#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6x n ASP 3 N 0.00 0.97 -1.10 9.51 5.68 -1.26 -0.24 116.55 130.11 3d6x n ASP 3 Ca 0.00 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3d6x n ASP 3 Cb 0.00 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 3d6x n ASP 3 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3d6x n VAL 4 N -2.83 0.00 0.00 2.12 0.24 -1.23 -0.41 118.33 116.21 3d6x n VAL 4 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3d6x n VAL 4 Cb 0.51 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 3d6x n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d6x n GLN 6 N 0.96 0.00 -0.25 7.34 6.02 -1.26 -1.29 117.38 128.89 3d6x n GLN 6 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3d6x n GLN 6 Cb 0.00 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.41 3d6x n GLN 6 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3d6x h ILE 7 N 0.00 0.80 0.00 5.09 2.04 -1.06 -0.34 117.51 124.04 3d6x h ILE 7 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3d6x h ILE 7 Cb 0.00 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3d6x h ILE 7 CO 0.00 0.11 0.00 1.56 0.00 0.00 0.00 178.15 179.82 3d6x h GLN 8 N 0.58 0.00 0.00 2.37 4.20 -1.42 0.23 115.11 121.07 3d6x h GLN 8 Ca 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 3d6x h GLN 8 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3d6x h GLN 8 CO -0.30 0.00 -0.06 0.93 -0.67 0.00 0.00 178.83 178.72 3d6x h GLU 9 N 0.00 0.00 0.00 1.46 5.08 -1.33 -3.37 114.58 116.43 3d6x h GLU 9 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3d6x h GLU 9 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3d6x h GLU 9 CO 0.00 0.06 -1.08 -0.89 -1.00 0.00 0.00 179.01 176.10 3d6x n ILE 10 N -3.18 1.49 -2.64 3.13 5.41 -0.20 -4.96 119.36 118.41 3d6x n ILE 10 Ca 0.01 0.11 -0.38 0.00 1.00 0.00 0.00 62.75 63.48 3d6x n ILE 10 Cb 0.35 -2.28 -0.05 0.00 -0.71 0.00 0.00 39.64 36.94 3d6x n ILE 10 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3d6x s LEU 11 N -7.84 4.42 0.17 1.39 1.43 0.65 -4.95 118.68 113.95 3d6x s LEU 11 Ca -0.29 2.03 0.27 0.00 -1.03 0.00 0.00 54.13 55.11 3d6x s LEU 11 Cb 0.05 -3.85 0.90 0.00 0.03 0.00 0.00 46.19 43.31 3d6x s LEU 11 CO 0.42 -0.13 1.81 -0.81 0.23 0.00 0.00 176.35 177.86 3d6x n PRO 12 N 0.80 0.21 -1.71 1.29 -0.04 -1.26 -4.49 135.00 129.79 3d6x n PRO 12 Ca 0.01 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 3d6x n PRO 12 Cb 0.48 -1.74 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 3d6x n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3d6x n HIS 13 N -2.10 2.42 -4.34 0.54 8.25 -1.26 -5.03 115.22 113.70 3d6x n HIS 13 Ca 0.06 0.51 -0.17 0.00 -0.26 0.00 0.00 57.72 57.85 3d6x n HIS 13 Cb 0.41 -2.45 -0.10 0.00 1.12 0.00 0.00 29.99 28.97 3d6x n HIS 13 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3d6x s ARG 14 N -1.69 1.38 0.40 -0.41 1.81 -1.26 -4.81 118.95 114.36 3d6x s ARG 14 Ca 0.57 -1.71 -0.26 0.00 -1.72 0.00 0.00 55.73 52.60 3d6x s ARG 14 Cb -0.56 -0.60 -0.11 0.00 -0.45 0.00 0.00 34.95 33.24 3d6x s ARG 14 CO 0.61 -0.13 1.29 0.98 -0.68 0.00 0.00 175.30 177.37 3d6x n TYR 15 N -0.45 2.23 -0.91 -0.53 9.36 -1.26 -0.19 117.16 125.41 3d6x n TYR 15 Ca -0.04 0.51 -0.21 0.00 3.32 0.00 0.00 57.90 61.48 3d6x n TYR 15 Cb 0.64 -2.40 0.14 0.00 -0.63 0.00 0.00 39.34 37.10 3d6x n TYR 15 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d6x n PRO 16 N 0.21 2.09 -1.16 2.98 -0.04 -1.26 -4.89 135.00 132.93 3d6x n PRO 16 Ca 0.06 -2.55 0.01 0.00 -0.04 0.00 0.00 63.50 60.98 3d6x n PRO 16 Cb 0.39 -2.00 0.13 0.00 -0.04 0.00 0.00 33.50 31.98 3d6x n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d6x n PHE 17 N -0.83 0.50 -3.39 0.54 -0.00 0.74 -4.96 117.46 110.06 3d6x n PHE 17 Ca 0.50 -1.43 -0.44 0.00 -0.00 0.00 0.00 57.45 56.08 3d6x n PHE 17 Cb 1.37 -0.24 -0.07 0.00 -0.00 0.00 0.00 39.48 40.54 3d6x n PHE 17 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3d6x s LEU 18 N -2.60 5.79 -0.30 -2.13 2.96 -1.11 -4.62 118.68 116.67 3d6x s LEU 18 Ca 0.38 -1.55 0.10 0.00 -0.22 0.00 0.00 54.13 52.85 3d6x s LEU 18 Cb 0.38 -2.17 0.63 0.00 0.50 0.00 0.00 46.19 45.53 3d6x s LEU 18 CO -0.07 -0.72 1.65 0.18 -1.32 0.00 0.00 176.35 176.07 3d6x n LEU 19 N 5.18 5.19 -4.01 -0.68 4.77 -1.26 -4.86 117.00 121.33 3d6x n LEU 19 Ca -0.13 -3.38 -0.27 0.00 -0.03 0.00 0.00 56.01 52.21 3d6x n LEU 19 Cb 0.42 -0.69 -0.17 0.00 -2.33 0.00 0.00 43.42 40.66 3d6x n LEU 19 CO 0.49 0.93 -0.47 -0.69 -1.33 0.00 0.00 177.39 176.32 3d6x s VAL 20 N -3.07 1.26 -0.08 4.08 1.01 -1.26 -4.57 120.40 