 h THR 31 Cb 0.02 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1sb2 h THR 31 CO -0.09 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.56 1sb2 n GLU 32 N -3.07 1.78 -1.50 4.72 1.02 -0.70 -4.25 120.64 118.64 1sb2 n GLU 32 Ca -0.01 -1.13 -0.35 0.00 -0.02 0.00 0.00 57.16 55.65 1sb2 n GLU 32 Cb 0.23 -1.47 0.09 0.00 -0.02 0.00 0.00 31.44 30.28 1sb2 n GLU 32 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1sb2 s GLN 33 N -1.95 2.20 0.28 3.49 -1.52 -0.99 -4.88 119.66 116.28 1sb2 s GLN 33 Ca 0.36 1.93 0.02 0.00 -1.95 0.00 0.00 55.36 55.72 1sb2 s GLN 33 Cb 0.20 -1.82 0.65 0.00 -0.22 0.00 0.00 33.01 31.82 1sb2 s GLN 33 CO 0.32 -1.83 1.72 1.05 -0.25 0.00 0.00 175.29 176.30 1sb2 h GLU 34 N -0.03 0.48 -4.93 2.91 4.11 -1.92 -3.02 114.58 112.18 1sb2 h GLU 34 Ca -0.49 -0.03 -0.64 0.00 0.07 0.00 0.00 59.36 58.27 1sb2 h GLU 34 Cb 1.32 -0.11 -0.17 0.00 0.50 0.00 0.00 28.75 30.29 1sb2 h GLU 34 CO 0.50 0.31 -0.47 0.21 0.07 0.00 0.00 179.01 179.64 1sb2 s LYS 35 N -5.92 3.92 0.09 1.06 2.36 -1.26 -5.04 119.74 114.95 1sb2 s LYS 35 Ca -0.12 -0.29 -0.35 0.00 -2.55 0.00 0.00 55.97 52.66 1sb2 s LYS 35 Cb 0.24 -3.67 -0.15 0.00 -1.05 0.00 0.00 37.83 33.20 1sb2 s LYS 35 CO 0.78 -0.22 1.54 -1.91 1.55 0.00 0.00 175.35 177.09 1sb2 n GLU 36 N 5.11 1.78 -4.08 4.03 2.13 -1.14 -4.94 120.64 123.53 1sb2 n GLU 36 Ca -0.13 0.64 -0.23 0.00 0.66 0.00 0.00 57.16 58.10 1sb2 n GLU 36 Cb 0.52 -2.37 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 1sb2 n GLU 36 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sb2 n ALA 37 N 3.53 0.44 -2.16 4.31 0.00 -0.43 -4.84 120.51 121.36 1sb2 n ALA 37 Ca 0.18 -1.79 -0.09 0.00 0.00 0.00 0.00 53.44 51.74 1sb2 n ALA 37 Cb 0.25 1.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.72 1sb2 n ALA 37 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sb2 s HIS 38 N -2.73 0.81 0.61 0.00 3.76 -0.75 -2.25 115.29 114.75 1sb2 s HIS 38 Ca 0.11 -1.21 -0.19 0.00 -0.15 0.00 0.00 55.06 53.63 1sb2 s HIS 38 Cb 0.01 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.21 1sb2 s HIS 38 CO 0.08 -0.51 1.25 1.28 -0.85 0.00 0.00 174.74 175.99 1sb2 n LEU 39 N -0.08 5.49 -4.72 0.89 4.77 -1.26 -0.71 117.00 121.38 1sb2 n LEU 39 Ca -0.06 0.86 -0.41 0.00 -0.03 0.00 0.00 56.01 56.37 1sb2 n LEU 39 Cb 0.63 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.21 1sb2 n LEU 39 CO 0.30 -1.05 0.95 0.55 -1.33 0.00 0.00 177.39 176.82 1sb2 n VAL 40 N -1.65 2.62 -4.37 4.08 3.14 0.11 -4.19 118.33 118.06 1sb2 n VAL 40 Ca 0.14 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.78 1sb2 n VAL 40 Cb 0.47 -1.67 -0.12 0.00 -1.06 0.00 0.00 33.84 31.47 1sb2 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1sb2 s SER 41 N -0.50 3.03 -0.08 6.55 1.04 -1.26 -1.43 113.70 121.05 1sb2 s SER 41 Ca 0.61 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1sb2 s SER 41 Cb -0.49 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.45 1sb2 s SER 41 CO 0.58 0.05 -0.05 -0.04 0.98 0.00 0.00 173.24 174.76 1sb2 s MET 42 N -2.67 1.09 0.00 4.02 -1.94 -1.26 -4.99 119.30 113.56 1sb2 s MET 42 Ca 0.17 -0.12 0.20 0.00 -1.71 0.00 0.00 55.69 54.22 1sb2 s MET 42 Cb -0.07 -1.19 0.13 0.00 2.01 0.00 0.00 34.83 35.71 1sb2 s MET 42 CO 0.08 -0.20 1.10 0.39 -0.01 0.00 0.00 175.02 176.38 1sb2 n GLU 43 N 4.65 1.71 -3.70 2.03 1.02 -1.26 -4.96 120.64 120.11 1sb2 n GLU 43 Ca -0.15 -1.56 -0.05 0.00 -0.02 0.00 0.00 57.16 55.38 1sb2 n GLU 43 Cb 0.50 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.53 