#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b55 n ALA 3 N 0.00 0.00 -0.91 0.00 0.00 -1.26 -5.09 120.51 113.25 1b55 n ALA 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1b55 n ALA 3 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1b55 n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b55 s VAL 4 N 0.00 2.05 0.00 0.00 1.01 -1.26 -4.43 120.40 117.77 1b55 s VAL 4 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1b55 s VAL 4 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1b55 s VAL 4 CO 0.00 -0.02 0.15 -0.38 0.00 0.00 0.00 175.10 174.85 1b55 n ILE 5 N -3.74 0.00 0.00 2.22 -0.00 0.72 -4.90 119.36 113.66 1b55 n ILE 5 Ca 0.13 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 1b55 n ILE 5 Cb 0.51 1.41 0.00 0.00 -0.00 0.00 0.00 39.64 41.57 1b55 n ILE 5 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1b55 n LEU 6 N -0.12 0.00 0.00 1.39 7.94 -1.23 -4.92 117.00 120.06 1b55 n LEU 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1b55 n LEU 6 Cb 0.10 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1b55 n LEU 6 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.49 1b55 n GLU 7 N -0.14 0.00 -1.75 1.96 2.13 -1.23 -2.84 120.64 118.77 1b55 n GLU 7 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1b55 n GLU 7 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b55 n GLU 7 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1b55 n SER 8 N 0.00 -0.35 -3.76 4.31 7.64 0.22 -4.94 113.62 116.73 1b55 n SER 8 Ca 0.00 -1.33 -0.30 0.00 1.01 0.00 0.00 58.87 58.26 1b55 n SER 8 Cb 0.00 0.61 -0.15 0.00 -1.01 0.00 0.00 64.21 63.66 1b55 n SER 8 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1b55 s ILE 9 N -2.69 0.96 0.43 0.44 1.01 -1.26 -0.44 121.20 119.65 1b55 s ILE 9 Ca 0.04 -1.37 0.07 0.00 0.00 0.00 0.00 60.65 59.40 1b55 s ILE 9 Cb -0.01 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1b55 s ILE 9 CO 0.03 -0.60 0.27 -0.36 0.00 0.00 0.00 174.94 174.29 1b55 s PHE 10 N 1.59 2.52 0.30 3.97 0.08 -0.26 -4.81 117.98 121.36 1b55 s PHE 10 Ca 0.08 -0.59 -0.01 0.00 0.12 0.00 0.00 56.93 56.53 1b55 s PHE 10 Cb -0.17 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1b55 s PHE 10 CO -0.22 0.00 0.51 -1.17 -0.10 0.00 0.00 175.22 174.25 1b55 s LEU 11 N -4.03 4.08 -0.20 -0.37 2.96 -0.88 0.31 118.68 120.55 1b55 s LEU 11 Ca 0.42 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.66 1b55 s LEU 11 Cb 0.01 -3.33 0.06 0.00 0.50 0.00 0.00 46.19 43.42 1b55 s LEU 11 CO 0.24 -0.21 0.53 -1.59 -1.32 0.00 0.00 176.35 174.00 1b55 s LYS 12 N -3.90 0.59 0.46 1.98 -2.85 -0.08 -0.40 119.74 115.54 1b55 s LYS 12 Ca 0.40 0.80 -0.11 0.00 -1.00 0.00 0.00 55.97 56.07 1b55 s LYS 12 Cb -0.10 0.23 -0.06 0.00 -2.06 0.00 0.00 37.83 35.84 1b55 s LYS 12 CO 0.33 -0.10 0.83 0.50 0.10 0.00 0.00 175.35 177.01 1b55 s ARG 13 N 0.61 3.75 0.27 1.78 3.52 -0.87 -1.19 118.95 126.81 1b55 s ARG 13 Ca -0.03 0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 55.79 1b55 s ARG 13 Cb -0.05 -2.32 -0.12 0.00 -1.56 0.00 0.00 34.95 30.90 1b55 s ARG 13 CO -0.04 -0.15 1.53 0.45 -0.81 0.00 0.00 175.30 176.28 1b55 n SER 14 N -1.65 3.43 0.21 -2.12 2.88 1.03 -4.78 113.62 112.63 1b55 n SER 14 Ca 0.03 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.85 1b55 n SER 14 Cb 0.54 -1.53 0.37 0.00 -0.75 0.00 0.00 64.21 62.84 1b55 n SER 14 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1b55 h GLN 15 N 4.62 0.00 0.00 -1.46 4.20 -1.90 -3.44 115.11 117.12 1b55 h GLN 15 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1b55 h GLN 15 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1b55 h GLN 15 CO 0.78 0.00 0.00 0.94 -0.67 0.00 0.00 178.83 179.88 1b55 n GLN 16 N -2.88 -1.35 -0.05 1.46 7.27 -1.26 -4.84 117.38 115.73 1b55 n GLN 16 Ca 0.03 0.33 0.02 0.00 0.07 0.00 0.00 57.00 57.45 1b55 n GLN 16 Cb 0.43 -4.78 0.04 0.00 2.41 0.00 0.00 30.24 28.34 1b55 n GLN 16 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1b55 n LYS 17 N 0.03 -0.01 -3.44 3.69 4.01 -1.26 -4.17 118.16 117.00 1b55 n LYS 17 Ca 0.00 0.21 -0.30 0.00 -0.51 0.00 0.00 58.31 57.70 1b55 n LYS 17 Cb 0.33 -0.33 -0.04 0.00 -0.51 0.00 0.00 35.03 34.48 1b55 n LYS 17 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1b55 s LYS 18 N -4.83 3.69 0.25 1.97 1.02 -1.26 -4.95 119.74 115.62 1b55 s LYS 18 Ca -0.02 0.07 -0.02 0.00 0.02 0.00 0.00 55.97 56.02 1b55 s LYS 18 Cb 0.04 -2.69 0.29 0.00 -0.52 0.00 0.00 37.83 34.95 1b55 s LYS 18 CO 0.11 0.31 1.70 0.87 -0.92 0.00 0.00 175.35 177.42 1b55 h LYS 19 N 2.23 0.74 -0.12 1.68 1.57 -2.03 -2.57 116.57 118.07 1b55 h LYS 19 Ca -0.47 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1b55 h LYS 19 Cb 1.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1b55 h LYS 19 CO 0.69 0.83 0.07 1.79 -0.57 0.00 0.00 179.45 182.26 1b55 h THR 20 N 0.67 1.07 -0.78 -0.16 1.35 -1.92 -3.45 112.91 109.68 1b55 h THR 20 Ca 0.11 -0.17 -0.70 0.00 -0.55 0.00 0.00 66.41 65.09 1b55 h THR 20 Cb 0.59 0.97 0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1b55 h THR 20 CO 0.04 0.06 0.57 -1.20 -0.25 0.00 0.00 175.52 174.74 1b55 n SER 21 N -4.98 0.96 -4.12 5.36 7.64 -0.97 -4.93 113.62 112.59 1b55 n SER 21 Ca -0.05 0.95 -0.30 0.00 1.01 0.00 0.00 58.87 60.48 1b55 n SER 21 Cb 0.05 -0.71 0.20 0.00 -1.01 0.00 0.00 64.21 62.74 1b55 n SER 21 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1b55 s PRO 22 N 2.47 0.09 -0.17 1.43 0.04 -1.26 -4.84 135.00 132.76 1b55 s PRO 22 Ca 0.85 -0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.62 1b55 