117.76 3d6x s VAL 20 Ca 0.50 -0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.12 3d6x s VAL 20 Cb 0.42 -1.18 -0.21 0.00 0.00 0.00 0.00 36.38 35.41 3d6x s VAL 20 CO 0.09 0.39 0.60 0.47 0.00 0.00 0.00 175.10 176.65 3d6x n ASP 21 N 4.25 0.72 -3.62 3.32 8.00 0.05 -4.90 116.55 124.36 3d6x n ASP 21 Ca -0.19 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 3d6x n ASP 21 Cb 0.51 0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.73 3d6x n ASP 21 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d6x s LYS 22 N -2.67 0.74 -0.23 -1.24 2.20 -1.11 -3.50 119.74 113.93 3d6x s LYS 22 Ca -0.05 0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 3d6x s LYS 22 Cb 0.08 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 3d6x s LYS 22 CO 0.82 -0.11 0.07 0.42 -0.36 0.00 0.00 175.35 176.20 3d6x s ILE 23 N 0.18 4.44 -0.12 5.43 -1.09 0.67 -0.89 121.20 129.81 3d6x s ILE 23 Ca 0.00 -0.14 0.19 0.00 -2.23 0.00 0.00 60.65 58.48 3d6x s ILE 23 Cb -0.05 -3.05 -0.24 0.00 -1.58 0.00 0.00 42.46 37.54 3d6x s ILE 23 CO -0.01 0.37 0.45 0.35 -1.23 0.00 0.00 174.94 174.88 3d6x n THR 24 N 4.52 0.90 -3.71 2.92 -2.24 0.93 -0.44 114.28 117.15 3d6x n THR 24 Ca -0.16 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.79 3d6x n THR 24 Cb 0.52 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 3d6x n THR 24 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3d6x s GLU 25 N -2.95 0.58 -0.24 -0.78 2.12 -0.87 -4.80 118.70 111.75 3d6x s GLU 25 Ca -0.07 0.65 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 3d6x s GLU 25 Cb 0.09 0.28 0.13 0.00 0.26 0.00 0.00 34.13 34.89 3d6x s GLU 25 CO 0.85 -0.07 0.35 -1.17 -0.54 0.00 0.00 175.26 174.67 3d6x s LEU 26 N 0.20 -0.54 -0.30 2.70 2.96 -1.26 -0.10 118.68 122.34 3d6x s LEU 26 Ca -0.00 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3d6x s LEU 26 Cb -0.03 0.98 0.02 0.00 0.50 0.00 0.00 46.19 47.66 3d6x s LEU 26 CO 0.01 -0.30 0.08 -0.54 -1.32 0.00 0.00 176.35 174.27 3d6x s LYS 27 N 2.51 2.99 0.25 1.98 1.02 -0.35 -5.02 119.74 123.11 3d6x s LYS 27 Ca 0.12 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 3d6x s LYS 27 Cb -0.15 -3.37 -0.15 0.00 -0.52 0.00 0.00 37.83 33.64 3d6x s LYS 27 CO -0.15 -0.48 1.09 1.33 -0.92 0.00 0.00 175.35 176.21 3d6x n VAL 28 N 4.85 1.56 -1.22 3.17 0.24 -1.26 -1.37 118.33 124.30 3d6x n VAL 28 Ca -0.14 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.34 61.69 3d6x n VAL 28 Cb 0.47 -0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 3d6x n VAL 28 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3d6x n LYS 29 N 1.16 -1.34 0.00 7.34 5.02 -1.26 -4.71 118.16 124.37 3d6x n LYS 29 Ca 0.12 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3d6x n LYS 29 Cb 0.30 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 3d6x n LYS 29 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3d6x n GLU 30 N -1.16 0.00 -3.82 1.97 2.13 -0.47 -4.81 120.64 114.48 3d6x n GLU 30 Ca -0.08 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.63 3d6x n GLU 30 Cb 0.45 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.07 3d6x n GLU 30 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3d6x s VAL 31 N -0.83 0.08 -0.02 6.31 0.11 -0.84 -0.95 120.40 124.25 3d6x s VAL 31 Ca 0.00 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 3d6x s VAL 31 Cb 0.00 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3d6x s VAL 31 CO 0.00 -0.35 -0.02 0.54 -3.33 0.00 0.00 175.10 171.94 3d6x s VAL 32 N -1.61 0.29 -0.11 2.04 0.11 -1.26 -1.21 120.40 118.64 3d6x s VAL 32 Ca -0.12 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 3d6x s VAL 32 Cb -0.05 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 3d6x s VAL 32 CO 0.02 0.14 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.98 3d6x s LEU 33 N 0.66 2.38 0.37 2.54 1.43 0.86 -4.40 118.68 122.52 3d6x s LEU 33 Ca -0.07 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 3d6x s LEU 33 Cb -0.10 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.66 3d6x s LEU 33 CO -0.01 0.16 0.73 -0.83 0.23 0.00 0.00 176.35 176.63 3d6x s GLY 34 N 0.35 0.54 0.17 -3.19 0.00 -1.02 -0.05 107.32 104.12 3d6x s GLY 34 Ca -0.15 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 3d6x s GLY 34 CO 0.07 -0.42 0.38 -2.52 0.00 0.00 0.00 173.10 170.61 3d6x s TYR 35 N -2.57 0.17 -0.06 1.90 1.13 -0.07 0.57 117.35 118.42 3d6x s TYR 35 Ca 0.18 -0.53 0.04 0.00 -1.41 0.00 0.00 57.07 55.35 3d6x s TYR 35 Cb -0.04 0.13 -0.00 0.00 -1.10 0.00 0.00 41.96 40.94 3d6x s TYR 35 CO 0.13 -0.79 -0.20 0.21 -2.51 0.00 0.00 175.55 