1sb2 n GLU 43 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sb2 s ASN 44 N -1.72 -0.23 0.18 1.62 2.20 -1.26 -5.04 114.94 110.69 1sb2 s ASN 44 Ca 0.22 -0.33 -0.12 0.00 -0.94 0.00 0.00 52.86 51.69 1sb2 s ASN 44 Cb 0.16 0.48 0.09 0.00 -2.00 0.00 0.00 41.25 39.98 1sb2 s ASN 44 CO 0.28 -0.87 1.75 -0.09 -2.94 0.00 0.00 177.10 175.22 1sb2 h ARG 45 N 2.00 0.92 -0.78 3.55 2.43 -1.99 -2.24 114.38 118.26 1sb2 h ARG 45 Ca -0.24 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1sb2 h ARG 45 Cb 1.24 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1sb2 h ARG 45 CO 0.27 0.76 0.52 -0.07 -1.51 0.00 0.00 179.97 179.94 1sb2 h LEU 46 N 0.86 0.89 -0.75 3.80 3.38 -1.99 0.45 115.31 121.95 1sb2 h LEU 46 Ca 0.21 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1sb2 h LEU 46 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1sb2 h LEU 46 CO -0.02 0.65 -0.07 -0.08 0.09 0.00 0.00 178.44 179.01 1sb2 h GLU 47 N 1.06 0.88 -0.59 1.13 4.81 -1.89 0.11 114.58 120.10 1sb2 h GLU 47 Ca 0.29 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1sb2 h GLU 47 Cb -0.11 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1sb2 h GLU 47 CO -0.06 0.92 0.07 0.00 -0.73 0.00 0.00 179.01 179.21 1sb2 h ALA 48 N 1.12 1.01 -0.11 2.92 0.00 -0.69 0.16 119.26 123.66 1sb2 h ALA 48 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sb2 h ALA 48 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sb2 h ALA 48 CO 0.03 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 180.13 1sb2 h VAL 49 N 0.91 1.32 -0.37 0.00 2.07 -0.53 -1.51 116.25 118.14 1sb2 h VAL 49 Ca 0.18 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.69 1sb2 h VAL 49 Cb 0.43 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1sb2 h VAL 49 CO 0.01 0.31 -0.02 0.15 0.02 0.00 0.00 177.57 178.04 1sb2 h PHE 50 N -0.12 -0.07 -0.68 1.57 3.04 -0.84 -0.74 116.94 119.11 1sb2 h PHE 50 Ca 0.03 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.01 1sb2 h PHE 50 Cb 0.51 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 1sb2 h PHE 50 CO 0.07 -0.09 0.45 0.28 -2.02 0.00 0.00 178.31 176.99 1sb2 h VAL 51 N 0.07 1.18 -0.84 1.41 2.07 -0.79 -0.97 116.25 118.37 1sb2 h VAL 51 Ca 0.18 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1sb2 h VAL 51 Cb 0.26 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1sb2 h VAL 51 CO -0.32 0.17 0.43 -0.78 0.02 0.00 0.00 177.57 177.09 1sb2 h ASP 52 N 0.92 1.08 -0.23 0.57 3.58 -0.92 -1.55 116.42 119.88 1sb2 h ASP 52 Ca 0.25 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 1sb2 h ASP 52 Cb -0.11 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.65 1sb2 h ASP 52 CO -0.05 0.89 -0.18 0.24 -2.88 0.00 0.00 179.24 177.25 1sb2 h MET 53 N 1.19 0.66 -0.48 0.28 2.86 -0.46 0.23 114.93 119.22 1sb2 h MET 53 Ca 0.29 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1sb2 h MET 53 Cb 0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1sb2 h MET 53 CO -0.04 0.81 -0.06 0.28 1.06 0.00 0.00 176.91 178.96 1sb2 h VAL 54 N 0.59 1.27 -0.05 -2.22 2.07 -0.91 -0.81 116.25 116.20 1sb2 h VAL 54 Ca 0.09 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1sb2 h VAL 54 Cb 0.64 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1sb2 h VAL 54 CO 0.05 0.40 0.02 0.24 0.02 0.00 0.00 177.57 178.30 1sb2 h MET 55 N 0.73 0.07 -0.95 1.57 2.07 -1.01 -2.33 114.93 115.08 1sb2 h MET 55 Ca 0.13 -0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.75 1sb2 h MET 55 Cb 0.59 