#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6x s ASP 3 N 0.00 4.37 0.00 4.38 1.47 -1.26 -1.06 116.67 124.57 3d6x s ASP 3 Ca 0.00 0.19 0.00 0.00 1.18 0.00 0.00 52.55 53.92 3d6x s ASP 3 Cb 0.00 -0.66 0.00 0.00 -0.34 0.00 0.00 42.92 41.92 3d6x s ASP 3 CO 0.00 -1.88 0.42 0.55 0.68 0.00 0.00 175.17 174.95 3d6x n VAL 4 N -3.05 0.42 0.00 2.11 3.14 -1.23 -0.62 118.33 119.10 3d6x n VAL 4 Ca 0.11 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 3d6x n VAL 4 Cb 0.60 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 3d6x n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d6x n GLN 6 N 1.27 0.00 -0.18 1.45 6.02 -1.26 -0.92 117.38 123.76 3d6x n GLN 6 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3d6x n GLN 6 Cb 0.15 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.42 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 0.21 -0.07 5.09 2.04 -1.18 0.11 117.51 123.70 3d6x h ILE 7 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3d6x h ILE 7 Cb 0.00 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3d6x h ILE 7 CO 0.00 0.00 0.18 1.56 0.00 0.00 0.00 178.15 179.89 3d6x h GLN 8 N -0.17 0.00 0.00 2.37 4.20 -1.27 0.62 115.11 120.86 3d6x h GLN 8 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3d6x h GLN 8 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3d6x h GLN 8 CO -0.64 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 175.61 3d6x n GLU 9 N -3.28 0.02 -0.03 1.46 4.07 0.36 -4.24 120.64 119.00 3d6x n GLU 9 Ca -0.01 0.07 -0.08 0.00 -0.06 0.00 0.00 57.16 57.09 3d6x n GLU 9 Cb 0.26 -1.52 -0.03 0.00 -0.06 0.00 0.00 31.44 30.09 3d6x n GLU 9 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3d6x n ILE 10 N -1.56 1.05 -2.93 6.31 5.41 0.19 -4.99 119.36 122.85 3d6x n ILE 10 Ca 0.06 0.10 -0.36 0.00 1.00 0.00 0.00 62.75 63.55 3d6x n ILE 10 Cb 0.31 -1.80 -0.06 0.00 -0.71 0.00 0.00 39.64 37.37 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 -7.07 4.29 0.14 1.39 1.43 0.04 -4.98 118.68 113.92 3d6x s LEU 11 Ca -0.14 1.63 0.27 0.00 -1.03 0.00 0.00 54.13 54.86 3d6x s LEU 11 Cb 0.04 -3.90 0.95 0.00 0.03 0.00 0.00 46.19 43.31 3d6x s LEU 11 CO 0.19 -0.06 1.82 -0.81 0.23 0.00 0.00 176.35 177.72 3d6x n PRO 12 N 0.46 0.18 -1.91 1.29 -0.04 -1.26 -4.56 135.00 129.16 3d6x n PRO 12 Ca 0.01 0.14 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 3d6x n PRO 12 Cb 0.51 -1.70 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 3d6x n PRO 12 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3d6x s HIS 13 N -3.07 2.59 0.23 0.54 3.76 -1.26 -5.02 115.29 113.05 3d6x s HIS 13 Ca 0.12 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 3d6x s HIS 13 Cb 0.15 -3.80 -0.05 0.00 1.11 0.00 0.00 32.58 29.99 3d6x s HIS 13 CO 0.58 -2.57 0.04 1.03 -0.85 0.00 0.00 174.74 172.96 3d6x s ARG 14 N -2.42 1.30 0.36 1.40 1.81 -1.26 -4.80 118.95 115.33 3d6x s ARG 14 Ca 0.61 -1.67 -0.28 0.00 -1.72 0.00 0.00 55.73 52.67 3d6x s ARG 14 Cb -0.41 -0.37 -0.12 0.00 -0.45 0.00 0.00 34.95 33.61 3d6x s ARG 14 CO 0.52 -0.19 1.32 0.98 -0.68 0.00 0.00 175.30 177.25 3d6x n TYR 15 N -0.39 2.36 -0.85 -0.53 9.36 -1.26 -0.06 117.16 125.80 3d6x n TYR 15 Ca -0.03 0.53 -0.16 0.00 3.32 0.00 0.00 57.90 61.55 3d6x n TYR 15 Cb 0.65 -2.43 0.19 0.00 -0.63 0.00 0.00 39.34 37.12 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 0.46 2.44 -1.63 2.98 -0.04 -1.26 -4.90 135.00 133.06 3d6x n PRO 16 Ca 0.04 -2.58 -0.04 0.00 -0.04 0.00 0.00 63.50 60.88 3d6x n PRO 16 Cb 0.37 -2.03 0.09 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.66 1.05 -3.62 0.54 -0.00 0.91 -4.97 117.46 110.71 3d6x n PHE 17 Ca 0.46 -1.63 -0.40 0.00 -0.00 0.00 0.00 57.45 55.88 3d6x n PHE 17 Cb 1.43 -0.25 -0.11 0.00 -0.00 0.00 0.00 39.48 40.55 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 -2.80 4.90 -0.23 -2.13 2.96 -1.08 -4.54 118.68 115.75 3d6x s LEU 18 Ca 0.39 -1.28 0.13 0.00 -0.22 0.00 0.00 54.13 53.16 3d6x s LEU 18 Cb 0.38 -1.99 0.50 0.00 0.50 0.00 0.00 46.19 45.58 3d6x s LEU 18 CO -0.05 -0.46 1.42 0.18 -1.32 0.00 0.00 176.35 176.12 3d6x n LEU 19 N 4.94 3.89 -3.99 -0.68 4.77 -1.26 -4.87 117.00 119.80 3d6x n LEU 19 Ca -0.11 -3.37 -0.27 0.00 -0.03 0.00 0.00 56.01 52.23 3d6x n LEU 19 Cb 0.44 -0.58 -0.17 0.00 -2.33 0.00 0.00 43.42 40.79 3d6x n LEU 19 CO 0.37 0.94 -0.47 -0.69 -1.33 0.00 0.00 177.39 176.22 3d6x s VAL 20 N -3.03 1.26 -0.06 4.08 1.01 -1.26 -4.59 120.40 117.82 3d6x s VAL 20 Ca 0.43 -0.48 0.14 0.00 0.00 0.00 0.00 61.98 62.07 3d6x s VAL 20 Cb 0.37 -1.20 -0.19 0.00 0.00 0.00 0.00 36.38 35.36 3d6x s VAL 20 CO 0.04 0.40 0.76 0.44 0.00 0.00 0.00 175.10 176.75 3d6x h ASP 21 N 7.72 0.00 -3.59 3.32 3.32 -1.19 -3.47 116.42 122.52 3d6x h ASP 21 Ca -0.32 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.76 3d6x h ASP 21 Cb 1.15 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.46 3d6x h ASP 21 CO 0.46 0.85 0.37 -0.75 -1.72 0.00 0.00 179.24 178.45 3d6x s LYS 22 N -2.72 0.63 -0.26 3.56 2.20 -1.11 -3.57 119.74 118.47 3d6x s LYS 22 Ca -0.04 0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 56.11 3d6x s LYS 22 Cb 0.08 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 3d6x s LYS 22 CO 0.82 -0.10 0.11 0.42 -0.36 0.00 0.00 175.35 176.24 3d6x s ILE 23 N 0.04 4.70 -0.12 5.43 1.09 -0.22 -0.79 121.20 131.33 3d6x s ILE 23 Ca 0.01 -0.04 0.17 0.00 -1.10 0.00 0.00 60.65 59.70 3d6x s ILE 23 Cb -0.04 -3.21 -0.18 0.00 -1.06 0.00 0.00 42.46 37.97 3d6x s ILE 23 CO -0.03 0.31 0.66 0.35 -0.10 0.00 0.00 174.94 176.13 3d6x n THR 24 N 4.89 1.11 -3.73 2.92 -2.24 0.61 -0.68 114.28 117.16 3d6x n THR 24 Ca -0.15 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 60.79 3d6x n THR 24 Cb 0.52 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.91 0.47 -0.22 -0.78 2.12 -0.87 -4.83 118.70 111.69 3d6x s GLU 25 Ca -0.05 0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.82 3d6x s GLU 25 Cb 0.09 0.23 0.11 0.00 0.26 0.00 0.00 34.13 34.81 3d6x s GLU 25 CO 0.83 -0.06 0.26 -1.17 -0.54 0.00 0.00 175.26 174.58 3d6x s LEU 26 N 0.24 -0.23 -0.28 2.70 1.98 -1.26 0.05 118.68 121.87 3d6x s LEU 26 Ca -0.00 -0.16 -0.05 0.00 -2.89 0.00 0.00 54.13 51.02 3d6x s LEU 26 Cb -0.03 0.55 0.01 0.00 0.66 0.00 0.00 46.19 47.38 3d6x s LEU 26 CO 0.00 -0.33 0.04 -0.54 -1.89 0.00 0.00 176.35 173.63 3d6x s LYS 27 N 2.38 3.00 0.13 1.98 1.02 -0.17 -5.02 119.74 123.05 3d6x s LYS 27 Ca 0.08 -0.90 -0.35 0.00 0.02 0.00 0.00 55.97 54.83 3d6x s LYS 27 Cb -0.16 -3.25 -0.16 0.00 -0.52 0.00 0.00 37.83 33.74 3d6x s LYS 27 CO -0.14 -0.43 1.25 1.33 -0.92 0.00 0.00 175.35 176.43 3d6x n VAL 28 N 4.80 0.46 -1.27 3.17 0.24 -1.26 -1.54 118.33 122.94 3d6x n VAL 28 Ca -0.15 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 3d6x