s PRO 22 Cb -1.21 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1b55 s PRO 22 CO 0.66 -2.82 0.06 -1.17 0.04 0.00 0.00 177.00 173.77 1b55 s LEU 23 N -6.26 3.82 0.32 -3.56 2.96 -1.26 -4.75 118.68 109.96 1b55 s LEU 23 Ca 0.71 0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 54.55 1b55 s LEU 23 Cb -0.07 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.71 1b55 s LEU 23 CO 0.54 0.22 0.78 0.54 -1.32 0.00 0.00 176.35 177.10 1b55 s ASN 24 N 0.11 -0.12 0.01 3.68 2.20 -1.26 -4.88 114.94 114.68 1b55 s ASN 24 Ca 0.05 -0.86 0.07 0.00 -0.94 0.00 0.00 52.86 51.18 1b55 s ASN 24 Cb -0.12 0.77 -0.03 0.00 -2.00 0.00 0.00 41.25 39.87 1b55 s ASN 24 CO 0.01 -1.48 -0.20 -0.36 -2.94 0.00 0.00 177.10 172.12 1b55 s PHE 25 N -3.04 2.50 0.10 1.54 0.40 -1.25 0.34 117.98 118.57 1b55 s PHE 25 Ca 0.14 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1b55 s PHE 25 Cb -0.05 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1b55 s PHE 25 CO 0.09 0.16 -0.18 0.15 0.70 0.00 0.00 175.22 176.14 1b55 s LYS 26 N -1.08 1.05 -0.18 0.44 -0.14 -0.34 -4.88 119.74 114.61 1b55 s LYS 26 Ca 0.13 -1.15 -0.17 0.00 -1.36 0.00 0.00 55.97 53.42 1b55 s LYS 26 Cb -0.10 -1.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.84 1b55 s LYS 26 CO 0.02 0.26 0.45 0.21 -0.76 0.00 0.00 175.35 175.54 1b55 s LYS 27 N -2.07 4.23 0.13 1.68 2.20 -1.26 -0.90 119.74 123.74 1b55 s LYS 27 Ca 0.06 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 55.94 1b55 s LYS 27 Cb -0.09 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1b55 s LYS 27 CO 0.04 -0.01 0.16 1.03 -0.36 0.00 0.00 175.35 176.20 1b55 s ARG 28 N 1.20 0.98 -0.37 4.03 1.81 0.15 -4.62 118.95 122.14 1b55 s ARG 28 Ca 0.22 -1.25 -0.12 0.00 -1.72 0.00 0.00 55.73 52.85 1b55 s ARG 28 Cb -0.15 0.31 0.01 0.00 -0.45 0.00 0.00 34.95 34.67 1b55 s ARG 28 CO 0.09 -0.31 0.23 -1.17 -0.68 0.00 0.00 175.30 173.46 1b55 s LEU 29 N -2.98 4.70 -0.12 2.53 2.96 0.56 -1.10 118.68 125.23 1b55 s LEU 29 Ca 0.17 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 1b55 s LEU 29 Cb 0.05 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1b55 s LEU 29 CO -0.02 -0.34 0.26 -0.36 -1.32 0.00 0.00 176.35 174.57 1b55 s PHE 30 N 1.64 3.55 0.42 5.38 0.40 0.41 -1.20 117.98 128.58 1b55 s PHE 30 Ca 0.04 0.63 0.08 0.00 -0.60 0.00 0.00 56.93 57.08 1b55 s PHE 30 Cb -0.18 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1b55 s PHE 30 CO 0.08 0.48 0.33 -0.51 0.70 0.00 0.00 175.22 176.30 1b55 s LEU 31 N -0.31 3.32 -0.17 -0.37 1.43 -0.03 -0.61 118.68 121.94 1b55 s LEU 31 Ca 0.17 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1b55 s LEU 31 Cb -0.13 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.27 1b55 s LEU 31 CO 0.05 -0.63 0.38 -0.22 0.23 0.00 0.00 176.35 176.16 1b55 s LEU 32 N -4.08 -0.34 0.00 1.79 2.96 -1.13 -3.22 118.68 114.66 1b55 s LEU 32 Ca 0.46 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 1b55 s LEU 32 Cb -0.01 1.20 0.00 0.00 0.50 0.00 0.00 46.19 47.88 1b55 s LEU 32 CO 0.26 -0.22 0.00 0.35 -1.32 0.00 0.00 176.35 175.43 1b55 n THR 33 N 4.93 0.00 -0.12 3.68 -2.24 -1.00 0.26 114.28 119.79 1b55 n THR 33 Ca -0.14 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.38 1b55 n THR 33 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1b55 n THR 33 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1b55 n VAL 34 N 0.00 1.53 0.16 2.28 0.24 -1.26 -4.40 118.33 116.89 1b55 n VAL 34 Ca 0.00 -0.22 -0.07 0.00 -2.04 0.00 0.00 64.34 62.01 1b55 n VAL 34 Cb 0.00 -1.95 -0.04 0.00 -1.47 0.00 0.00 33.84 30.38 1b55 n VAL 34 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1b55 h HIS 35 N -0.98 -0.50 -1.34 6.34 3.86 -1.97 -3.37 115.15 117.18 1b55 h HIS 35 Ca -0.54 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.04 1b55 h HIS 35 Cb 1.48 0.18 -0.13 0.00 1.06 0.00 0.00 27.41 30.00 1b55 h HIS 35 CO 0.00 -0.28 -0.52 -1.59 0.86 0.00 0.00 177.93 176.40 1b55 s LYS 36 N -4.09 2.07 -0.19 2.45 -2.85 -1.26 0.12 119.74 115.98 1b55 s LYS 36 Ca -0.07 -2.29 0.00 0.00 -1.00 0.00 0.00 55.97 52.61 1b55 s LYS 36 Cb 0.01 -1.18 0.05 0.00 -2.06 0.00 0.00 37.83 34.65 1b55 s LYS 36 CO 0.22 -0.38 -0.07 -1.17 0.10 0.00 0.00 175.35 174.05 1b55 s LEU 37 N -3.76 2.04 0.12 2.77 2.96 -0.27 -2.38 118.68 120.17 1b55 s LEU 37 Ca 0.15 -0.85 0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1b55 s LEU 37 Cb 0.03 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1b55 s LEU 37 CO 0.08 -0.18 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.81 1b55 s SER 38 N 1.50 3.88 0.01 3.68 1.04 -1.20 -1.34 113.70 121.27 1b55 s SER 38 Ca -0.01 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1b55 s SER 38 Cb -0.16 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 1b55 s SER 38 CO -0.08 0.18 -0.12 -0.72 0.98 0.00 0.00 173.24 173.48 1b55 s TYR 39 N -1.16 1.03 0.34 5.02 1.13 0.30 -0.85 117.35 123.16 1b55 s TYR 39 Ca 0.18 -0.27 0.05 0.00 -1.41 0.00 0.00 57.07 55.62 1b55 s TYR 39 Cb -0.10 -0.64 -0.07 0.00 -1.10 0.00 0.00 41.96 40.05 1b55 s TYR 39 CO 0.10 -0.00 0.04 0.71 -2.51 0.00 0.00 175.55 173.89 1b55 s TYR 40 N -0.57 2.09 0.21 -3.49 1.51 -0.34 0.06 117.35 116.81 1b55 s TYR 40 Ca 0.02 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 54.91 1b55 s TYR 40 Cb -0.06 -1.38 -0.08 0.00 -0.11 0.00 0.00 41.96 40.33 1b55 s TYR 40 CO 0.00 0.13 1.11 -2.00 -1.11 0.00 0.00 175.55 173.68 1b55 s GLU 41 N -3.84 4.60 -0.20 -0.62 2.12 0.12 -0.32 118.70 120.55 1b55 s GLU 41 Ca 0.36 1.76 -0.14 0.00 0.36 0.00 0.00 54.97 57.31 1b55 s GLU 