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.26 1sb2 h MET 55 CO 0.04 0.20 0.62 0.93 1.07 0.00 0.00 176.91 179.77 1sb2 h GLU 56 N -0.08 1.26 0.00 1.72 4.39 -0.89 0.19 114.58 121.16 1sb2 h GLU 56 Ca 0.02 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1sb2 h GLU 56 Cb 0.16 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1sb2 h GLU 56 CO -0.00 0.84 -0.02 -0.97 -1.16 0.00 0.00 179.01 177.70 1sb2 h ASN 57 N 1.29 0.00 0.00 1.42 -0.73 -0.98 -0.24 115.58 116.34 1sb2 h ASN 57 Ca 0.35 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.52 1sb2 h ASN 57 Cb -0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.45 1sb2 h ASN 57 CO -0.07 0.02 -1.81 -3.20 -0.37 0.00 0.00 177.43 172.00 1sb2 n ASN 58 N -3.26 0.49 -1.06 1.15 5.15 -0.34 -4.52 115.26 112.87 1sb2 n ASN 58 Ca -0.02 -0.10 -0.02 0.00 -0.60 0.00 0.00 54.58 53.84 1sb2 n ASN 58 Cb 0.14 1.82 0.20 0.00 -0.53 0.00 0.00 39.78 41.41 1sb2 n ASN 58 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sb2 n PHE 59 N -2.12 0.91 -3.27 1.20 3.72 0.51 -4.97 117.46 113.44 1sb2 n PHE 59 Ca -0.03 -1.55 -0.23 0.00 -0.05 0.00 0.00 57.45 55.58 1sb2 n PHE 59 Cb 0.50 -0.45 0.05 0.00 -0.94 0.00 0.00 39.48 38.63 1sb2 n PHE 59 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sb2 n GLU 60 N -1.11 -5.78 -2.40 -1.08 1.02 -1.00 -1.44 120.64 108.86 1sb2 n GLU 60 Ca 0.31 0.84 -0.15 0.00 -0.02 0.00 0.00 57.16 58.13 1sb2 n GLU 60 Cb 0.98 -5.76 -0.01 0.00 -0.02 0.00 0.00 31.44 26.63 1sb2 n GLU 60 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sb2 n ASN 61 N -2.68 -4.52 -4.97 1.62 5.03 -0.14 -4.96 115.26 104.64 1sb2 n ASN 61 Ca -0.06 0.14 -0.21 0.00 0.87 0.00 0.00 54.58 55.32 1sb2 n ASN 61 Cb 0.59 -3.82 0.01 0.00 -1.02 0.00 0.00 39.78 35.54 1sb2 n ASN 61 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sb2 s LYS 62 N -4.98 3.02 0.48 3.52 1.02 -0.52 -5.07 119.74 117.20 1sb2 s LYS 62 Ca 0.00 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 1sb2 s LYS 62 Cb 0.00 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1sb2 s LYS 62 CO 0.00 -0.19 1.21 -0.89 -0.92 0.00 0.00 175.35 174.56 1sb2 n ILE 63 N -1.92 3.03 -3.92 2.17 5.41 -1.26 -4.91 119.36 117.96 1sb2 n ILE 63 Ca 0.02 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.18 1sb2 n ILE 63 Cb 0.58 -1.47 -0.05 0.00 -0.71 0.00 0.00 39.64 37.98 1sb2 n ILE 63 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1sb2 s TYR 64 N -1.28 0.25 -0.23 1.39 1.13 -1.14 -4.99 117.35 112.47 1sb2 s TYR 64 Ca 0.66 -0.61 -0.04 0.00 -1.41 0.00 0.00 57.07 55.68 1sb2 s TYR 64 Cb -0.48 0.17 0.08 0.00 -1.10 0.00 0.00 41.96 40.63 1sb2 s TYR 64 CO 0.54 -0.89 0.09 0.50 -2.51 0.00 0.00 175.55 173.28 1sb2 s ARG 65 N -3.97 0.29 -0.07 -3.49 3.52 -1.26 -0.59 118.95 113.38 1sb2 s ARG 65 Ca 0.17 -0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.40 1sb2 s ARG 65 Cb 0.00 -1.67 -0.01 0.00 -1.56 0.00 0.00 34.95 31.71 1sb2 s ARG 65 CO 0.03 -0.82 -0.20 0.45 -0.81 0.00 0.00 175.30 173.95 1sb2 s SER 66 N 2.01 3.51 0.55 -2.12 0.15 -0.47 -3.51 113.70 113.82 1sb2 s SER 66 Ca 0.05 -0.40 -0.21 0.00 0.70 0.00 0.00 55.95 56.09 1sb2 s SER 66 Cb -0.16 -1.04 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1sb2 s SER 66 CO -0.20 0.25 1.30 0.26 1.20 0.00 0.00 173.24 176.04 1sb2 s TRP 67 N -0.16 2.36 0.33 3.44 0.23 -0.41 -0.56 118.94 124.17 1sb2 s TRP 67 Ca -0.02 1.43 0.04 0.00 -2.03 0.00 0.00 56.10 55.51 1sb2 s TRP 67 Cb -0.14 -3.68 -0.06 0.00 0.03 0.00 0.00 33.47 29.62 