172.39 3d6x s LYS 36 N -3.92 2.16 0.01 -3.49 2.20 -0.20 -0.77 119.74 115.72 3d6x s LYS 36 Ca 0.13 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 3d6x s LYS 36 Cb 0.02 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.50 3d6x s LYS 36 CO -0.02 0.25 1.04 -0.80 -0.36 0.00 0.00 175.35 175.45 3d6x s ASN 37 N 0.10 7.29 -0.21 1.43 0.01 -1.26 -0.61 114.94 121.69 3d6x s ASN 37 Ca -0.07 1.74 -0.08 0.00 -0.71 0.00 0.00 52.86 53.73 3d6x s ASN 37 Cb -0.14 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 3d6x s ASN 37 CO 0.04 -0.32 0.09 -0.63 -1.51 0.00 0.00 177.10 174.76 3d6x s ILE 38 N 1.10 4.83 0.02 0.60 -1.09 -0.45 -4.95 121.20 121.25 3d6x s ILE 38 Ca 0.53 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.88 3d6x s ILE 38 Cb -0.23 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 3d6x s ILE 38 CO 0.28 0.41 0.10 -0.55 -1.23 0.00 0.00 174.94 173.95 3d6x s SER 39 N 0.78 0.11 0.00 3.58 0.15 -1.26 -0.31 113.70 116.75 3d6x s SER 39 Ca 0.04 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 56.44 3d6x s SER 39 Cb -0.13 0.20 0.71 0.00 -1.71 0.00 0.00 66.02 65.09 3d6x s SER 39 CO 0.02 -0.42 1.23 2.30 1.20 0.00 0.00 173.24 177.57 3d6x n ILE 40 N 1.18 0.23 0.34 6.45 -6.64 -1.26 -1.39 119.36 118.27 3d6x n ILE 40 Ca -0.21 0.06 0.08 0.00 -1.77 0.00 0.00 62.75 60.90 3d6x n ILE 40 Cb 0.57 -0.86 0.35 0.00 -1.44 0.00 0.00 39.64 38.26 3d6x n ILE 40 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3d6x n SER 41 N -1.09 0.29 -4.70 7.28 7.64 -1.26 -4.71 113.62 117.06 3d6x n SER 41 Ca 0.08 0.59 -0.42 0.00 1.01 0.00 0.00 58.87 60.13 3d6x n SER 41 Cb 0.06 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 3d6x n SER 41 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d6x s ASP 42 N -3.53 7.26 0.61 6.43 -1.08 -0.48 -4.92 116.67 120.94 3d6x s ASP 42 Ca 0.04 1.53 0.34 0.00 -0.52 0.00 0.00 52.55 53.94 3d6x s ASP 42 Cb 0.07 -2.55 1.95 0.00 -1.46 0.00 0.00 42.92 40.94 3d6x s ASP 42 CO 0.26 -0.36 2.27 1.12 0.52 0.00 0.00 175.17 178.97 3d6x h HIS 43 N 6.99 0.00 0.00 -5.34 2.07 -1.90 -2.71 115.15 114.26 3d6x h HIS 43 Ca -0.35 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.16 3d6x h HIS 43 Cb 1.17 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 3d6x h HIS 43 CO 0.70 0.01 -0.08 -0.39 -3.07 0.00 0.00 177.93 175.10 3d6x h VAL 44 N 0.00 1.00 0.00 6.12 -1.51 -1.95 -3.37 116.25 116.54 3d6x h VAL 44 Ca -0.00 -0.27 -0.26 0.00 -1.23 0.00 0.00 66.70 64.95 3d6x h VAL 44 Cb 0.04 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3d6x h VAL 44 CO 0.00 0.07 1.71 0.49 -1.23 0.00 0.00 177.57 178.62 3d6x n PHE 45 N -4.37 0.83 0.01 5.19 3.01 -1.03 -0.31 117.46 120.80 3d6x n PHE 45 Ca -0.03 -1.45 0.00 0.00 1.01 0.00 0.00 57.45 56.98 3d6x n PHE 45 Cb 0.16 -1.36 0.00 0.00 -0.01 0.00 0.00 39.48 38.27 3d6x n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d6x n GLY 47 N 3.50 -0.02 2.39 1.37 0.00 -1.26 -4.04 105.19 107.13 3d6x n GLY 47 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 3d6x n GLY 47 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d6x n HIS 48 N -0.60 2.00 0.00 1.61 -0.00 0.58 -4.48 115.22 114.33 3d6x n HIS 48 Ca 0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 57.72 55.23 3d6x n HIS 48 Cb 0.04 -1.81 0.00 0.00 -0.00 0.00 0.00 29.99 28.22 3d6x n HIS 48 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3d6x n PHE 49 N 1.94 0.00 -1.68 1.57 0.99 -1.26 -2.89 117.46 116.15 3d6x n PHE 49 Ca 0.60 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 57.59 3d6x n PHE 49 Cb 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.84 3d6x n PHE 49 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3d6x n PRO 50 N 0.27 2.23 -0.95 -1.08 -0.02 -1.26 -0.86 135.00 133.32 3d6x n PRO 50 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3d6x n PRO 50 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 3d6x n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d6x n GLY 51 N 3.51 0.39 2.75 -1.23 0.00 -1.26 -4.89 105.19 104.45 3d6x n GLY 51 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 3d6x n GLY 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d6x n HIS 52 N -2.46 -3.48 -1.84 1.61 -0.00 -0.04 -5.13 115.22 103.88 3d6x n HIS 52 Ca 0.00 -1.65 -0.42 0.00 -0.00 0.00 0.00 57.72 55.64 3d6x n HIS 52 Cb 0.14 1.53 -0.03 0.00 -0.00 0.00 0.00 29.99 31.64 3d6x n HIS 52 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3d6x s PRO 53 N 0.74 3.91 -0.06 1.57 0.04 -1.19 -4.35 135.00 135.65 3d6x s PRO 53 Ca 0.31 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 