41 Cb 0.09 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1b55 s GLU 41 CO 0.16 0.11 0.30 -0.47 -0.54 0.00 0.00 175.26 174.81 1b55 s TYR 42 N -0.51 3.38 -1.32 5.30 5.04 -1.26 0.14 117.35 128.11 1b55 s TYR 42 Ca 0.48 0.49 -0.15 0.00 -2.44 0.00 0.00 57.07 55.45 1b55 s TYR 42 Cb -0.30 -2.40 0.10 0.00 0.35 0.00 0.00 41.96 39.70 1b55 s TYR 42 CO 0.37 0.07 1.81 -3.47 -1.34 0.00 0.00 175.55 173.00 1b55 n ASP 43 N 4.20 4.76 -0.25 4.32 -0.08 1.52 -4.76 116.55 126.26 1b55 n ASP 43 Ca -0.11 -2.94 0.04 0.00 -1.51 0.00 0.00 54.79 50.27 1b55 n ASP 43 Cb 0.52 -1.65 0.18 0.00 2.34 0.00 0.00 41.12 42.50 1b55 n ASP 43 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1b55 h PHE 44 N 6.82 0.50 0.34 -0.67 3.57 -1.95 1.58 116.94 127.13 1b55 h PHE 44 Ca 0.44 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 1b55 h PHE 44 Cb 0.78 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1b55 h PHE 44 CO 1.34 0.07 -0.18 0.93 -2.23 0.00 0.00 178.31 178.24 1b55 h GLU 45 N 0.44 -0.46 0.00 1.11 4.39 -1.94 -2.29 114.58 115.82 1b55 h GLU 45 Ca 0.40 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1b55 h GLU 45 Cb 0.59 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1b55 h GLU 45 CO -0.39 -0.31 0.00 0.54 -1.16 0.00 0.00 179.01 177.69 1b55 n ARG 46 N -3.36 0.16 -3.01 2.33 1.74 -1.14 -4.87 116.66 108.51 1b55 n ARG 46 Ca -0.06 0.18 -0.03 0.00 -0.77 0.00 0.00 57.85 57.17 1b55 n ARG 46 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1b55 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b55 n GLY 47 N -0.34 -1.26 0.00 -0.13 0.00 0.52 -5.01 105.19 98.97 1b55 n GLY 47 Ca 0.05 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1b55 n GLY 47 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b55 n ARG 48 N -1.38 -0.44 -2.36 1.61 1.85 -0.01 -4.96 116.66 110.96 1b55 n ARG 48 Ca 0.03 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1b55 n ARG 48 Cb 0.49 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.88 1b55 n ARG 48 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1b55 s ARG 49 N -2.00 4.32 0.00 2.89 3.52 -1.26 0.44 118.95 126.86 1b55 s ARG 49 Ca 0.00 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 1b55 s ARG 49 Cb 0.00 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1b55 s ARG 49 CO 0.00 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1b55 n GLY 50 N 3.48 1.59 3.75 8.12 0.00 0.36 -4.70 105.19 117.79 1b55 n GLY 50 Ca 0.12 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1b55 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b55 s SER 51 N -1.00 6.87 0.24 1.61 0.01 -1.25 -4.60 113.70 115.58 1b55 s SER 51 Ca 0.00 2.48 -0.31 0.00 1.31 0.00 0.00 55.95 59.43 1b55 s SER 51 Cb 0.00 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.50 1b55 s SER 51 CO 0.00 -0.52 1.56 -0.75 0.41 0.00 0.00 173.24 173.94 1b55 s LYS 52 N -0.57 4.19 0.00 12.44 2.20 -1.26 0.12 119.74 136.86 1b55 s LYS 52 Ca 0.55 2.44 0.01 0.00 -0.36 0.00 0.00 55.97 58.61 1b55 s LYS 52 Cb -0.37 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1b55 s LYS 52 CO 0.42 -0.58 0.07 1.63 -0.36 0.00 0.00 175.35 176.53 1b55 n LYS 53 N 2.92 6.30 -3.62 4.03 4.76 0.11 -4.85 118.16 127.82 1b55 n LYS 53 Ca 0.10 -0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.50 1b55 n LYS 53 Cb 0.38 -0.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.98 1b55 n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1b55 s GLY 54 N -1.09 -0.27 0.07 0.72 0.00 -0.82 -4.97 107.32 100.96 1b55 s GLY 54 Ca 0.01 1.63 -0.23 0.00 0.00 0.00 0.00 44.72 46.12 1b55 s GLY 54 CO 0.05 0.53 0.56 -0.45 0.00 0.00 0.00 173.10 173.79 1b55 s SER 55 N -2.22 -0.50 -0.17 1.64 0.15 -1.26 -0.54 113.70 110.80 1b55 s SER 55 Ca 0.11 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.84 1b55 s SER 55 Cb 0.00 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 1b55 s SER 55 CO -0.04 -0.78 0.40 -0.63 1.20 0.00 0.00 173.24 173.39 1b55 s ILE 56 N -2.72 -0.02 0.16 6.45 1.01 -0.45 -4.98 121.20 120.64 1b55 s ILE 56 Ca -0.04 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 1b55 s ILE 56 Cb -0.00 -0.60 -0.08 0.00 0.01 0.00 0.00 42.46 41.79 1b55 s ILE 56 CO -0.04 0.04 0.74 -1.81 0.00 0.00 0.00 174.94 173.87 1b55 s ASP 57 N 1.32 7.32 0.26 3.58 1.01 -1.26 -1.11 116.67 127.79 1b55 s ASP 57 Ca -0.09 1.58 -0.04 0.00 0.71 0.00 0.00 52.55 54.71 1b55 s ASP 57 Cb -0.08 -2.47 0.35 0.00 1.01 0.00 0.00 42.92 41.72 1b55 s ASP 57 CO -0.12 0.20 1.89 0.58 0.21 0.00 0.00 175.17 177.94 1b55 h VAL 58 N 3.30 1.14 -0.59 -1.27 2.07 0.71 -2.47 116.25 119.15 1b55 h VAL 58 Ca -0.47 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 66.70 1b55 h VAL 58 Cb 1.21 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1b55 h VAL 58 CO 0.66 0.22 0.39 -0.33 0.02 0.00 0.00 177.57 178.53 1b55 h GLU 59 N 1.22 0.48 -0.13 1.57 3.07 -1.84 0.61 114.58 119.56 1b55 h GLU 59 Ca 0.41 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1b55 h GLU 59 Cb 0.06 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1b55 h GLU 59 CO -0.14 0.32 0.00 1.63 -1.40 0.00 0.00 179.01 179.42 1b55 n LYS 60 N -4.48 1.50 -2.79 2.33 5.02 -0.94 -4.70 118.16 114.10 1b55 n LYS 60 Ca 0.09 -0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 55.21 1b55 n LYS 60 Cb 0.29 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1b55 n LYS 60 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b55 s ILE 61 N -1.83 4.89 -0.14 -0.18 1.01 0.21 -3.25 121.20 121.91 1b55 s ILE 61 Ca 0.28 1.90 0.04 0.00 0.00 0.00 0.00 60.65 