1sb2 s TRP 67 CO 0.04 -2.60 0.06 0.96 0.96 0.00 0.00 176.95 176.36 1sb2 s ILE 68 N -1.39 1.20 -0.31 2.03 -4.36 -0.62 -4.16 121.20 113.60 1sb2 s ILE 68 Ca 0.72 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1sb2 s ILE 68 Cb -0.37 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 1sb2 s ILE 68 CO 0.43 0.00 3.05 0.61 0.24 0.00 0.00 174.94 179.26 1sb2 n GLY 69 N -0.70 3.92 3.07 6.27 0.00 -0.51 -4.54 105.19 112.71 1sb2 n GLY 69 Ca -0.02 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 1sb2 n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sb2 s LEU 70 N -1.49 1.91 -0.11 0.99 1.43 -1.26 -4.98 118.68 115.18 1sb2 s LEU 70 Ca 0.62 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1sb2 s LEU 70 Cb 0.36 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.91 1sb2 s LEU 70 CO -0.15 0.13 0.31 -0.75 0.23 0.00 0.00 176.35 176.12 1sb2 s LYS 71 N -0.05 0.39 -0.02 1.70 2.20 -1.26 -1.39 119.74 121.32 1sb2 s LYS 71 Ca 0.00 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1sb2 s LYS 71 Cb -0.08 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1sb2 s LYS 71 CO 0.00 -0.06 -0.14 0.96 -0.36 0.00 0.00 175.35 175.75 1sb2 s ILE 72 N 0.03 1.16 0.06 5.43 -4.36 0.17 -4.96 121.20 118.73 1sb2 s ILE 72 Ca -0.01 -0.61 -0.05 0.00 -0.26 0.00 0.00 60.65 59.72 1sb2 s ILE 72 Cb -0.03 -0.97 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1sb2 s ILE 72 CO 0.01 0.33 0.08 -1.83 0.24 0.00 0.00 174.94 173.77 1sb2 s GLU 73 N -0.24 0.66 -0.07 0.37 -1.05 -1.26 -0.41 118.70 116.69 1sb2 s GLU 73 Ca 0.04 -0.96 0.14 0.00 -0.15 0.00 0.00 54.97 54.03 1sb2 s GLU 73 Cb -0.07 0.25 0.45 0.00 -0.44 0.00 0.00 34.13 34.33 1sb2 s GLU 73 CO -0.00 -0.17 1.37 0.27 0.95 0.00 0.00 175.26 177.68 1sb2 n ASN 74 N 0.33 3.54 -4.19 0.83 2.04 -1.08 -1.09 115.26 115.63 1sb2 n ASN 74 Ca -0.16 -2.38 -0.33 0.00 -0.44 0.00 0.00 54.58 51.26 1sb2 n ASN 74 Cb 0.60 -0.39 -0.16 0.00 -2.53 0.00 0.00 39.78 37.31 1sb2 n ASN 74 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 1sb2 s LYS 75 N -1.69 3.09 0.53 -3.83 2.20 -1.26 -4.94 119.74 113.84 1sb2 s LYS 75 Ca 0.34 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1sb2 s LYS 75 Cb 0.22 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1sb2 s LYS 75 CO 0.15 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1sb2 n GLY 76 N 4.35 -1.80 0.01 5.54 0.00 -1.26 -4.37 105.19 107.65 1sb2 n GLY 76 Ca -0.20 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.16 1sb2 n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sb2 n GLN 77 N 0.00 0.12 -0.92 1.61 1.13 -1.26 -2.90 117.38 115.16 1sb2 n GLN 77 Ca 0.00 -0.02 -0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1sb2 n GLN 77 Cb 0.00 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.18 1sb2 n GLN 77 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1sb2 n ARG 78 N -1.42 3.98 -1.34 -1.09 0.00 -1.26 -4.90 116.66 110.63 1sb2 n ARG 78 Ca 0.08 -3.10 -0.29 0.00 -0.00 0.00 0.00 57.85 54.54 1sb2 n ARG 78 Cb 0.32 -2.18 0.17 0.00 0.00 0.00 0.00 32.46 30.77 1sb2 n ARG 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1sb2 s SER 79 N -1.11 2.71 -0.07 6.15 1.04 -1.14 -4.72 113.70 116.56 1sb2 s SER 79 Ca 0.53 0.96 0.01 0.00 0.48 0.00 0.00 55.95 57.93 1sb2 s SER 79 Cb 0.42 -1.50 0.10 0.00 0.10 0.00 0.00 66.02 65.15 1sb2 s SER 79 CO 0.13 -3.05 1.14 -0.46 0.98 0.00 0.00 173.24 171.99 1sb2 n ASN 80 N -4.09 3.11 -4.56 7.02 2.04 -0.25 -4.88 115.26 113.65 1sb2 n ASN 80 Ca 0.07 -2.25 -0.29 0.00 -0.44 0.00 0.00 54.58 51.67 1sb2 n ASN 80 Cb 0.59 -0.55 -0.10 0.00 -2.53 0.00 0.00 39.78 37.18 1sb2 n ASN 80 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1sb2 s LEU 81 N -0.51 2.98 0.01 -4.53 1.43 -1.26 -5.06 118.68 111.74 1sb2 s LEU 81 Ca 0.09 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1sb2 s LEU 81 Cb 0.07 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1sb2 s LEU 81 CO 0.02 0.16 0.38 -1.83 0.23 0.00 0.00 176.35 175.31 1sb2 s GLU 82 N -2.31 0.80 -0.11 1.70 -1.05 -1.26 -4.93 118.70 111.53 1sb2 s GLU 82 Ca 0.21 -0.23 -0.10 0.00 -0.15 0.00 0.00 54.97 54.71 1sb2 s GLU 82 Cb -0.11 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1sb2 s GLU 82 CO 0.14 -0.25 0.21 -1.58 0.95 0.00 0.00 175.26 174.73 1sb2 s TRP 83 N -1.80 3.58 0.60 4.83 0.52 -1.26 -5.00 118.94 120.42 1sb2 s TRP 83 Ca -0.10 0.60 0.34 0.00 0.02 0.00 0.00 56.10 56.97 1sb2 s TRP 83 Cb -0.03 -2.09 2.00 0.00 -1.15 0.00 0.00 33.47 32.21 1sb2 s TRP 83 CO 0.02 0.60 2.29 0.66 0.02 0.00 0.00 176.95 180.54 1sb2 h SER 84 N 5.36 0.00 -0.32 2.95 4.64 -2.01 -0.93 113.55 123.23 1sb2 h SER 84 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1sb2 h SER 84 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1sb2 h SER 84 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1sb2 n ASP 85 N -3.60 1.82 0.00 4.97 3.85 -1.26 -4.93 116.55 117.40 1sb2 n ASP 85 Ca -0.03 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 1sb2 n ASP 85 Cb 0.08 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 1sb2 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sb2 n GLY 86 N 1.06 0.51 3.77 6.12 0.00 -0.35 -5.01 105.19 111.29 1sb2 n GLY 86 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1sb2 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sb2 s SER 87 N -2.35 4.55 0.65 1.61 1.04 -1.26 -4.96 113.70 112.97 1sb2 s SER 87 Ca 0.00 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 58.02 1sb2 s SER 87 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 1sb2 s SER 87 CO 0.00 -1.99 1.05 -0.94 0.98 0.00 0.00 173.24 172.34 1sb2 s SER 88 N -3.50 5.73 -0.98 7.02 1.04 -1.26 -4.35 113.70 117.39 1sb2 s SER 88 Ca 0.61 1.60 -0.24 0.00 0.48 0.00 0.00 55.95 58.40 1sb2 s SER 88 Cb -0.16 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.51 1sb2 s SER 88 CO 0.56 -1.21 1.43 -0.63 0.98 0.00 0.00 173.24 174.38 1sb2 s ILE 89 N -2.95 3.89 -0.78 -1.02 -1.09 -1.26 -4.75 121.20 113.24 1sb2 s ILE 89 Ca 0.58 -0.61 0.13 0.00 -2.23 0.00 0.00 60.65 58.52 1sb2 s ILE 89 Cb -0.13 -5.03 -0.10 0.00 -1.58 0.00 0.00 42.46 35.62 1sb2 s ILE 89 CO 0.50 -1.92 0.60 -1.54 -1.23 0.00 0.00 174.94 171.36 1sb2 n SER 90 N 9.01 0.85 -3.69 3.58 3.41 -1.26 -4.13 113.62 121.39 1sb2 n SER 90 Ca 0.29 -0.92 -0.13 0.00 -0.26 0.00 0.00 58.87 57.85 1sb2 n SER 90 Cb 0.51 0.84 -0.09 0.00 -0.26 0.00 0.00 64.21 65.21 1sb2 n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sb2 s TYR 91 N -2.03 -0.61 0.01 7.33 5.04 -1.26 -5.14 117.35 120.68 1sb2 s TYR 91 Ca 0.07 1.46 0.02 0.00 -2.44 0.00 0.00 57.07 56.17 1sb2 s TYR 91 Cb 0.10 0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.63 1sb2 s TYR 91 CO 0.46 -0.30 -0.05 -1.21 -1.34 0.00 0.00 175.55 173.11 1sb2 s GLU 92 N 0.44 0.40 -0.37 4.97 2.02 -1.26 -5.06 118.70 119.84 1sb2 s GLU 92 Ca -0.01 -0.30 0.13 0.00 0.02 0.00 0.00 54.97 54.81 1sb2 s GLU 92 Cb -0.04 -0.33 0.37 0.00 0.10 0.00 0.00 34.13 34.23 1sb2 s GLU 92 CO -0.01 0.08 0.76 -1.71 0.02 0.00 