3d6x s PRO 53 Cb 0.16 -4.13 0.03 0.00 0.04 0.00 0.00 34.50 30.60 3d6x s PRO 53 CO -0.19 -1.19 0.00 0.42 0.04 0.00 0.00 177.00 176.08 3d6x s ILE 54 N 5.14 0.32 -0.10 0.56 -1.09 -1.14 -4.57 121.20 120.33 3d6x s ILE 54 Ca 0.83 0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.09 3d6x s ILE 54 Cb -0.35 -0.48 -0.04 0.00 -1.58 0.00 0.00 42.46 40.02 3d6x s ILE 54 CO 0.35 0.24 1.46 -0.47 -1.23 0.00 0.00 174.94 175.29 3d6x s TYR 55 N 1.83 2.43 -0.01 3.97 6.14 0.45 -4.87 117.35 127.30 3d6x s TYR 55 Ca 0.03 0.61 -0.36 0.00 0.64 0.00 0.00 57.07 57.98 3d6x s TYR 55 Cb -0.12 -3.71 -0.14 0.00 0.42 0.00 0.00 41.96 38.40 3d6x s TYR 55 CO -0.04 -2.77 1.63 -2.30 0.64 0.00 0.00 175.55 172.71 3d6x n PRO 56 N 6.76 1.70 -0.27 4.97 -0.02 -1.26 -4.60 135.00 142.28 3d6x n PRO 56 Ca 0.15 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 3d6x n PRO 56 Cb 0.44 -2.36 0.22 0.00 -0.02 0.00 0.00 33.50 31.78 3d6x n PRO 56 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d6x h GLY 57 N 6.71 1.23 2.00 -1.23 0.00 -1.99 -0.44 103.07 109.34 3d6x h GLY 57 Ca -0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3d6x h GLY 57 CO 0.89 -0.18 -0.01 -0.39 0.00 0.00 0.00 176.54 176.85 3d6x h VAL 58 N 0.39 0.72 0.00 4.60 -1.51 -2.01 -0.33 116.25 118.10 3d6x h VAL 58 Ca 0.46 -0.04 -0.11 0.00 -1.23 0.00 0.00 66.70 65.78 3d6x h VAL 58 Cb 0.78 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 3d6x h VAL 58 CO -0.47 0.01 -0.54 -0.07 -1.23 0.00 0.00 177.57 175.27 3d6x h LEU 59 N 0.00 0.00 -0.42 4.19 3.38 -1.44 -2.36 115.31 118.65 3d6x h LEU 59 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3d6x h LEU 59 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3d6x h LEU 59 CO 0.00 0.54 0.11 0.40 0.09 0.00 0.00 178.44 179.58 3d6x h ILE 60 N 0.00 1.23 -0.69 1.22 2.04 -0.97 -0.85 117.51 119.49 3d6x h ILE 60 Ca -0.01 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3d6x h ILE 60 Cb 1.15 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 3d6x h ILE 60 CO 0.07 0.28 0.40 -0.07 0.00 0.00 0.00 178.15 178.83 3d6x h LEU 61 N 0.55 0.61 -0.90 1.44 3.38 -1.28 -2.22 115.31 116.88 3d6x h LEU 61 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3d6x h LEU 61 Cb 0.31 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3d6x h LEU 61 CO 0.00 0.40 0.40 -0.08 0.09 0.00 0.00 178.44 179.25 3d6x h GLU 62 N 0.74 1.19 -1.56 1.13 4.57 -1.06 -0.19 114.58 119.40 3d6x h GLU 62 Ca 0.30 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3d6x h GLU 62 Cb 0.15 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3d6x h GLU 62 CO -0.17 0.91 0.00 0.41 -1.18 0.00 0.00 179.01 178.99 3d6x n GLY 63 N -1.03 0.71 1.70 1.92 0.00 -0.36 -0.61 105.19 107.53 3d6x n GLY 63 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3d6x n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d6x n ALA 65 N 0.79 0.00 -0.12 4.61 0.00 -0.08 -1.60 120.51 124.10 3d6x n ALA 65 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3d6x n ALA 65 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 3d6x n ALA 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3d6x h GLN 66 N 0.00 0.85 -0.40 0.00 4.20 -1.12 -0.64 115.11 118.01 3d6x h GLN 66 Ca 0.00 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3d6x h GLN 66 Cb 0.00 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3d6x h GLN 66 CO 0.00 1.05 0.19 1.15 -0.67 0.00 0.00 178.83 180.55 3d6x h THR 67 N 0.65 1.17 -0.45 -0.54 2.02 -1.56 -1.36 112.91 112.84 3d6x h THR 67 Ca 0.07 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.82 3d6x h THR 67 Cb 0.84 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3d6x h THR 67 CO 0.07 0.18 0.30 1.23 0.37 0.00 0.00 175.52 177.68 3d6x h GLY 68 N 0.50 0.49 0.69 2.16 0.00 -1.79 -2.01 103.07 103.12 3d6x h GLY 68 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.34 3d6x h GLY 68 CO -0.02 0.13 0.10 -1.33 0.00 0.00 0.00 176.54 175.43 3d6x h GLY 69 N 0.41 0.41 0.98 4.60 0.00 -0.04 -0.37 103.07 109.06 3d6x h GLY 69 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3d6x h GLY 69 CO -0.05 0.02 0.08 -2.08 0.00 0.00 0.00 176.54 174.51 3d6x h VAL 70 N 0.24 1.05 -0.50 4.60 2.07 -0.65 0.12 116.25 123.18 3d6x h VAL 70 Ca 0.15 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3d6x h VAL 70 Cb 0.13 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3d6x h VAL 70 CO -0.16 0.05 0.14 0.25 0.02 0.00 0.00 177.57 177.87 3d6x h LEU 71 N 0.16 0.09 0.31 2.57 5.85 -1.21 0.93 115.31 124.01 3d6x h LEU 71 Ca 0.05 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3d6x h LEU 