62.87 1b55 s ILE 61 Cb 0.15 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 1b55 s ILE 61 CO 0.22 0.14 -0.08 0.35 0.00 0.00 0.00 174.94 175.57 1b55 n THR 62 N 4.06 0.84 -3.26 2.92 -2.24 -0.80 -4.67 114.28 111.11 1b55 n THR 62 Ca 0.05 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1b55 n THR 62 Cb 0.50 -0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1b55 n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b55 s VAL 64 N 2.66 4.64 0.15 0.00 1.01 -1.26 0.13 120.40 127.73 1b55 s VAL 64 Ca 0.13 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1b55 s VAL 64 Cb -0.14 -4.44 0.07 0.00 0.00 0.00 0.00 36.38 31.87 1b55 s VAL 64 CO -0.23 -1.00 0.66 -1.61 0.00 0.00 0.00 175.10 172.92 1b55 s GLU 65 N 3.26 1.29 1.03 2.72 0.41 0.30 -4.96 118.70 122.75 1b55 s GLU 65 Ca 0.21 -0.52 -0.13 0.00 -0.41 0.00 0.00 54.97 54.12 1b55 s GLU 65 Cb -0.17 0.56 0.17 0.00 -1.78 0.00 0.00 34.13 32.91 1b55 s GLU 65 CO 0.14 -0.57 0.81 0.25 -0.49 0.00 0.00 175.26 175.40 1b55 n THR 66 N -0.38 0.00 -4.04 3.63 -2.24 -1.26 0.18 114.28 110.16 1b55 n THR 66 Ca -0.14 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.40 1b55 n THR 66 Cb 0.64 -0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1b55 n THR 66 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1b55 n VAL 67 N -4.38 0.00 -3.79 2.28 0.31 -1.24 -4.31 118.33 107.19 1b55 n VAL 67 Ca 0.07 -0.26 -0.35 0.00 -0.01 0.00 0.00 64.34 63.78 1b55 n VAL 67 Cb 0.54 0.11 -0.11 0.00 -0.91 0.00 0.00 33.84 33.47 1b55 n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1b55 s VAL 68 N -1.90 3.31 -0.14 2.52 1.01 -0.88 -4.85 120.40 119.48 1b55 s VAL 68 Ca 0.03 -2.60 -0.08 0.00 0.00 0.00 0.00 61.98 59.33 1b55 s VAL 68 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1b55 s VAL 68 CO 0.02 -0.77 0.47 -2.65 0.00 0.00 0.00 175.10 172.17 1b55 n PRO 69 N 3.94 0.00 -0.56 2.72 -0.02 -1.26 -4.73 135.00 135.09 1b55 n PRO 69 Ca 0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 1b55 n PRO 69 Cb 0.39 -0.30 0.26 0.00 -0.02 0.00 0.00 33.50 33.83 1b55 n PRO 69 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1b55 s GLU 70 N 1.42 -1.68 0.01 -0.52 1.03 -1.26 -4.99 118.70 112.71 1b55 s GLU 70 Ca 0.25 0.47 -0.25 0.00 0.03 0.00 0.00 54.97 55.47 1b55 s GLU 70 Cb -0.29 -1.50 -0.17 0.00 -0.80 0.00 0.00 34.13 31.38 1b55 s GLU 70 CO 0.12 -4.13 1.28 0.87 -1.33 0.00 0.00 175.26 172.06 1b55 h LYS 71 N -2.90 -0.30 -2.02 -4.83 1.79 -2.04 -3.40 116.57 102.86 1b55 h LYS 71 Ca -0.54 0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 57.40 1b55 h LYS 71 Cb 1.34 0.07 -0.39 0.00 -1.58 0.00 0.00 32.23 31.66 1b55 h LYS 71 CO 0.42 0.02 -1.07 0.09 -1.08 0.00 0.00 179.45 177.83 1b55 n ASN 72 N -5.08 0.67 -4.63 0.86 4.13 -1.26 -5.09 115.26 104.85 1b55 n ASN 72 Ca -0.09 -2.83 -0.51 0.00 1.68 0.00 0.00 54.58 52.83 1b55 n ASN 72 Cb 0.24 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.79 1b55 n ASN 72 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1b55 n PRO 73 N 1.13 1.47 -2.26 3.52 -0.05 -1.26 -4.87 135.00 132.68 1b55 n PRO 73 Ca 0.23 0.53 -0.38 0.00 -0.05 0.00 0.00 63.50 63.83 1b55 n PRO 73 Cb 0.54 -2.22 -0.02 0.00 -0.05 0.00 0.00 33.50 31.75 1b55 n PRO 73 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 175.50 174.20 1b55 s PRO 74 N 1.20 3.98 0.00 0.54 0.04 -1.26 -4.07 135.00 135.43 1b55 s PRO 74 Ca 0.85 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1b55 s PRO 74 Cb -0.88 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1b55 s PRO 74 CO 0.47 -0.39 0.00 -2.30 0.04 0.00 0.00 177.00 174.83 1b55 n PRO 75 N -0.04 0.00 0.00 0.56 -0.02 -1.26 0.38 135.00 134.62 1b55 n PRO 75 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1b55 n PRO 75 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1b55 n PRO 75 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1b55 n GLU 76 N -0.19 0.00 -0.00 -0.52 2.13 -1.26 0.54 120.64 121.33 1b55 n GLU 76 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1b55 n GLU 76 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1b55 n GLU 76 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1b55 n ARG 77 N -3.04 1.51 -0.20 5.31 1.74 1.20 -2.95 116.66 120.22 1b55 n ARG 77 Ca 0.00 -0.06 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 1b55 n ARG 77 Cb 0.00 -1.21 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1b55 n ARG 77 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b55 n GLN 78 N -1.65 0.09 -1.69 5.56 6.02 2.10 -3.22 117.38 124.59 1b55 n GLN 78 Ca -0.00 -0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.37 1b55 n GLN 78 Cb 0.28 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.05 1b55 n GLN 78 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1b55 n ILE 79 N -3.00 2.32 -2.16 5.09 5.41 -1.26 -4.27 119.36 121.49 1b55 n ILE 79 Ca 0.02 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.85 1b55 n ILE 79 Cb 0.08 -1.54 -0.03 0.00 -0.71 0.00 0.00 39.64 37.44 1b55 n ILE 79 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1b55 s SER 87 N -0.46 6.82 0.68 4.38 0.15 -1.26 -5.01 113.70 119.01 1b55 s SER 87 Ca 0.59 2.35 -0.17 0.00 0.70 0.00 0.00 55.95 59.42 1b55 s SER 87 Cb -0.54 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.18 1b55 s SER 87 CO 0.60 -0.65 1.03 -0.62 1.20 0.00 0.00 173.24 174.80 1b55 n GLU 88 N 3.78 0.70 -2.95 5.44 1.02 -1.26 -4.97 120.64 122.41 1b55 n GLU 88 Ca 0.11 0.29 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 1b55 n GLU 88 Cb 0.42 -2.27 