0.00 175.26 174.40 1sb2 n ASN 93 N 2.61 0.97 -4.76 -0.19 5.15 -1.26 -5.11 115.26 112.68 1sb2 n ASN 93 Ca -0.15 -2.98 -0.41 0.00 -0.60 0.00 0.00 54.58 50.44 1sb2 n ASN 93 Cb 0.58 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 1sb2 n ASN 93 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sb2 s LEU 94 N -2.54 4.46 0.09 1.20 1.43 -1.26 -4.96 118.68 117.10 1sb2 s LEU 94 Ca 0.38 2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 55.78 1sb2 s LEU 94 Cb 0.36 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 1sb2 s LEU 94 CO -0.06 -0.41 1.62 0.22 0.23 0.00 0.00 176.35 177.94 1sb2 h TYR 95 N 3.93 0.26 -4.13 0.29 5.03 -2.05 -3.45 116.97 116.85 1sb2 h TYR 95 Ca -0.47 -0.02 -0.52 0.00 2.58 0.00 0.00 58.73 60.29 1sb2 h TYR 95 Cb 1.22 -0.08 0.11 0.00 1.55 0.00 0.00 36.73 39.53 1sb2 h TYR 95 CO 0.58 0.33 0.43 -1.83 -1.32 0.00 0.00 178.16 176.35 1sb2 s GLU 96 N -5.52 2.87 0.72 1.82 -1.05 -1.26 -5.00 118.70 111.27 1sb2 s GLU 96 Ca -0.14 1.70 -0.11 0.00 -0.15 0.00 0.00 54.97 56.28 1sb2 s GLU 96 Cb 0.07 -1.93 0.02 0.00 -0.44 0.00 0.00 34.13 31.85 1sb2 s GLU 96 CO 0.70 -1.26 1.07 -1.25 0.95 0.00 0.00 175.26 175.47 1sb2 s PRO 97 N -3.55 2.73 0.14 -4.83 0.04 -1.26 -5.00 135.00 123.26 1sb2 s PRO 97 Ca 0.74 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 1sb2 s PRO 97 Cb -0.27 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1sb2 s PRO 97 CO 0.35 -1.26 1.48 0.71 0.04 0.00 0.00 177.00 178.32 1sb2 s TYR 98 N -3.01 3.15 0.07 0.56 2.02 -1.26 -4.98 117.35 113.90 1sb2 s TYR 98 Ca 0.59 0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 57.95 1sb2 s TYR 98 Cb -0.15 -3.80 0.02 0.00 -0.40 0.00 0.00 41.96 37.62 1sb2 s TYR 98 CO 0.55 -2.90 0.30 -1.64 -1.57 0.00 0.00 175.55 170.30 1sb2 s MET 99 N 1.08 0.86 0.02 -0.62 -1.94 -1.26 -5.04 119.30 112.40 1sb2 s MET 99 Ca 0.67 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 54.05 1sb2 s MET 99 Cb -0.40 0.37 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 1sb2 s MET 99 CO 0.31 -0.29 -0.09 -1.83 -0.01 0.00 0.00 175.02 173.11 1sb2 s GLU 100 N -3.02 0.66 -0.06 2.03 -1.05 -1.26 -2.65 118.70 113.35 1sb2 s GLU 100 Ca -0.02 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 1sb2 s GLU 100 Cb 0.01 -0.59 0.02 0.00 -0.44 0.00 0.00 34.13 33.12 1sb2 s GLU 100 CO -0.06 0.15 -0.06 0.15 0.95 0.00 0.00 175.26 176.39 1sb2 s LYS 101 N -0.77 1.06 0.00 -4.83 1.02 0.45 -4.56 119.74 112.10 1sb2 s LYS 101 Ca -0.01 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1sb2 s LYS 101 Cb -0.06 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 1sb2 s LYS 101 CO 0.00 -0.10 -0.03 0.00 -0.92 0.00 0.00 175.35 174.30 1sb2 s PHE 103 N -1.05 3.53 0.09 0.00 0.40 -0.49 -0.34 117.98 120.12 1sb2 s PHE 103 Ca 0.19 0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 56.74 1sb2 s PHE 103 Cb -0.11 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1sb2 s PHE 103 CO 0.09 0.60 0.12 -0.48 0.70 0.00 0.00 175.22 176.26 1sb2 s LEU 104 N -2.37 1.72 -0.20 -0.37 0.05 -0.28 -1.58 118.68 115.66 1sb2 s LEU 104 Ca 0.33 -0.81 -0.08 0.00 0.05 0.00 0.00 54.13 53.62 1sb2 s LEU 104 Cb -0.13 0.76 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 1sb2 s LEU 104 CO 0.26 -0.71 0.08 0.00 -0.55 0.00 0.00 176.35 175.43 1sb2 s MET 105 N -3.90 3.99 -0.38 1.48 0.23 0.27 -0.29 119.30 120.71 1sb2 s MET 105 Ca 0.08 -0.33 -0.03 0.00 -1.03 0.00 0.00 55.69 54.38 1sb2 s MET 105 Cb 0.06 -3.29 0.09 0.00 -1.53 0.00 0.00 34.83 30.16 1sb2 s