71 Cb 0.01 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3d6x h LEU 71 CO -0.01 0.08 -0.15 0.00 -0.34 0.00 0.00 178.44 178.02 3d6x h ALA 72 N 1.36 -0.42 -0.55 1.25 0.00 -0.52 -0.48 119.26 119.91 3d6x h ALA 72 Ca 0.25 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3d6x h ALA 72 Cb 0.30 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3d6x h ALA 72 CO -0.29 -0.73 0.37 0.74 0.00 0.00 0.00 179.25 179.34 3d6x h PHE 73 N -0.44 0.47 0.02 0.00 -1.00 -0.59 -2.36 116.94 113.04 3d6x h PHE 73 Ca -0.04 0.01 -0.21 0.00 2.81 0.00 0.00 57.97 60.54 3d6x h PHE 73 Cb 0.34 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 3d6x h PHE 73 CO -0.05 0.25 -0.96 0.93 -1.61 0.00 0.00 178.31 176.87 3d6x h GLU 74 N 0.46 0.12 -3.75 1.51 4.39 -0.26 -3.51 114.58 113.55 3d6x h GLU 74 Ca 0.24 -0.16 -0.63 0.00 0.34 0.00 0.00 59.36 59.14 3d6x h GLU 74 Cb 0.36 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3d6x h GLU 74 CO -0.07 0.98 3.08 0.43 -1.16 0.00 0.00 179.01 182.27 3d6x n SER 75 N -3.54 5.05 -3.00 1.42 7.64 -0.24 -5.00 113.62 115.95 3d6x n SER 75 Ca -0.03 -2.65 -0.20 0.00 1.01 0.00 0.00 58.87 57.00 3d6x n SER 75 Cb 0.87 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 3d6x n SER 75 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3d6x n ASP 81 N 5.42 2.25 0.00 6.43 4.64 -1.26 -4.90 116.55 129.13 3d6x n ASP 81 Ca 0.57 -3.22 0.00 0.00 -1.38 0.00 0.00 54.79 50.76 3d6x n ASP 81 Cb 0.31 -0.58 0.00 0.00 -1.04 0.00 0.00 41.12 39.81 3d6x n ASP 81 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3d6x n PRO 82 N 0.03 0.00 0.00 -0.67 -0.05 -1.26 -5.13 135.00 127.91 3d6x n PRO 82 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.71 3d6x n PRO 82 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.05 3d6x n PRO 82 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 3d6x n LYS 83 N 0.00 0.00 -3.49 0.54 5.02 -1.26 -5.12 118.16 113.85 3d6x n LYS 83 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3d6x n LYS 83 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 3d6x n LYS 83 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3d6x s SER 84 N 1.91 6.01 0.34 4.39 0.15 -1.26 -5.02 113.70 120.22 3d6x s SER 84 Ca 0.00 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 55.74 3d6x s SER 84 Cb 0.00 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 3d6x s SER 84 CO 0.00 -0.44 0.36 0.29 1.20 0.00 0.00 173.24 174.65 3d6x n LYS 85 N 5.12 0.52 -4.38 5.44 5.02 -1.26 -5.10 118.16 123.52 3d6x n LYS 85 Ca -0.11 -3.09 -0.29 0.00 -2.02 0.00 0.00 58.31 52.80 3d6x n LYS 85 Cb 0.47 2.69 -0.13 0.00 -0.02 0.00 0.00 35.03 38.04 3d6x n LYS 85 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3d6x s VAL 86 N -3.13 2.33 -0.43 -0.18 0.11 -1.26 -4.88 120.40 112.96 3d6x s VAL 86 Ca 0.35 -1.74 -0.09 0.00 -2.93 0.00 0.00 61.98 57.57 3d6x s VAL 86 Cb 0.01 -2.04 0.09 0.00 -1.53 0.00 0.00 36.38 32.91 3d6x s VAL 86 CO 0.25 0.08 0.27 -0.69 -3.33 0.00 0.00 175.10 171.69 3d6x s VAL 87 N -1.10 4.17 -0.28 2.04 1.01 -1.26 0.19 120.40 125.18 3d6x s VAL 87 Ca 0.15 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 3d6x s VAL 87 Cb -0.10 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3d6x s VAL 87 CO 0.07 -0.57 0.18 -0.47 0.00 0.00 0.00 175.10 174.31 3d6x s TYR 88 N 1.40 3.22 -0.36 5.22 6.04 -1.26 -5.00 117.35 126.60 3d6x s TYR 88 Ca 0.04 0.09 -0.22 0.00 0.04 0.00 0.00 57.07 57.01 3d6x s TYR 88 Cb -0.24 -2.36 0.01 0.00 -1.04 0.00 0.00 41.96 38.33 3d6x s TYR 88 CO 0.01 -0.16 0.73 -0.06 -1.54 0.00 0.00 175.55 174.53 3d6x s PHE 89 N 1.71 3.12 -0.82 4.97 0.08 -1.26 -4.41 117.98 121.38 3d6x s PHE 89 Ca 0.07 0.46 0.21 0.00 0.12 0.00 0.00 56.93 57.79 3d6x s PHE 89 Cb -0.16 -3.31 -0.24 0.00 -0.57 0.00 0.00 43.02 38.74 3d6x s PHE 89 CO 0.10 -0.70 0.81 0.25 -0.10 0.00 0.00 175.22 175.58 3d6x n THR 90 N 5.73 0.00 -3.61 0.64 -2.24 -0.47 -4.98 114.28 109.35 3d6x n THR 90 Ca 0.01 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 3d6x n THR 90 Cb 0.48 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 3d6x n THR 90 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d6x s GLY 91 N -3.19 -0.41 -0.02 3.38 0.00 -1.14 -5.00 107.32 100.94 3d6x s GLY 91 Ca 0.05 0.83 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3d6x s GLY 91 CO 0.85 0.53 -0.05 -0.42 0.00 0.00 0.00 173.10 174.01 3d6x s ILE 92 N -1.56 0.45 0.08 0.90 1.01 -1.26 -0.93 121.20 119.89 3d6x s ILE 92 Ca -0.10 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.41 3d6x s ILE 92 Cb -0.02 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 