0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1b55 n GLU 88 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1b55 n MET 89 N -1.68 1.00 -3.02 3.49 2.81 -1.26 -4.85 117.12 113.61 1b55 n MET 89 Ca 0.14 -2.63 -0.44 0.00 -1.81 0.00 0.00 57.70 52.95 1b55 n MET 89 Cb 0.49 -1.34 -0.04 0.00 -0.71 0.00 0.00 33.22 31.61 1b55 n MET 89 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1b55 s GLU 90 N -1.06 3.10 0.00 0.03 2.56 -1.26 -4.86 118.70 117.22 1b55 s GLU 90 Ca 0.31 -1.19 0.00 0.00 0.00 0.00 0.00 54.97 54.09 1b55 s GLU 90 Cb 0.32 -4.29 0.00 0.00 2.00 0.00 0.00 34.13 32.17 1b55 s GLU 90 CO -0.06 -1.65 0.00 0.94 -0.56 0.00 0.00 175.26 173.93 1b55 n GLN 91 N 6.79 0.00 -0.07 4.30 7.27 -1.26 0.42 117.38 134.84 1b55 n GLN 91 Ca -0.06 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.94 1b55 n GLN 91 Cb 0.44 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.98 1b55 n GLN 91 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1b55 n ILE 92 N -2.64 0.97 -0.01 1.69 5.41 -1.26 -4.41 119.36 119.11 1b55 n ILE 92 Ca 0.00 -0.57 -0.12 0.00 1.00 0.00 0.00 62.75 63.06 1b55 n ILE 92 Cb 0.00 -0.69 0.02 0.00 -0.71 0.00 0.00 39.64 38.26 1b55 n ILE 92 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1b55 h SER 93 N 0.00 0.72 0.00 4.38 4.64 0.82 -2.37 113.55 121.74 1b55 h SER 93 Ca -0.38 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 1b55 h SER 93 Cb 1.84 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1b55 h SER 93 CO 0.01 1.15 0.00 0.00 -0.87 0.00 0.00 176.83 177.12 1b55 n ILE 94 N -3.95 0.00 -1.90 0.95 3.06 0.64 0.21 119.36 118.37 1b55 n ILE 94 Ca -0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1b55 n ILE 94 Cb 0.64 -0.49 0.00 0.00 0.54 0.00 0.00 39.64 40.33 1b55 n ILE 94 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1b55 n ILE 95 N -0.74 0.00 0.00 9.51 -5.35 -1.07 -4.76 119.36 116.95 1b55 n ILE 95 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1b55 n ILE 95 Cb 0.03 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1b55 n ILE 95 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1b55 n GLU 96 N 0.00 0.47 -3.77 6.28 1.02 0.22 -5.03 120.64 119.82 1b55 n GLU 96 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1b55 n GLU 96 Cb 0.67 -0.04 -0.17 0.00 -0.02 0.00 0.00 31.44 31.88 1b55 n GLU 96 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1b55 s ARG 97 N -0.00 0.63 -0.30 3.49 3.52 0.57 -4.78 118.95 122.07 1b55 s ARG 97 Ca 0.00 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1b55 s ARG 97 Cb 0.00 -1.07 0.10 0.00 -1.56 0.00 0.00 34.95 32.43 1b55 s ARG 97 CO 0.00 -0.33 0.13 -0.06 -0.81 0.00 0.00 175.30 174.23 1b55 s PHE 98 N 1.96 0.68 -1.59 5.12 0.40 -1.15 -3.64 117.98 119.76 1b55 s PHE 98 Ca 0.05 -1.15 0.18 0.00 -0.60 0.00 0.00 56.93 55.40 1b55 s PHE 98 Cb -0.13 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 1b55 s PHE 98 CO -0.06 -0.84 0.91 -0.35 0.70 0.00 0.00 175.22 175.58 1b55 n PRO 99 N 5.04 1.55 -3.10 0.24 -0.04 0.57 -4.39 135.00 134.88 1b55 n PRO 99 Ca -0.03 -0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1b55 n PRO 99 Cb 0.41 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1b55 n PRO 99 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1b55 n TYR 100 N -0.14 2.86 -2.12 0.54 4.01 -0.10 -4.85 117.16 117.35 1b55 n TYR 100 Ca 0.07 -2.92 -0.42 0.00 -0.16 0.00 0.00 57.90 54.47 1b55 n TYR 100 Cb 0.37 -1.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.09 1b55 n TYR 100 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1b55 s PRO 101 N -2.51 4.16 0.11 -0.72 0.04 -1.26 -1.98 135.00 132.83 1b55 s PRO 101 Ca 0.31 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1b55 s PRO 101 Cb 0.03 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1b55 s PRO 101 CO 0.07 -0.85 0.01 1.97 0.04 0.00 0.00 177.00 178.24 1b55 n PHE 102 N 7.11 0.00 -3.70 0.56 -1.74 -0.20 -3.60 117.46 115.90 1b55 n PHE 102 Ca 0.17 -0.51 -0.11 0.00 -0.56 0.00 0.00 57.45 56.44 1b55 n PHE 102 Cb 0.43 -0.07 -0.10 0.00 1.52 0.00 0.00 39.48 41.26 1b55 n PHE 102 CO 0.00 0.00 0.00 1.14 -0.56 0.00 0.00 176.76 177.34 1b55 s GLN 103 N -2.39 0.44 -0.20 3.97 -2.07 0.46 -3.46 119.66 116.41 1b55 s GLN 103 Ca 0.01 0.74 -0.01 0.00 -1.82 0.00 0.00 55.36 54.28 1b55 s GLN 103 Cb -0.00 0.06 0.01 0.00 -1.09 0.00 0.00 33.01 31.99 1b55 s GLN 103 CO 0.01 -0.13 -0.12 0.08 -1.32 0.00 0.00 175.29 173.81 1b55 s VAL 104 N 1.05 2.71 0.01 3.63 1.01 0.21 0.11 120.40 129.13 1b55 s VAL 104 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1b55 s VAL 104 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1b55 s VAL 104 CO -0.09 0.48 -0.02 -0.69 0.00 0.00 0.00 175.10 174.78 1b55 s VAL 105 N 1.38 3.97 0.34 2.92 1.01 0.34 0.25 120.40 130.62 1b55 s VAL 105 Ca 0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1b55 s VAL 105 Cb -0.14 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1b55 s VAL 105 CO -0.08 0.36 0.55 0.00 0.00 0.00 0.00 175.10 175.93 1b55 n TYR 106 N 1.39 -1.69 -0.32 5.22 4.11 1.04 -1.91 117.16 124.99 1b55 n TYR 106 Ca -0.15 -2.02 -0.11 0.00 -0.00 0.00 0.00 57.90 55.63 1b55 n TYR 106 Cb 0.53 0.63 -0.09 0.00 -0.00 0.00 0.00 39.34 40.41 1b55 n TYR 106 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 1b55 h ASP 107 N 1.83 -1.93 -0.78 9.48 -0.00 -1.96 0.23 116.42 123.28 1b55 h ASP 107 Ca -0.27 0.28 0.14 0.00 -0.00 0.00 0.00 57.03 57.18 1b55 h ASP 107 Cb 1.12 0.84 -0.05 0.00 -0.00 0.00 0.00 39.33 41.23 1b55 h ASP 107 CO 0.36 -0.26 0.51 -0.33 -0.00 0.00 0.00 179.24 179.52 1b55 h GLU 