n VAL 28 Cb 0.48 -0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 31.98 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 2.12 -1.26 0.00 7.34 5.02 -1.26 -4.73 118.16 125.39 3d6x n LYS 29 Ca 0.17 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3d6x n LYS 29 Cb 0.22 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 3d6x n LYS 29 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d6x n GLU 30 N -1.48 0.00 -3.76 1.97 1.02 -0.59 -4.82 120.64 112.98 3d6x n GLU 30 Ca -0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.92 3d6x n GLU 30 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.80 3d6x n GLU 30 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d6x s VAL 31 N -0.93 0.06 -0.01 2.62 0.11 -0.78 -0.91 120.40 120.57 3d6x s VAL 31 Ca 0.00 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 3d6x s VAL 31 Cb 0.00 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3d6x s VAL 31 CO 0.00 -0.29 -0.07 0.54 -3.33 0.00 0.00 175.10 171.95 3d6x s VAL 32 N -1.63 0.58 -0.08 2.04 0.11 -1.26 -1.00 120.40 119.15 3d6x s VAL 32 Ca -0.11 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.68 3d6x s VAL 32 Cb -0.04 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 3d6x s VAL 32 CO 0.02 0.17 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.97 3d6x s LEU 33 N -0.09 2.05 0.35 2.54 1.43 0.11 -4.44 118.68 120.64 3d6x s LEU 33 Ca 0.02 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3d6x s LEU 33 Cb -0.04 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.87 3d6x s LEU 33 CO -0.00 0.18 0.65 -0.83 0.23 0.00 0.00 176.35 176.58 3d6x s GLY 34 N 0.17 0.75 0.18 -3.19 0.00 -1.01 -0.28 107.32 103.95 3d6x s GLY 34 Ca -0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 3d6x s GLY 34 CO 0.07 -0.56 0.29 -2.52 0.00 0.00 0.00 173.10 170.38 3d6x s TYR 35 N -2.79 0.51 -0.07 1.90 1.13 0.03 0.25 117.35 118.30 3d6x s TYR 35 Ca 0.21 -0.85 0.03 0.00 -1.41 0.00 0.00 57.07 55.04 3d6x s TYR 35 Cb -0.03 -0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 3d6x s TYR 35 CO 0.14 -0.76 -0.15 0.21 -2.51 0.00 0.00 175.55 172.49 3d6x s LYS 36 N -4.01 1.98 0.08 -3.49 2.20 -0.57 -0.60 119.74 115.32 3d6x s LYS 36 Ca 0.21 -0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.00 3d6x s LYS 36 Cb 0.03 -1.59 -0.06 0.00 -1.51 0.00 0.00 37.83 34.70 3d6x s LYS 36 CO 0.03 0.06 1.29 -0.80 -0.36 0.00 0.00 175.35 175.57 3d6x s ASN 37 N 0.59 6.96 -0.18 1.43 0.01 -1.26 -1.04 114.94 121.44 3d6x s ASN 37 Ca -0.15 2.14 -0.06 0.00 -0.71 0.00 0.00 52.86 54.07 3d6x s ASN 37 Cb -0.16 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 3d6x s ASN 37 CO 0.05 -0.56 0.04 -0.63 -1.51 0.00 0.00 177.10 174.48 3d6x s ILE 38 N 1.20 4.50 0.01 0.60 -1.09 -0.53 -4.95 121.20 120.94 3d6x s ILE 38 Ca 0.61 -0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 3d6x s ILE 38 Cb -0.32 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3d6x s ILE 38 CO 0.29 0.45 0.14 -0.55 -1.23 0.00 0.00 174.94 174.04 3d6x s SER 39 N 0.54 0.03 0.00 3.58 0.15 -1.26 -0.26 113.70 116.48 3d6x s SER 39 Ca 0.02 -0.22 0.17 0.00 0.70 0.00 0.00 55.95 56.61 3d6x s SER 39 Cb -0.13 0.21 0.98 0.00 -1.71 0.00 0.00 66.02 65.36 3d6x s SER 39 CO 0.01 -0.38 1.46 2.30 1.20 0.00 0.00 173.24 177.83 3d6x n ILE 40 N 1.40 0.17 1.23 6.45 -6.64 -1.26 -1.64 119.36 119.06 3d6x n ILE 40 Ca -0.23 0.04 0.11 0.00 -1.77 0.00 0.00 62.75 60.90 3d6x n ILE 40 Cb 0.56 -0.77 0.60 0.00 -1.44 0.00 0.00 39.64 38.59 3d6x n ILE 40 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3d6x n SER 41 N -1.09 0.00 -4.69 7.28 3.41 -1.26 -4.74 113.62 112.53 3d6x n SER 41 Ca 0.11 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.85 3d6x n SER 41 Cb 0.08 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3d6x n SER 41 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d6x s ASP 42 N -2.19 7.25 0.56 4.04 -1.08 -0.65 -4.95 116.67 119.64 3d6x s ASP 42 Ca 0.28 1.53 0.25 0.00 -0.52 0.00 0.00 52.55 54.09 3d6x s ASP 42 Cb 0.15 -2.55 1.50 0.00 -1.46 0.00 0.00 42.92 40.56 3d6x s ASP 42 CO 0.27 -0.39 2.09 1.12 0.52 0.00 0.00 175.17 178.78 3d6x h HIS 43 N 7.03 0.00 -0.72 -5.34 2.07 -1.90 -2.73 115.15 113.56 3d6x h HIS 43 Ca -0.33 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.25 3d6x h HIS 43 Cb 1.16 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.10 3d6x h HIS 43 CO 0.70 0.00 0.48 -0.39 -3.07 0.00 0.00 177.93 175.65 3d6x h VAL 44 N 0.00 1.01 0.00 6.12 -1.51 -1.95 -3.37 116.25 116.55 3d6x h VAL 44 Ca 0.11 -0.26 -0.34 0.00 -1.23 0.00 0.00 66.70 64.99 3d6x h VAL 44 Cb 0.50 0.21 0.01 0.00 -2.13 0.00 0.00 31.29 29.88 3d6x h VAL 44 CO -0.00 0.14 2.29 0.49 -1.23 0.00 0.00 177.57 179.25 3d6x n PHE 45 N -4.48 1.17 0.05 5.19 3.01 -1.03 -0.24 117.46 121.12 3d6x n PHE 45 Ca 0.11 -1.79 0.00 0.00 1.01 0.00 0.00 57.45 56.77 3d6x n PHE 45 Cb 0.24 -1.57 0.00 0.00 -0.01 0.00 0.00 39.48 38.14 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 3.66 -0.07 2.51 1.37 0.00 -1.26 -4.10 105.19 107.29 3d6x n GLY 47 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.70 2.21 0.00 1.61 -0.00 0.66 -4.51 115.22 114.49 3d6x n HIS 48 Ca 0.00 -2.42 0.00 0.00 -0.00 0.00 0.00 57.72 55.30 3d6x n HIS 48 Cb 0.19 -1.58 0.00 0.00 -0.00 0.00 0.00 29.99 28.60 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 1.17 0.00 -1.64 1.57 0.99 -1.26 -2.67 117.46 115.62 3d6x n PHE 49 Ca 0.56 0.00 -0.58 0.00 -0.00 0.00 0.00 57.45 57.43 3d6x n PHE 49 Cb 0.37 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.78 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 0.07 0.74 -0.93 -1.08 -0.02 -1.26 0.07 135.00 132.59 3d6x n PRO 50 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3d6x n PRO 50 Cb 0.00 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.12 0.30 2.75 -1.23 0.00 -1.26 -4.88 105.19 103.99 3d6x n GLY 51 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.35 -3.45 -2.05 1.61 -0.00 0.11 -5.13 115.22 103.96 3d6x n HIS 52 Ca 0.00 -1.54 -0.43 0.00 -0.00 0.00 0.00 57.72 55.75 3d6x n HIS 52 Cb 0.19 1.52 -0.03 0.00 -0.00 0.00 0.00 29.99 31.67 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 0.76 3.79 -0.07 1.57 0.04 -1.16 -4.30 135.00 135.64 3d6x s PRO 53 Ca 0.31 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.13 3d6x s PRO 53 Cb 0.13 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.62 3d6x s PRO 53 CO -0.16 -1.31 -0.11 0.42 0.04 0.00 0.00 177.00 175.89 3d6x s ILE 54 N 5.31 1.04 -0.03 0.56 1.01 -1.09 -4.53 121.20 123.47 3d6x s ILE 54 Ca 0.74 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 3d6x s ILE 54 Cb -0.27 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.18 3d6x s ILE 54 CO 0.30 0.34 1.54 -0.47 0.00 0.00 0.00 