MET 105 CO -0.09 0.22 0.15 0.34 -2.03 0.00 0.00 175.02 173.61 1sb2 s ASP 106 N 0.54 5.21 -0.41 -1.18 3.68 -1.05 -1.37 116.67 122.08 1sb2 s ASP 106 Ca 0.04 -1.74 -0.26 0.00 2.13 0.00 0.00 52.55 52.73 1sb2 s ASP 106 Cb -0.13 -1.82 0.02 0.00 -1.45 0.00 0.00 42.92 39.55 1sb2 s ASP 106 CO 0.01 -0.46 0.94 -2.28 0.13 0.00 0.00 175.17 173.50 1sb2 s HIS 107 N 1.21 2.99 -0.05 -5.34 5.65 0.24 -4.21 115.29 115.78 1sb2 s HIS 107 Ca 0.04 0.60 -0.07 0.00 0.25 0.00 0.00 55.06 55.88 1sb2 s HIS 107 Cb -0.22 -3.83 -0.02 0.00 -1.18 0.00 0.00 32.58 27.33 1sb2 s HIS 107 CO -0.02 -0.97 -0.13 1.04 -0.65 0.00 0.00 174.74 174.01 1sb2 n GLN 108 N 7.01 0.19 -3.67 2.88 1.13 -1.26 -2.89 117.38 120.76 1sb2 n GLN 108 Ca 0.07 0.08 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 1sb2 n GLN 108 Cb 0.48 -0.77 -0.13 0.00 0.11 0.00 0.00 30.24 29.93 1sb2 n GLN 108 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1sb2 s SER 109 N -5.20 0.27 0.00 1.08 1.04 -1.26 -4.83 113.70 104.80 1sb2 s SER 109 Ca -0.11 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1sb2 s SER 109 Cb 0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1sb2 s SER 109 CO 0.16 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1sb2 n GLY 110 N 5.19 -1.91 3.68 7.32 0.00 -1.26 -4.83 105.19 113.37 1sb2 n GLY 110 Ca -0.09 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1sb2 n GLY 110 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sb2 s LEU 111 N 0.00 4.39 0.28 0.99 2.96 -1.26 -4.87 118.68 121.16 1sb2 s LEU 111 Ca 0.00 2.59 -0.30 0.00 -0.22 0.00 0.00 54.13 56.20 1sb2 s LEU 111 Cb 0.00 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 1sb2 s LEU 111 CO 0.00 -0.96 1.41 -2.16 -1.32 0.00 0.00 176.35 173.32 1sb2 s PRO 112 N 3.13 4.28 0.72 0.98 0.04 -1.26 -4.96 135.00 137.93 1sb2 s PRO 112 Ca 0.79 2.30 -0.11 0.00 0.04 0.00 0.00 61.00 64.01 1sb2 s PRO 112 Cb -0.42 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1sb2 s PRO 112 CO 0.35 -0.37 1.11 0.15 0.04 0.00 0.00 177.00 178.28 1sb2 s LYS 113 N -0.87 2.69 -0.27 4.56 -0.14 -1.26 -4.78 119.74 119.67 1sb2 s LYS 113 Ca 0.56 0.38 -0.08 0.00 -1.36 0.00 0.00 55.97 55.47 1sb2 s LYS 113 Cb -0.42 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 1sb2 s LYS 113 CO 0.47 -1.13 0.09 -1.58 -0.76 0.00 0.00 175.35 172.44 1sb2 s TRP 114 N -3.39 3.12 0.28 3.18 0.51 -1.26 -2.53 118.94 118.85 1sb2 s TRP 114 Ca 0.59 -0.59 0.09 0.00 -2.12 0.00 0.00 56.10 54.06 1sb2 s TRP 114 Cb -0.11 -2.27 -0.04 0.00 -0.81 0.00 0.00 33.47 30.24 1sb2 s TRP 114 CO 0.51 -0.44 0.06 -1.01 -0.51 0.00 0.00 176.95 175.57 1sb2 s HIS 115 N 1.59 2.76 0.17 -1.98 3.76 0.60 -4.90 115.29 117.28 1sb2 s HIS 115 Ca 0.05 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1sb2 s HIS 115 Cb -0.16 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 1sb2 s HIS 115 CO 0.04 0.54 0.33 0.95 -0.85 0.00 0.00 174.74 175.75 1sb2 s THR 116 N -2.32 5.27 0.16 1.30 -4.23 -1.26 -1.12 115.64 113.44 1sb2 s THR 116 Ca 0.33 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 60.15 1sb2 s THR 116 Cb -0.06 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1sb2 s THR 116 CO 0.21 -0.11 0.48 0.00 -0.54 0.00 0.00 174.62 174.67 1sb2 s ALA 117 N -1.78 -1.06 -0.15 3.99 0.00 0.54 -4.94 121.76 118.36 1sb2 s ALA 117 Ca 0.36 -0.00 -0.36 0.00 0.00 0.00 0.00 51.96 51.96 1sb2 s ALA 117 Cb -0.11 0.79 -0.13 0.00 0.00 0.00 0.00 23.12 23.67 1sb2 s ALA 117 CO 0.29 -0.72 1.87 -3.47 0.00 0.00 0.00 175.76 173.72 