3d6x s ILE 92 CO 0.05 0.16 -0.11 -1.81 0.00 0.00 0.00 174.94 173.23 3d6x s ASP 93 N 0.29 1.40 -1.65 3.58 -0.00 0.03 -4.86 116.67 115.46 3d6x s ASP 93 Ca -0.03 -0.68 -0.13 0.00 -0.00 0.00 0.00 52.55 51.70 3d6x s ASP 93 Cb -0.07 -0.01 0.12 0.00 -0.00 0.00 0.00 42.92 42.96 3d6x s ASP 93 CO -0.00 -0.18 0.58 0.61 -0.00 0.00 0.00 175.17 176.17 3d6x n GLY 94 N 1.01 -0.35 3.69 0.21 0.00 -1.26 -0.97 105.19 107.53 3d6x n GLY 94 Ca -0.19 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3d6x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d6x s ALA 95 N -3.58 3.40 -0.03 4.61 0.00 -1.25 -4.16 121.76 120.75 3d6x s ALA 95 Ca 0.50 0.54 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3d6x s ALA 95 Cb -0.28 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3d6x s ALA 95 CO 0.94 -0.59 -0.12 0.15 0.00 0.00 0.00 175.76 176.14 3d6x s LYS 96 N 1.84 1.31 -0.22 0.00 1.02 0.49 -4.98 119.74 119.20 3d6x s LYS 96 Ca 0.53 -0.42 -0.07 0.00 0.02 0.00 0.00 55.97 56.03 3d6x s LYS 96 Cb -0.22 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 3d6x s LYS 96 CO 0.22 0.16 0.06 -0.06 -0.92 0.00 0.00 175.35 174.80 3d6x s PHE 97 N 0.17 3.11 -0.14 3.18 0.40 -1.26 -1.48 117.98 121.96 3d6x s PHE 97 Ca -0.04 -0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 3d6x s PHE 97 Cb -0.10 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 3d6x s PHE 97 CO 0.01 -0.21 -0.28 -2.13 0.70 0.00 0.00 175.22 173.31 3d6x n ARG 98 N 4.46 0.42 -4.18 0.44 0.63 0.26 -4.99 116.66 113.71 3d6x n ARG 98 Ca -0.16 0.17 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 3d6x n ARG 98 Cb 0.52 -1.24 -0.12 0.00 0.45 0.00 0.00 32.46 32.07 3d6x n ARG 98 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3d6x s ASN 99 N -5.53 1.65 0.55 6.15 0.01 -1.22 -5.06 114.94 111.49 3d6x s ASN 99 Ca -0.23 -0.69 -0.21 0.00 -0.71 0.00 0.00 52.86 51.02 3d6x s ASN 99 Cb 0.03 -0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.61 3d6x s ASN 99 CO 0.34 -0.14 1.28 -2.16 -1.51 0.00 0.00 177.10 174.92 3d6x s PRO 100 N -2.13 3.13 -0.13 -0.60 0.04 -1.26 -4.82 135.00 129.23 3d6x s PRO 100 Ca 0.01 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 3d6x s PRO 100 Cb -0.08 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3d6x s PRO 100 CO 0.02 -1.14 -0.10 0.08 0.04 0.00 0.00 177.00 175.90 3d6x s VAL 101 N -1.42 3.36 0.18 -0.36 1.01 -1.26 -5.02 120.40 116.89 3d6x s VAL 101 Ca 0.73 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.23 3d6x s VAL 101 Cb -0.36 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3d6x s VAL 101 CO 0.41 0.52 -0.17 -0.13 0.00 0.00 0.00 175.10 175.74 3d6x s ARG 102 N 0.19 1.29 0.19 2.72 3.00 -1.26 -0.41 118.95 124.67 3d6x s ARG 102 Ca -0.06 -1.48 -0.32 0.00 0.00 0.00 0.00 55.73 53.87 3d6x s ARG 102 Cb -0.15 -1.24 -0.15 0.00 0.00 0.00 0.00 34.95 33.41 3d6x s ARG 102 CO 0.04 0.23 1.19 -2.30 0.00 0.00 0.00 175.30 174.46 3d6x n PRO 103 N 0.03 1.29 0.00 3.54 -0.02 -1.26 -1.60 135.00 136.97 3d6x n PRO 103 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3d6x n PRO 103 Cb 0.58 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3d6x n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d6x n GLY 104 N 1.99 2.39 3.77 -1.23 0.00 0.57 -4.94 105.19 107.76 3d6x n GLY 104 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3d6x n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d6x s ASP 105 N -1.48 7.41 -0.27 1.61 -0.00 -0.63 -4.89 116.67 118.43 3d6x s ASP 105 Ca 0.00 1.76 -0.20 0.00 -0.00 0.00 0.00 52.55 54.10 3d6x s ASP 105 Cb 0.00 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.36 3d6x s ASP 105 CO 0.00 0.10 0.62 -0.60 -0.00 0.00 0.00 175.17 175.29 3d6x s ARG 106 N -1.50 4.04 -0.53 8.23 3.52 -1.26 -1.34 118.95 130.12 3d6x s ARG 106 Ca 0.42 0.46 -0.20 0.00 -0.13 0.00 0.00 55.73 56.28 3d6x s ARG 106 Cb -0.22 -3.67 0.06 0.00 -1.56 0.00 0.00 34.95 29.56 3d6x s ARG 106 CO 0.27 -0.46 0.68 -1.17 -0.81 0.00 0.00 175.30 173.81 3d6x s LEU 107 N 2.53 4.91 -0.25 -0.88 2.96 0.22 -4.42 118.68 123.74 3d6x s LEU 107 Ca 0.26 -0.93 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 3d6x s LEU 107 Cb -0.15 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3d6x s LEU 107 CO 0.10 -0.98 0.73 -1.81 -1.32 0.00 0.00 176.35 173.06 3d6x s ASP 108 N 2.88 6.69 -0.06 3.68 1.01 0.12 -1.03 116.67 129.96 3d6x s ASP 108 Ca 0.16 0.84 -0.08 0.00 0.71 0.00 0.00 52.55 54.18 3d6x s ASP 108 Cb -0.19 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3d6x s ASP 108 CO 0.12 -0.45 0.22 -0.31 0.21 0.00 0.00 175.17 174.96 