174.94 176.65 3d6x s TYR 55 N 0.80 2.40 0.10 3.97 6.04 -0.13 -4.87 117.35 125.65 3d6x s TYR 55 Ca -0.12 0.48 -0.33 0.00 0.04 0.00 0.00 57.07 57.14 3d6x s TYR 55 Cb -0.15 -3.81 -0.12 0.00 -1.04 0.00 0.00 41.96 36.84 3d6x s TYR 55 CO 0.02 -3.22 1.73 -2.30 -1.54 0.00 0.00 175.55 170.25 3d6x n PRO 56 N 6.30 2.38 -0.25 4.97 -0.02 -1.26 -4.63 135.00 142.49 3d6x n PRO 56 Ca 0.15 0.87 0.01 0.00 -2.02 0.00 0.00 63.50 62.51 3d6x n PRO 56 Cb 0.43 -2.69 0.09 0.00 -0.02 0.00 0.00 33.50 31.30 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 7.46 0.55 2.00 -1.23 0.00 -1.99 -0.93 103.07 108.92 3d6x h GLY 57 Ca -0.46 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3d6x h GLY 57 CO 0.92 -0.28 -0.00 -0.39 0.00 0.00 0.00 176.54 176.79 3d6x h VAL 58 N 0.01 0.85 0.00 4.60 -1.51 -2.01 0.11 116.25 118.31 3d6x h VAL 58 Ca 0.36 -0.01 -0.09 0.00 -1.23 0.00 0.00 66.70 65.73 3d6x h VAL 58 Cb 0.55 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 3d6x h VAL 58 CO -0.75 0.00 -0.43 -0.07 -1.23 0.00 0.00 177.57 175.10 3d6x h LEU 59 N 0.00 0.00 -0.35 4.19 3.38 -1.54 -2.19 115.31 118.80 3d6x h LEU 59 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3d6x h LEU 59 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3d6x h LEU 59 CO 0.00 0.43 0.14 0.40 0.09 0.00 0.00 178.44 179.49 3d6x h ILE 60 N 0.00 1.19 -0.84 1.22 2.04 -0.66 -0.91 117.51 119.54 3d6x h ILE 60 Ca -0.00 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.35 3d6x h ILE 60 Cb 0.90 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 3d6x h ILE 60 CO 0.06 0.20 0.51 -0.07 0.00 0.00 0.00 178.15 178.85 3d6x h LEU 61 N 0.41 0.77 -1.03 1.44 3.38 -1.28 -2.05 115.31 116.95 3d6x h LEU 61 Ca 0.12 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3d6x h LEU 61 Cb 0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3d6x h LEU 61 CO -0.01 0.48 0.17 -0.08 0.09 0.00 0.00 178.44 179.08 3d6x h GLU 62 N 0.90 0.86 -1.01 1.13 4.57 -0.97 -0.08 114.58 119.98 3d6x h GLU 62 Ca 0.38 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3d6x h GLU 62 Cb 0.25 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3d6x h GLU 62 CO -0.20 0.75 0.00 0.41 -1.18 0.00 0.00 179.01 178.79 3d6x n GLY 63 N -0.90 0.35 0.84 1.92 0.00 -0.38 -0.88 105.19 106.13 3d6x n GLY 63 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.65 0.00 -0.02 4.61 0.00 -0.04 -1.77 120.51 123.94 3d6x n ALA 65 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3d6x n ALA 65 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 0.72 -0.52 0.00 4.20 -1.27 0.15 115.11 118.39 3d6x h GLN 66 Ca 0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 3d6x h GLN 66 Cb 0.00 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3d6x h GLN 66 CO 0.00 1.14 0.23 1.15 -0.67 0.00 0.00 178.83 180.68 3d6x h THR 67 N 0.52 1.21 -0.25 -0.54 2.02 -1.61 -0.81 112.91 113.44 3d6x h THR 67 Ca -0.02 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3d6x h THR 67 Cb 1.27 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3d6x h THR 67 CO 0.13 0.24 0.12 1.23 0.37 0.00 0.00 175.52 177.61 3d6x h GLY 68 N 0.70 0.37 0.80 2.16 0.00 -1.78 -2.26 103.07 103.06 3d6x h GLY 68 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3d6x h GLY 68 CO -0.02 0.15 0.10 -1.33 0.00 0.00 0.00 176.54 175.44 3d6x h GLY 69 N 0.46 0.33 1.21 4.60 0.00 0.50 -0.56 103.07 