108 N -0.11 0.48 0.00 4.15 5.08 -1.97 -3.47 114.58 118.75 1b55 h GLU 108 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1b55 h GLU 108 Cb 0.43 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1b55 h GLU 108 CO -0.78 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 177.96 1b55 n GLY 109 N -1.50 0.20 3.12 -3.84 0.00 0.79 -4.63 105.19 99.33 1b55 n GLY 109 Ca 0.15 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 1b55 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b55 s PRO 110 N -0.10 2.51 -0.28 1.61 0.04 -1.26 0.34 135.00 137.85 1b55 s PRO 110 Ca 0.00 -0.68 -0.15 0.00 0.04 0.00 0.00 61.00 60.21 1b55 s PRO 110 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1b55 s PRO 110 CO 0.00 0.05 0.39 -1.17 0.04 0.00 0.00 177.00 176.31 1b55 s LEU 111 N 0.66 4.11 -1.14 -3.56 2.96 0.70 -4.90 118.68 117.50 1b55 s LEU 111 Ca -0.13 0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 1b55 s LEU 111 Cb -0.16 -2.44 0.16 0.00 0.50 0.00 0.00 46.19 44.25 1b55 s LEU 111 CO 0.03 -0.23 1.37 -0.31 -1.32 0.00 0.00 176.35 175.89 1b55 s TYR 112 N 2.10 3.39 -0.09 5.38 2.02 -1.26 0.64 117.35 129.52 1b55 s TYR 112 Ca 0.15 -1.94 -0.22 0.00 -0.37 0.00 0.00 57.07 54.69 1b55 s TYR 112 Cb -0.16 -4.32 -0.04 0.00 -0.40 0.00 0.00 41.96 37.04 1b55 s TYR 112 CO 0.10 -1.43 0.65 0.08 -1.57 0.00 0.00 175.55 173.38 1b55 s VAL 113 N 1.93 5.07 0.01 0.71 1.01 -1.22 -2.05 120.40 125.85 1b55 s VAL 113 Ca 0.41 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.72 1b55 s VAL 113 Cb -0.03 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1b55 s VAL 113 CO -0.02 0.25 0.03 -0.36 0.00 0.00 0.00 175.10 175.00 1b55 s PHE 114 N 0.90 3.14 -0.01 5.22 0.40 0.47 -1.03 117.98 127.07 1b55 s PHE 114 Ca 0.34 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1b55 s PHE 114 Cb -0.17 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1b55 s PHE 114 CO 0.16 0.49 -0.03 0.45 0.70 0.00 0.00 175.22 176.99 1b55 s SER 115 N -1.70 4.91 0.08 1.36 0.15 -0.84 -2.06 113.70 115.60 1b55 s SER 115 Ca 0.21 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 1b55 s SER 115 Cb -0.12 -1.24 -0.27 0.00 -1.71 0.00 0.00 66.02 62.68 1b55 s SER 115 CO 0.12 0.30 1.17 1.55 1.20 0.00 0.00 173.24 177.58 1b55 h PRO 116 N 4.58 0.23 -3.85 5.44 0.13 -1.86 1.74 132.00 138.41 1b55 h PRO 116 Ca -0.49 -0.39 -0.19 0.00 -0.87 0.00 0.00 66.00 64.06 1b55 h PRO 116 Cb 1.17 0.14 -0.24 0.00 0.13 0.00 0.00 31.00 32.21 1b55 h PRO 116 CO 0.55 1.18 -0.70 0.95 -0.23 0.00 0.00 178.00 179.76 1b55 s THR 117 N -2.68 0.06 0.00 1.56 -4.23 -1.26 -4.43 115.64 104.66 1b55 s THR 117 Ca -0.03 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1b55 s THR 117 Cb 0.08 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.76 1b55 s THR 117 CO 0.87 -0.28 0.84 -0.62 -0.54 0.00 0.00 174.62 174.90 1b55 n GLU 118 N 2.24 0.00 -0.24 3.99 1.02 -1.26 -0.45 120.64 125.94 1b55 n GLU 118 Ca -0.19 0.57 0.24 0.00 -0.02 0.00 0.00 57.16 57.76 1b55 n GLU 118 Cb 0.57 -1.34 0.44 0.00 -0.02 0.00 0.00 31.44 31.09 1b55 n GLU 118 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1b55 n GLU 119 N -1.91 -0.04 0.13 3.49 2.13 -1.26 0.99 120.64 124.16 1b55 n GLU 119 Ca 0.00 1.01 -0.13 0.00 0.66 0.00 0.00 57.16 58.70 1b55 n GLU 119 Cb 0.00 -1.82 -0.07 0.00 0.27 0.00 0.00 31.44 29.82 1b55 n GLU 119 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1b55 h LEU 120 N 0.00 -0.36 -0.02 4.31 5.85 -1.17 0.40 115.31 124.31 1b55 h LEU 120 Ca 0.63 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.38 1b55 h LEU 120 Cb 1.68 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1b55 h LEU 120 CO -0.55 -0.22 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.21 1b55 h ARG 121 N -0.32 -0.02 -0.93 1.25 2.43 0.29 -1.93 114.38 115.15 1b55 h ARG 121 Ca -0.01 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1b55 h ARG 121 Cb 0.29 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.70 1b55 h ARG 121 CO -0.02 -0.01 -0.40 1.17 -1.51 0.00 0.00 179.97 179.21 1b55 n LYS 122 N -2.86 -0.25 -0.32 0.20 4.81 -0.67 0.17 118.16 119.23 1b55 n LYS 122 Ca -0.00 1.42 0.09 0.00 -0.87 0.00 0.00 58.31 58.95 1b55 n LYS 122 Cb 0.02 -2.10 0.26 0.00 0.02 0.00 0.00 35.03 33.22 1b55 n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b55 h ARG 123 N 0.00 0.71 0.00 1.64 3.08 0.53 -2.06 114.38 118.28 1b55 h ARG 123 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1b55 h ARG 123 Cb 0.52 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1b55 h ARG 123 CO -0.91 0.47 0.00 0.91 -1.07 0.00 0.00 179.97 179.37 1b55 n TRP 124 N -4.79 0.00 0.00 3.04 7.02 0.44 -2.29 117.44 120.86 1b55 n TRP 124 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 1b55 n TRP 124 Cb 0.46 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1b55 n TRP 124 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1b55 n ILE 125 N -1.67 0.00 0.00 -0.99 5.41 -0.54 0.14 119.36 121.71 1b55 n ILE 125 Ca 0.00 0.42 0.00 0.00 1.00 0.00 0.00 62.75 64.17 1b55 n ILE 125 Cb 0.00 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 1b55 n ILE 125 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1b55 n HIS 126 N -1.08 0.00 -0.42 1.39 -0.00 -0.78 0.32 115.22 114.66 1b55 n HIS 126 Ca 0.00 0.00 0.34 0.00 0.46 0.00 0.00 57.72 58.52 1b55 n HIS 126 Cb 0.00 -0.15 0.64 0.00 -0.12 0.00 0.00 29.99 30.36 1b55 n HIS 126 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1b55 h GLN 127 N 0.00 0.15 0.17 1.57 1.08 0.28 0.58 115.11 118.93 1b55 h GLN 127 