3d6x s TYR 109 N 2.68 3.62 0.35 4.23 1.51 0.19 -0.21 117.35 129.72 3d6x s TYR 109 Ca 0.30 0.63 0.04 0.00 -1.01 0.00 0.00 57.07 57.03 3d6x s TYR 109 Cb -0.15 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3d6x s TYR 109 CO 0.08 0.69 0.14 -1.21 -1.11 0.00 0.00 175.55 174.14 3d6x s GLU 110 N -1.23 1.74 -0.28 -0.62 2.02 0.13 -2.45 118.70 118.01 3d6x s GLU 110 Ca 0.20 -2.02 -0.27 0.00 0.02 0.00 0.00 54.97 52.90 3d6x s GLU 110 Cb -0.13 -0.39 0.18 0.00 0.10 0.00 0.00 34.13 33.89 3d6x s GLU 110 CO 0.09 -0.43 1.35 -1.12 0.02 0.00 0.00 175.26 175.17 3d6x s SER 112 N -3.48 -0.10 -0.20 -0.19 0.01 -0.05 -1.11 113.70 108.57 3d6x s SER 112 Ca 0.31 0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.44 3d6x s SER 112 Cb 0.04 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.43 3d6x s SER 112 CO 0.16 -0.05 1.04 -0.69 0.41 0.00 0.00 173.24 174.11 3d6x s VAL 113 N -0.39 4.68 -0.15 3.43 1.01 -0.13 -0.20 120.40 128.66 3d6x s VAL 113 Ca 0.07 2.01 0.08 0.00 0.00 0.00 0.00 61.98 64.14 3d6x s VAL 113 Cb -0.03 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 3d6x s VAL 113 CO -0.11 -0.14 0.24 1.33 0.00 0.00 0.00 175.10 176.42 3d6x n VAL 114 N 5.17 1.56 -3.84 2.92 0.24 0.92 -4.89 118.33 120.41 3d6x n VAL 114 Ca 0.11 -0.74 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 3d6x n VAL 114 Cb 0.46 -1.10 -0.11 0.00 -1.47 0.00 0.00 33.84 31.62 3d6x n VAL 114 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3d6x s LYS 115 N -2.54 0.30 -0.04 7.34 2.47 -1.08 -5.01 119.74 121.18 3d6x s LYS 115 Ca -0.16 -0.00 -0.01 0.00 -1.56 0.00 0.00 55.97 54.24 3d6x s LYS 115 Cb 0.07 0.13 0.03 0.00 -1.46 0.00 0.00 37.83 36.60 3d6x s LYS 115 CO 0.77 -0.06 0.01 1.21 0.16 0.00 0.00 175.35 177.44 3d6x s ASN 116 N -0.45 0.89 -0.15 1.43 3.84 -1.26 -1.19 114.94 118.05 3d6x s ASN 116 Ca -0.05 -0.02 -0.04 0.00 0.21 0.00 0.00 52.86 52.96 3d6x s ASN 116 Cb -0.04 -0.26 0.05 0.00 -0.55 0.00 0.00 41.25 40.46 3d6x s ASN 116 CO 0.01 -0.16 0.07 0.00 -2.79 0.00 0.00 177.10 174.23 3d6x s ARG 117 N 1.52 0.15 1.96 0.43 1.70 -1.26 -5.03 118.95 118.42 3d6x s ARG 117 Ca -0.03 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 3d6x s ARG 117 Cb -0.13 -1.66 0.00 0.00 -0.57 0.00 0.00 34.95 32.59 3d6x s ARG 117 CO -0.03 -0.61 0.00 0.41 -1.08 0.00 0.00 175.30 174.00 3d6x n GLY 118 N 5.24 2.21 3.06 3.88 0.00 -1.26 -4.77 105.19 113.56 3d6x n GLY 118 Ca -0.07 0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 3d6x n GLY 118 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d6x n ASN 119 N 5.17 5.58 0.00 1.61 6.94 -1.26 -5.02 115.26 128.27 3d6x n ASN 119 Ca 0.00 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.39 3d6x n ASN 119 Cb 0.00 -1.42 0.00 0.00 -2.36 0.00 0.00 39.78 36.00 3d6x n ASN 119 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 3d6x n TRP 121 N 3.23 0.00 -4.74 -2.53 7.02 -0.57 -2.02 117.44 117.83 3d6x n TRP 121 Ca 0.33 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.52 3d6x n TRP 121 Cb 0.37 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.09 3d6x n TRP 121 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3d6x s ILE 122 N -0.39 1.66 -0.03 -0.99 1.01 -0.33 -0.61 121.20 121.52 3d6x s ILE 122 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3d6x s ILE 122 Cb 0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3d6x s ILE 122 CO 0.00 0.47 -0.20 -0.36 0.00 0.00 0.00 174.94 174.85 3d6x s PHE 123 N 0.70 2.51 -0.24 3.97 0.40 0.03 -0.05 117.98 125.30 3d6x s PHE 123 Ca -0.12 -0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 55.74 3d6x s PHE 123 Cb -0.16 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 3d6x s PHE 123 CO 0.03 0.07 0.43 0.21 0.70 0.00 0.00 175.22 176.67 3d6x s LYS 124 N -0.68 4.09 0.00 0.44 2.20 0.72 -1.05 119.74 125.46 3d6x s LYS 124 Ca 0.11 0.20 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 3d6x s LYS 124 Cb -0.10 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3d6x s LYS 124 CO -0.00 -0.22 -0.25 0.20 -0.36 0.00 0.00 175.35 174.72 3d6x s GLY 125 N 1.40 1.34 -0.00 5.54 0.00 0.22 -0.87 107.32 114.95 3d6x s GLY 125 Ca 0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 3d6x s GLY 125 CO 0.09 -0.99 0.04 1.20 0.00 0.00 0.00 173.10 173.44 3d6x s GLN 126 N -0.85 0.23 -0.02 2.90 -0.21 -0.27 -1.55 119.66 119.89 3d6x s GLN 126 Ca 0.11 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.31 3d6x s GLN 126 Cb -0.10 0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.98 3d6x s GLN 126 CO 0.00 -0.04 -0.22 0.00 -2.12 0.00 0.00 175.29 172.91 3d6x s