109.60 3d6x h GLY 69 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3d6x h GLY 69 CO -0.01 0.04 -0.09 -0.39 0.00 0.00 0.00 176.54 176.08 3d6x h VAL 70 N 0.23 1.26 -0.31 4.60 -1.51 -0.92 0.44 116.25 120.05 3d6x h VAL 70 Ca 0.12 -1.21 0.03 0.00 -1.23 0.00 0.00 66.70 64.40 3d6x h VAL 70 Cb 0.07 0.97 -0.03 0.00 -2.13 0.00 0.00 31.29 30.17 3d6x h VAL 70 CO -0.11 0.43 0.11 0.25 -1.23 0.00 0.00 177.57 177.02 3d6x h LEU 71 N 0.84 0.13 0.29 4.19 5.85 -1.12 -0.43 115.31 125.06 3d6x h LEU 71 Ca 0.14 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3d6x h LEU 71 Cb 0.63 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3d6x h LEU 71 CO 0.04 0.11 -0.33 0.00 -0.34 0.00 0.00 178.44 177.93 3d6x h ALA 72 N 1.19 -0.68 -0.31 1.25 0.00 -0.51 -1.98 119.26 118.22 3d6x h ALA 72 Ca 0.14 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3d6x h ALA 72 Cb 0.10 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3d6x h ALA 72 CO -0.13 -0.92 0.26 0.74 0.00 0.00 0.00 179.25 179.20 3d6x h PHE 73 N -0.66 0.00 -0.07 0.00 0.05 -0.64 0.20 116.94 115.81 3d6x h PHE 73 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 3d6x h PHE 73 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.56 3d6x h PHE 73 CO -0.21 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 178.31 3d6x n GLU 74 N -4.15 1.56 -1.29 1.51 -0.58 -0.19 -5.04 120.64 112.46 3d6x n GLU 74 Ca 0.04 -0.83 0.04 0.00 -0.42 0.00 0.00 57.16 56.00 3d6x n GLU 74 Cb 0.42 -1.44 0.06 0.00 -0.57 0.00 0.00 31.44 29.91 3d6x n GLU 74 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3d6x n SER 75 N 0.02 1.11 -2.71 1.62 7.64 0.05 -4.91 113.62 116.44 3d6x n SER 75 Ca 0.18 -2.36 -0.04 0.00 1.01 0.00 0.00 58.87 57.66 3d6x n SER 75 Cb 0.30 -0.34 0.10 0.00 -1.01 0.00 0.00 64.21 63.26 3d6x n SER 75 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3d6x n LYS 83 N 0.17 1.35 -3.55 1.43 2.85 -1.26 -5.04 118.16 114.11 3d6x n LYS 83 Ca 0.08 -2.04 -0.39 0.00 -1.05 0.00 0.00 58.31 54.91 3d6x n LYS 83 Cb 1.05 -0.27 -0.05 0.00 -0.65 0.00 0.00 35.03 35.11 3d6x n LYS 83 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3d6x s SER 84 N -1.86 6.25 0.17 -5.58 0.15 -1.26 -5.02 113.70 106.55 3d6x s SER 84 Ca 0.18 -3.44 -0.21 0.00 0.70 0.00 0.00 55.95 53.18 3d6x s SER 84 Cb 0.41 -2.00 0.08 0.00 -1.71 0.00 0.00 66.02 62.80 3d6x s SER 84 CO -0.08 -0.28 1.02 2.29 1.20 0.00 0.00 173.24 177.39 3d6x n LYS 85 N 2.78 0.62 -4.35 5.44 2.85 -1.26 -5.13 118.16 119.11 3d6x n LYS 85 Ca 0.19 -1.42 -0.23 0.00 -1.05 0.00 0.00 58.31 55.80 3d6x n LYS 85 Cb 0.39 1.93 -0.13 0.00 -0.65 0.00 0.00 35.03 36.57 3d6x n LYS 85 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3d6x s VAL 86 N -2.07 1.60 -0.42 0.58 1.01 -1.26 -4.90 120.40 114.94 3d6x s VAL 86 Ca 0.23 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 3d6x s VAL 86 Cb -0.03 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 35.02 3d6x s VAL 86 CO 0.05 -0.02 0.22 -0.69 0.00 0.00 0.00 175.10 174.66 3d6x s VAL 87 N -1.08 3.51 -0.27 2.92 1.01 -1.26 0.44 120.40 125.67 3d6x s VAL 87 Ca 0.05 -1.92 -0.12 0.00 0.00 0.00 0.00 61.98 59.99 3d6x s VAL 87 Cb -0.10 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3d6x s VAL 87 CO 0.03 -0.66 0.22 -0.47 0.00 0.00 0.00 175.10 174.22 3d6x s TYR 88 N 1.21 3.25 -0.40 5.22 5.04 -1.26 -5.02 117.35 125.38 3d6x s TYR 