1sb2 n ASP 118 N -0.30 3.13 0.27 0.00 2.03 -1.26 -1.40 116.55 119.02 1sb2 n ASP 118 Ca -0.14 0.97 0.18 0.00 0.52 0.00 0.00 54.79 56.32 1sb2 n ASP 118 Cb 0.64 -1.31 0.93 0.00 -0.72 0.00 0.00 41.12 40.66 1sb2 n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sb2 n GLU 120 N -3.48 1.39 -1.78 0.00 -0.58 -1.26 -1.41 120.64 113.52 1sb2 n GLU 120 Ca -0.01 -0.62 -0.37 0.00 -0.42 0.00 0.00 57.16 55.74 1sb2 n GLU 120 Cb 0.25 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.69 1sb2 n GLU 120 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1sb2 s GLU 121 N -2.04 2.66 -0.40 3.49 2.02 -0.69 -4.76 118.70 118.99 1sb2 s GLU 121 Ca 0.40 2.05 -0.15 0.00 0.02 0.00 0.00 54.97 57.30 1sb2 s GLU 121 Cb 0.21 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.56 1sb2 s GLU 121 CO 0.36 -1.51 0.29 0.15 0.02 0.00 0.00 175.26 174.57 1sb2 s LYS 122 N -3.32 3.02 0.18 1.61 1.02 -1.26 -3.74 119.74 117.25 1sb2 s LYS 122 Ca 0.81 -0.98 0.07 0.00 0.02 0.00 0.00 55.97 55.89 1sb2 s LYS 122 Cb -0.37 -3.95 -0.05 0.00 -0.52 0.00 0.00 37.83 32.95 1sb2 s LYS 122 CO 0.40 -0.71 -0.14 -0.80 -0.92 0.00 0.00 175.35 173.17 1sb2 s ASN 123 N 1.68 2.39 1.04 2.83 0.02 -0.44 -4.67 114.94 117.78 1sb2 s ASN 123 Ca 0.05 -0.99 -0.12 0.00 -1.02 0.00 0.00 52.86 50.78 1sb2 s ASN 123 Cb -0.19 -0.11 0.21 0.00 0.02 0.00 0.00 41.25 41.19 1sb2 s ASN 123 CO 0.10 -0.19 1.07 0.68 0.02 0.00 0.00 177.10 178.78 1sb2 s VAL 124 N -2.90 2.13 0.26 1.60 -7.23 -1.23 -1.17 120.40 111.86 1sb2 s VAL 124 Ca 0.20 0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 60.20 1sb2 s VAL 124 Cb -0.01 -2.36 0.05 0.00 0.56 0.00 0.00 36.38 34.62 1sb2 s VAL 124 CO 0.05 -0.06 0.84 0.72 -0.31 0.00 0.00 175.10 176.34 1sb2 s PHE 125 N -2.77 -0.07 -0.01 2.82 -0.12 -1.01 -1.29 117.98 115.53 1sb2 s PHE 125 Ca 0.66 -0.40 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1sb2 s PHE 125 Cb -0.21 0.72 -0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1sb2 s PHE 125 CO 0.60 -1.18 -0.09 1.41 -0.05 0.00 0.00 175.22 175.91 1sb2 s MET 126 N -3.17 0.85 0.09 1.99 -2.45 -1.26 -0.12 119.30 115.24 1sb2 s MET 126 Ca 0.14 -0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.26 1sb2 s MET 126 Cb -0.04 -0.81 -0.04 0.00 1.25 0.00 0.00 34.83 35.19 1sb2 s MET 126 CO 0.07 0.17 0.19 0.00 1.05 0.00 0.00 175.02 176.50 1sb2 s LYS 128 N -2.71 0.19 0.16 0.00 2.20 0.11 -1.14 119.74 118.55 1sb2 s LYS 128 Ca 0.33 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.73 1sb2 s LYS 128 Cb -0.12 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1sb2 s LYS 128 CO 0.26 -0.03 0.34 -0.59 -0.36 0.00 0.00 175.35 174.97 1sb2 s PHE 129 N -0.44 0.16 -0.12 4.03 -0.12 -0.53 -1.81 117.98 119.15 1sb2 s PHE 129 Ca -0.05 -0.53 -0.16 0.00 -0.05 0.00 0.00 56.93 56.15 1sb2 s PHE 129 Cb -0.03 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 1sb2 s PHE 129 CO 0.00 -0.74 0.38 -1.14 -0.05 0.00 0.00 175.22 173.67 1sb2 s GLN 130 N -3.91 4.21 0.72 1.99 0.74 -1.26 -0.67 119.66 121.49 1sb2 s GLN 130 Ca 0.12 0.28 -0.15 0.00 0.05 0.00 0.00 55.36 55.66 1sb2 s GLN 130 Cb 0.02 -3.39 0.03 0.00 1.10 0.00 0.00 33.01 30.78 1sb2 s GLN 130 CO -0.04 0.29 1.19 -0.51 -0.55 0.00 0.00 175.29 175.67 1sb2 s LEU 131 N 0.24 3.32 0.00 3.68 1.43 0.80 -4.96 118.68 123.19 1sb2 s LEU 131 Ca 0.21 2.28 0.12 0.00 -1.03 0.00 0.00 54.13 55.72 1sb2 s LEU 131 Cb -0.14 -4.58 0.74 0.00 0.03 0.00 0.00 46.19 42.23 1sb2 s LEU 131 CO 0.08 -2.16 1.17 -0.81 0.23 0.00 0.00 176.35 174.86