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1b55 h GLN 127 Cb 0.00 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1b55 h GLN 127 CO 0.00 0.10 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.79 1b55 h LEU 128 N 0.15 -0.29 -0.32 1.46 3.38 1.39 -2.50 115.31 118.58 1b55 h LEU 128 Ca 0.73 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.75 1b55 h LEU 128 Cb 2.34 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 43.14 1b55 h LEU 128 CO -0.29 -0.17 -0.19 0.29 0.09 0.00 0.00 178.44 178.18 1b55 n LYS 129 N -2.92 -0.14 -0.20 1.13 4.76 0.26 0.29 118.16 121.35 1b55 n LYS 129 Ca -0.03 1.06 0.18 0.00 -2.87 0.00 0.00 58.31 56.65 1b55 n LYS 129 Cb 0.11 -1.57 0.31 0.00 -1.84 0.00 0.00 35.03 32.04 1b55 n LYS 129 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1b55 n ASN 130 N -3.69 0.12 -0.05 4.39 4.13 -0.67 -0.65 115.26 118.84 1b55 n ASN 130 Ca 0.01 0.71 -0.13 0.00 1.68 0.00 0.00 54.58 56.85 1b55 n ASN 130 Cb 0.08 -0.35 -0.14 0.00 -1.54 0.00 0.00 39.78 37.83 1b55 n ASN 130 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1b55 n VAL 131 N -3.79 1.57 0.04 2.41 0.24 0.85 -4.48 118.33 115.17 1b55 n VAL 131 Ca 0.19 -0.75 -0.22 0.00 -2.04 0.00 0.00 64.34 61.52 1b55 n VAL 131 Cb 0.70 -1.09 -0.14 0.00 -1.47 0.00 0.00 33.84 31.84 1b55 n VAL 131 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 1b55 h ILE 132 N 0.02 1.10 0.00 1.34 3.07 -0.13 -3.43 117.51 119.48 1b55 h ILE 132 Ca -0.43 -2.46 0.00 0.00 1.55 0.00 0.00 64.86 63.52 1b55 h ILE 132 Cb 2.06 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 41.43 1b55 h ILE 132 CO 0.04 0.74 0.00 -1.14 -1.05 0.00 0.00 178.15 176.75 1b55 n ARG 133 N -3.88 0.00 -0.51 0.16 0.63 0.17 0.16 116.66 113.40 1b55 n ARG 133 Ca -0.23 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.74 1b55 n ARG 133 Cb 0.94 0.00 0.23 0.00 0.45 0.00 0.00 32.46 34.08 1b55 n ARG 133 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1b55 n TYR 134 N -1.45 1.19 -1.26 -0.14 4.01 -1.26 -4.98 117.16 113.27 1b55 n TYR 134 Ca 0.00 -0.41 -0.29 0.00 -0.16 0.00 0.00 57.90 57.04 1b55 n TYR 134 Cb 0.00 -0.33 0.16 0.00 -0.31 0.00 0.00 39.34 38.86 1b55 n TYR 134 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1b55 s ASN 135 N -0.47 2.95 0.00 7.72 0.01 0.43 -4.93 114.94 120.64 1b55 s ASN 135 Ca 0.32 1.18 0.28 0.00 -0.71 0.00 0.00 52.86 53.92 1b55 s ASN 135 Cb 0.24 -1.83 1.01 0.00 0.41 0.00 0.00 41.25 41.08 1b55 s ASN 135 CO 0.10 -2.92 1.74 -1.20 -1.51 0.00 0.00 177.10 173.31 1b55 n SER 136 N -4.04 0.35 -2.75 -1.22 7.64 -1.26 -4.42 113.62 107.91 1b55 n SER 136 Ca 0.06 -0.16 -0.02 0.00 1.01 0.00 0.00 58.87 59.76 1b55 n SER 136 Cb 0.57 -0.10 0.08 0.00 -1.01 0.00 0.00 64.21 63.75 1b55 n SER 136 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1b55 n ASP 137 N -1.27 0.19 -4.57 6.43 8.00 -1.26 -5.02 116.55 119.04 1b55 n ASP 137 Ca 0.09 -2.16 -0.21 0.00 0.71 0.00 0.00 54.79 53.22 1b55 n ASP 137 Cb 0.32 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1b55 n ASP 137 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1b55 s LEU 138 N -3.86 2.86 1.02 0.64 1.43 -1.26 -4.70 118.68 114.81 1b55 s LEU 138 Ca 0.20 -0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 1b55 s LEU 138 Cb 0.38 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1b55 s LEU 138 CO -0.07 -3.61 -0.23 1.33 0.23 0.00 0.00 176.35 174.00 1b55 n VAL 139 N 8.35 0.00 -0.84 -1.59 0.24 -1.17 -4.97 118.33 118.35 1b55 n VAL 139 Ca 0.43 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1b55 n VAL 139 Cb 0.46 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1b55 n VAL 139 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b55 n GLN 140 N -0.50 0.66 -4.32 7.34 6.02 -1.26 -4.87 117.38 120.44 1b55 n GLN 140 Ca 0.02 -0.77 -0.19 0.00 -0.01 0.00 0.00 57.00 56.05 1b55 n GLN 140 Cb 0.60 -0.62 -0.15 0.00 1.02 0.00 0.00 30.24 31.09 1b55 n GLN 140 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1b55 s LYS 141 N -0.26 0.73 0.23 -1.09 1.02 -1.25 -2.11 119.74 117.02 1b55 s LYS 141 Ca 0.01 -0.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.61 1b55 s LYS 141 Cb 0.00 -0.71 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1b55 s LYS 141 CO 0.00 0.14 0.40 1.52 -0.92 0.00 0.00 175.35 176.49 1b55 s TYR 142 N -0.02 0.52 -0.82 3.18 -0.85 0.31 -3.94 117.35 115.72 1b55 s TYR 142 Ca 0.01 -0.86 0.01 0.00 -0.52 0.00 0.00 57.07 55.71 1b55 s TYR 142 Cb -0.05 0.03 0.25 0.00 0.38 0.00 0.00 41.96 42.56 1b55 s TYR 142 CO -0.00 -0.91 0.90 0.72 -1.52 0.00 0.00 175.55 174.74 1b55 n HIS 143 N -0.35 3.50 0.00 -3.49 8.25 -1.26 -2.63 115.22 119.24 1b55 n HIS 143 Ca -0.01 -3.82 0.11 0.00 -0.26 0.00 0.00 57.72 53.73 1b55 n HIS 143 Cb 0.63 -0.90 0.16 0.00 1.12 0.00 0.00 29.99 31.00 1b55 n HIS 143 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1b55 n PRO 144 N 1.50 0.01 -1.37 -0.41 -0.04 -1.26 -4.41 135.00 129.03 1b55 n PRO 144 Ca 0.26 0.62 -0.29 0.00 -0.04 0.00 0.00 63.50 64.05 1b55 n PRO 144 Cb 0.37 -1.61 0.17 0.00 -0.04 0.00 0.00 33.50 32.40 1b55 n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b55 s PHE 146 N -3.18 2.53 -0.30 0.00 0.08 -1.26 -4.80 117.98 111.04 1b55 s PHE 146 Ca 0.67 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.52 1b55 s PHE 146 Cb -0.14 -2.65 0.07 0.00 -0.57 0.00 0.00 43.02 39.73 1b55 s PHE 146 CO 0.55 -0.91 -0.01 -0.46 -0.10 0.00 0.00 175.22 174.29 1b55 s TRP 147 N -2.71 3.41 -0.12 0.36 -0.00 -1.26 -2.37 118.94 116.25 1b55 s TRP 147 Ca 0.58 -2.36 -0.11 0.00 -0.00 0.00 0.00 56.10 54.21 1b55 s TRP 