ALA 127 N -0.74 1.84 0.10 6.09 0.00 0.32 -0.70 121.76 128.68 3d6x s ALA 127 Ca -0.08 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.97 3d6x s ALA 127 Cb -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3d6x s ALA 127 CO -0.00 0.45 -0.12 -0.06 0.00 0.00 0.00 175.76 176.03 3d6x s PHE 128 N -0.50 1.20 -0.11 0.00 0.40 0.70 -0.02 117.98 119.65 3d6x s PHE 128 Ca 0.08 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3d6x s PHE 128 Cb -0.09 -0.65 0.03 0.00 0.51 0.00 0.00 43.02 42.83 3d6x s PHE 128 CO -0.01 0.06 -0.02 0.08 0.70 0.00 0.00 175.22 176.03 3d6x s VAL 129 N -2.13 0.66 -1.53 -0.44 1.01 -0.61 0.11 120.40 117.46 3d6x s VAL 129 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3d6x s VAL 129 Cb -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3d6x s VAL 129 CO 0.01 0.23 0.14 0.47 0.00 0.00 0.00 175.10 175.95 3d6x n ASP 130 N 5.05 -5.33 0.00 3.32 10.43 -1.26 -1.51 116.55 127.25 3d6x n ASP 130 Ca -0.09 -0.03 0.00 0.00 2.57 0.00 0.00 54.79 57.23 3d6x n ASP 130 Cb 0.49 -4.42 0.00 0.00 1.84 0.00 0.00 41.12 39.03 3d6x n ASP 130 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d6x n GLY 131 N -1.06 0.50 3.63 0.44 0.00 -1.26 -5.02 105.19 102.42 3d6x n GLY 131 Ca -0.19 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3d6x n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d6x s ASN 132 N -2.10 6.08 0.08 1.61 0.01 -0.57 -5.05 114.94 115.01 3d6x s ASN 132 Ca 0.00 0.07 -0.33 0.00 -0.71 0.00 0.00 52.86 51.89 3d6x s ASN 132 Cb 0.00 -2.12 -0.12 0.00 0.41 0.00 0.00 41.25 39.42 3d6x s ASN 132 CO 0.00 0.01 1.75 -0.11 -1.51 0.00 0.00 177.10 177.24 3d6x n LEU 133 N 4.65 3.53 -0.03 0.60 7.94 -1.26 -1.58 117.00 130.86 3d6x n LEU 133 Ca -0.14 1.02 -0.03 0.00 -1.11 0.00 0.00 56.01 55.75 3d6x n LEU 133 Cb 0.52 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 42.97 3d6x n LEU 133 CO 0.34 -0.06 -0.68 1.33 -1.11 0.00 0.00 177.39 177.21 3d6x n VAL 134 N 4.34 0.38 -3.73 1.96 0.24 0.97 -4.44 118.33 118.05 3d6x n VAL 134 Ca 0.19 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 3d6x n VAL 134 Cb 0.32 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 3d6x n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d6x s ALA 135 N -2.13 -0.63 0.05 2.33 0.00 -1.16 0.92 121.76 121.14 3d6x s ALA 135 Ca -0.03 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 3d6x s ALA 135 Cb 0.02 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.78 3d6x s ALA 135 CO 0.23 -0.59 0.44 -1.83 0.00 0.00 0.00 175.76 174.01 3d6x s GLU 136 N -3.83 0.96 -0.13 0.00 -1.05 -0.55 -0.52 118.70 113.58 3d6x s GLU 136 Ca 0.04 -0.35 -0.32 0.00 -0.15 0.00 0.00 54.97 54.18 3d6x s GLU 136 Cb 0.03 0.43 0.13 0.00 -0.44 0.00 0.00 34.13 34.28 3d6x s GLU 136 CO -0.11 -0.34 1.09 0.00 0.95 0.00 0.00 175.26 176.84 3d6x s ALA 137 N -2.55 -1.98 -0.23 -0.84 0.00 -0.59 -0.38 121.76 115.19 3d6x s ALA 137 Ca -0.05 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.23 3d6x s ALA 137 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3d6x s ALA 137 CO -0.03 -0.59 0.11 -2.00 0.00 0.00 0.00 175.76 173.25 3d6x s GLU 138 N -2.50 3.89 -0.10 0.00 2.12 -0.14 -0.61 118.70 121.36 3d6x s GLU 138 Ca 0.07 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.05 3d6x s GLU 138 Cb -0.01 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3d6x s GLU 138 CO -0.06 0.02 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.02 3d6x s LEU 139 N 1.11 2.66 -0.15 2.70 1.43 -0.22 -0.79 118.68 125.42 3d6x s LEU 139 Ca 0.05 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3d6x s LEU 139 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3d6x s LEU 139 CO 0.04 0.22 0.04 -0.75 0.23 0.00 0.00 176.35 176.14 3d6x s LYS 140 N -0.01 3.64 0.00 1.70 2.20 -0.11 -0.79 119.74 126.38 3d6x s LYS 140 Ca -0.04 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3d6x s LYS 140 Cb -0.14 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3d6x s LYS 140 CO 0.04 0.43 0.00 0.00 -0.36 0.00 0.00 175.35 175.46 3d6x n ALA 141 N 3.03 0.00 -3.31 3.13 0.00 0.22 -1.37 120.51 122.21 3d6x n ALA 141 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 3d6x n ALA 141 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 3d6x n ALA 141 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3d6x s ILE 143 N -0.30 0.40 -0.51 0.00 -0.00 -0.85 -1.51 121.20 118.43 3d6x s ILE 143 Ca 0.00 -0.11 0.04 0.00 -0.00 0.00 0.00 60.65 60.58 3d6x s ILE 143 Cb 0.00 -0.41 0.03 0.00 -0.00 0.00 0.00 42.46 42.08 3d6x s ILE 143 CO 0.00 0.16 0.63 0.52 -0.00 0.00 0.00 174.94 176.25