147 Cb -0.09 -2.32 0.03 0.00 -0.00 0.00 0.00 33.47 31.09 1b55 s TRP 147 CO 0.38 -0.88 0.33 0.42 -0.00 0.00 0.00 176.95 177.19 1b55 s ILE 148 N 1.10 -0.00 0.00 5.86 1.09 -1.19 -4.83 121.20 123.23 1b55 s ILE 148 Ca -0.02 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 1b55 s ILE 148 Cb -0.20 -0.46 0.00 0.00 -1.06 0.00 0.00 42.46 40.74 1b55 s ILE 148 CO -0.04 0.00 0.00 -0.67 -0.10 0.00 0.00 174.94 174.13 1b55 n ASP 149 N 3.00 -1.14 0.00 3.58 2.03 -1.26 -2.50 116.55 120.26 1b55 n ASP 149 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1b55 n ASP 149 Cb 0.57 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1b55 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b55 n GLY 150 N -1.71 1.23 3.63 0.27 0.00 -1.26 -5.11 105.19 102.23 1b55 n GLY 150 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1b55 n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b55 s GLN 151 N 0.00 0.76 -0.88 1.61 -2.07 -1.04 -4.82 119.66 113.21 1b55 s GLN 151 Ca 0.00 0.96 -0.23 0.00 -1.82 0.00 0.00 55.36 54.27 1b55 s GLN 151 Cb 0.00 0.35 -0.22 0.00 -1.09 0.00 0.00 33.01 32.05 1b55 s GLN 151 CO 0.00 -0.10 2.45 0.66 -1.32 0.00 0.00 175.29 176.98 1b55 n TYR 152 N 2.83 0.62 -0.06 9.60 4.01 -1.16 -3.14 117.16 129.85 1b55 n TYR 152 Ca -0.15 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1b55 n TYR 152 Cb 0.56 -1.89 0.00 0.00 -0.31 0.00 0.00 39.34 37.69 1b55 n TYR 152 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 1b55 n LEU 153 N 11.03 2.06 -0.06 7.72 -0.00 -1.00 -2.42 117.00 134.32 1b55 n LEU 153 Ca 0.59 -0.94 -0.04 0.00 -0.00 0.00 0.00 56.01 55.62 1b55 n LEU 153 Cb 0.20 -0.42 -0.01 0.00 -0.00 0.00 0.00 43.42 43.19 1b55 n LEU 153 CO 0.90 0.38 -0.32 0.00 -0.00 0.00 0.00 177.39 178.35 1b55 h SER 156 N 7.41 0.00 -1.59 0.00 0.87 -1.85 -3.40 113.55 114.99 1b55 h SER 156 Ca -0.31 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 59.74 1b55 h SER 156 Cb 1.18 0.00 0.24 0.00 -0.44 0.00 0.00 62.40 63.37 1b55 h SER 156 CO 0.50 0.00 -2.09 0.00 -0.53 0.00 0.00 176.83 174.71 1b55 n GLN 157 N -1.84 0.00 -0.00 2.24 10.64 -1.26 -4.44 117.38 122.72 1b55 n GLN 157 Ca -0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 1b55 n GLN 157 Cb 0.74 -0.96 -0.01 0.00 -0.86 0.00 0.00 30.24 29.15 1b55 n GLN 157 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1b55 n THR 158 N -2.74 0.00 -2.46 -0.39 -1.04 -1.26 -2.99 114.28 103.40 1b55 n THR 158 Ca -0.02 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 1b55 n THR 158 Cb 0.60 0.65 -0.02 0.00 -1.82 0.00 0.00 70.33 69.74 1b55 n THR 158 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b55 s ALA 159 N -1.77 3.64 0.02 2.41 0.00 -1.26 -4.81 121.76 119.98 1b55 s ALA 159 Ca -0.00 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1b55 s ALA 159 Cb 0.01 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1b55 s ALA 159 CO 0.06 -1.09 0.81 1.17 0.00 0.00 0.00 175.76 176.71 1b55 n LYS 160 N 6.34 -0.04 0.00 0.00 4.81 -1.26 0.45 118.16 128.46 1b55 n LYS 160 Ca 0.13 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1b55 n LYS 160 Cb 0.45 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1b55 n LYS 160 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1b55 n ASN 161 N -3.03 0.18 -4.38 3.14 6.94 -1.26 -4.79 115.26 112.05 1b55 n ASN 161 Ca 0.00 -0.87 -0.43 0.00 -0.02 0.00 0.00 54.58 53.27 1b55 n ASN 161 Cb 0.03 -0.09 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1b55 n ASN 161 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b55 n ALA 162 N -0.17 -2.29 -1.77 -2.53 0.00 1.59 -4.91 120.51 110.44 1b55 n ALA 162 Ca 0.00 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1b55 n ALA 162 Cb 0.05 -1.63 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 1b55 n ALA 162 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1b55 s MET 163 N -1.26 4.34 -0.25 0.00 1.75 -1.26 -4.98 119.30 117.64 1b55 s MET 163 Ca 0.62 1.66 -0.28 0.00 -1.25 0.00 0.00 55.69 56.44 1b55 s MET 163 Cb -0.66 -2.81 -0.05 0.00 2.84 0.00 0.00 34.83 34.15 1b55 s MET 163 CO 0.60 -0.02 2.22 0.20 -0.65 0.00 0.00 175.02 177.37 1b55 s GLY 164 N -1.25 0.43 -0.65 2.11 0.00 -1.25 -4.96 107.32 101.75 1b55 s GLY 164 Ca 0.52 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.78 1b55 s GLY 164 CO 0.34 3.82 1.85 0.00 0.00 0.00 0.00 173.10 179.11 1b55 n GLN 166 N 6.02 0.00 -3.99 0.00 -0.06 -1.08 -4.81 117.38 113.47 1b55 n GLN 166 Ca 0.43 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 55.33 1b55 n GLN 166 Cb 0.28 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.35 1b55 n GLN 166 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1b55 s ILE 167 N -2.00 0.17 -0.17 1.69 1.09 -1.26 0.11 121.20 120.83 1b55 s ILE 167 Ca 0.00 -0.88 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 1b55 s ILE 167 Cb 0.00 -0.30 0.02 0.00 -1.06 0.00 0.00 42.46 41.12 1b55 s ILE 167 CO 0.00 -0.45 -0.20 -0.22 -0.10 0.00 0.00 174.94 173.97 1b55 s LEU 168 N -1.39 2.16 0.00 2.97 2.96 -0.90 -4.84 118.68 119.64 1b55 s LEU 168 Ca -0.14 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 1b55 s LEU 168 Cb -0.09 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1b55 s LEU 168 CO -0.01 0.02 0.00 1.21 -1.32 0.00 0.00 176.35 176.25 1b55 n GLU 169 N 4.48 0.00 0.00 1.98 2.13 -1.26 -4.76 120.64 123.20 1b55 n GLU 169 Ca -0.21 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1b55 n GLU 169 Cb 0.50 -0.70 0.00 0.00 0.27 0.00 0.00 31.44 31.52 1b55 n GLU 169 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81