88 Ca 0.07 0.20 -0.23 0.00 -2.44 0.00 0.00 57.07 54.67 3d6x s TYR 88 Cb -0.23 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.70 3d6x s TYR 88 CO -0.03 -0.13 0.77 -0.06 -1.34 0.00 0.00 175.55 174.77 3d6x s PHE 89 N 1.68 3.06 -1.16 4.97 0.08 -1.26 -4.39 117.98 120.94 3d6x s PHE 89 Ca 0.09 0.36 0.20 0.00 0.12 0.00 0.00 56.93 57.69 3d6x s PHE 89 Cb -0.15 -3.51 -0.17 0.00 -0.57 0.00 0.00 43.02 38.62 3d6x s PHE 89 CO 0.10 -0.85 0.89 0.25 -0.10 0.00 0.00 175.22 175.51 3d6x n THR 90 N 5.95 0.00 -3.67 0.64 -2.24 -0.51 -4.98 114.28 109.47 3d6x n THR 90 Ca 0.02 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 3d6x n THR 90 Cb 0.48 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.76 -0.38 -0.01 3.38 0.00 -1.15 -5.00 107.32 101.39 3d6x s GLY 91 Ca 0.10 1.18 0.02 0.00 0.00 0.00 0.00 44.72 46.02 3d6x s GLY 91 CO 0.75 0.94 -0.06 -0.42 0.00 0.00 0.00 173.10 174.31 3d6x s ILE 92 N -0.44 0.54 0.02 0.90 1.01 -1.26 -0.47 121.20 121.50 3d6x s ILE 92 Ca -0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 3d6x s ILE 92 Cb -0.03 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 3d6x s ILE 92 CO 0.04 0.17 0.05 -0.62 0.00 0.00 0.00 174.94 174.58 3d6x s ASP 93 N 0.06 0.17 -1.57 3.58 3.68 -0.13 -4.87 116.67 117.60 3d6x s ASP 93 Ca -0.00 -0.43 -0.13 0.00 2.13 0.00 0.00 52.55 54.11 3d6x s ASP 93 Cb -0.05 0.16 0.10 0.00 -1.45 0.00 0.00 42.92 41.68 3d6x s ASP 93 CO -0.00 -0.38 0.86 0.61 0.13 0.00 0.00 175.17 176.39 3d6x n GLY 94 N 1.32 -0.44 3.72 2.66 0.00 -1.26 -0.80 105.19 110.38 3d6x n GLY 94 Ca -0.22 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.37 3.19 -0.02 4.61 0.00 -1.25 -4.15 121.76 120.77 3d6x s ALA 95 Ca 0.59 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.12 3d6x s ALA 95 Cb -0.31 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3d6x s ALA 95 CO 0.87 -0.17 -0.05 0.15 0.00 0.00 0.00 175.76 176.55 3d6x s LYS 96 N 0.71 0.58 -0.14 0.00 1.02 0.14 -4.98 119.74 117.08 3d6x s LYS 96 Ca 0.51 -0.17 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 3d6x s LYS 96 Cb -0.22 -0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 3d6x s LYS 96 CO 0.29 0.06 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.66 3d6x s PHE 97 N 0.22 2.98 0.00 3.18 0.40 -1.26 -1.47 117.98 122.03 3d6x s PHE 97 Ca -0.02 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3d6x s PHE 97 Cb -0.07 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.56 3d6x s PHE 97 CO -0.00 -0.00 0.00 0.54 0.70 0.00 0.00 175.22 176.46 3d6x n ARG 98 N 3.33 0.00 -4.41 0.44 5.12 0.22 -4.98 116.66 116.37 3d6x n ARG 98 Ca -0.18 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.50 3d6x n ARG 98 Cb 0.53 -0.26 -0.11 0.00 -1.16 0.00 0.00 32.46 31.45 3d6x n ARG 98 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3d6x s ASN 99 N -2.73 3.28 0.58 0.55 0.01 -1.23 -5.05 114.94 110.36 3d6x s ASN 99 Ca 0.00 -0.91 -0.20 0.00 -0.71 0.00 0.00 52.86 51.04 3d6x s ASN 99 Cb 0.00 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 3d6x s ASN 99 CO 0.00 0.06 1.25 -2.16 -1.51 0.00 0.00 177.10 174.74 3d6x s PRO 100 N -2.93 2.98 -0.12 -0.60 0.04 -1.26 -4.82 135.00 128.29 3d6x s PRO 100 Ca 0.22 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 3d6x s PRO 100 Cb -0.06 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3d6x s PRO 100 CO 0.10 -1.23 -0.03 0.08 0.04 0.00 0.00 177.00 175.95 3d6x s VAL 101 N -1.49 3.96 0.20 -0.36 1.01 -1.26 -5.03 120.40 117.42 3d6x s VAL 101 Ca 0.76 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.46 3d6x s VAL 101 Cb -0.34 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3d6x s VAL 101 CO 0.37 0.54 -0.14 -0.13 0.00 0.00 0.00 175.10 175.75 3d6x s ARG 102 N -0.22 1.31 0.23 2.72 1.81 -1.26 -0.96 118.95 122.58 3d6x s ARG 102 Ca 0.04 -1.57 -0.31 0.00 -1.72 0.00 0.00 55.73 52.17 3d6x s ARG 102 Cb -0.13 -1.08 -0.14 0.00 -0.45 0.00 0.00 34.95 33.15 3d6x s ARG 102 CO 0.02 0.18 1.21 -2.30 -0.68 0.00 0.00 175.30 173.73 3d6x n PRO 103 N -0.35 1.53 0.00 3.54 -0.02 -1.26 -1.45 135.00 136.99 3d6x n PRO 103 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3d6x n PRO 103 Cb 0.60 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.78 3.01 3.76 -1.23 0.00 0.64 -4.93 105.19 108.22 3d6x n GLY 104 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.27 7.54 -0.31 1.61 -0.00 -0.53 -4.89 116.67 118.82 3d6x s ASP 105 Ca 0.00 1.91 -0.19 0.00 -0.00 0.00 0.00 52.55 54.27 3d6x s ASP 105 Cb 0.00 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.31 3d6x s ASP 105 CO 0.00 0.08 0.57 -0.60 -0.00 0.00 0.00 175.17 175.21 3d6x s ARG 106 N -1.49 3.85 -0.54 8.23 3.52 -1.26 -1.45 118.95 129.81 3d6x s ARG 106 Ca 0.44 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.99 3d6x s ARG 106 Cb -0.23 -3.74 0.06 0.00 -1.56 0.00 0.00 34.95 29.48 3d6x s ARG 106 CO 0.29 -0.55 0.75 -1.17 -0.81 0.00 0.00 175.30 173.82 3d6x s LEU 107 N 2.48 4.73 -0.14 -0.88 2.96 -0.21 -4.43 118.68 123.19 3d6x s LEU 107 Ca 0.22 -0.84 -0.21 0.00 -0.22 0.00 0.00 54.13 53.09 3d6x s LEU 107 Cb -0.15 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 3d6x s LEU 107 CO 0.12 -1.06 0.60 -1.81 -1.32 0.00 0.00 176.35 172.87 3d6x s ASP 108 N 2.95 6.76 -0.10 3.68 1.01 0.14 -1.51 116.67 129.59 3d6x s ASP 108 Ca 0.19 0.91 -0.05 0.00 0.71 0.00 0.00 52.55 54.31 3d6x s ASP 108 Cb -0.18 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3d6x s ASP 108 CO 0.13 -0.15 0.11 -0.31 0.21 0.00 0.00 175.17 175.16 3d6x s TYR 109 N 1.23 3.49 0.32 4.23 1.51 0.14 -0.05 117.35 128.21 3d6x s TYR 109 Ca 0.30 0.43 0.03 0.00 -1.01 0.00 0.00 57.07 56.82 3d6x s TYR 109 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3d6x s TYR 109 CO 0.12 0.67 0.14 -1.21 -1.11 0.00 0.00 175.55 174.16 3d6x s GLU 110 N -1.10 1.63 -0.29 -0.62 2.02 0.71 -2.40 118.70 118.65 3d6x s GLU 110 Ca 0.16 -1.93 -0.27 0.00 0.02 0.00 0.00 54.97 52.94 3d6x s GLU 110 Cb -0.12 -0.28 0.19 0.00 0.10 0.00 0.00 34.13 34.02 3d6x s GLU 110 CO 0.05 -0.41 1.41 -1.12 0.02 0.00 0.00 175.26 175.22 3d6x s SER 112 N -3.42 -0.03 -0.25 -0.19 0.01 -0.06 -1.04 113.70 108.73 3d6x s SER 112 Ca 0.34 0.05 -0.27 0.00 1.31 0.00 0.00 55.95 57.38 3d6x s SER 112 Cb 0.05 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.33 3d6x s SER 112 CO 0.16 -0.02 0.95 -0.69 0.41 0.00 0.00 173.24 174.05 3d6x s VAL 113 N -0.52 4.73 -0.14 3.43 1.01 -0.09 -0.43 120.40 128.39 3d6x s VAL 113 Ca 0.08 1.77 -0.04 0.00 0.00 0.00 0.00 61.98 63.80 3d6x s VAL 113 Cb -0.03 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 3d6x s VAL 113 CO -0.12 -0.17 0.27 0.52 0.00 0.00 0.00 175.10 175.59 3d6x n VAL 114 N 5.36 1.72 -3.95 2.92 0.31 0.74 -4.90 118.33 120.53 3d6x n VAL 114 Ca 0.09 -0.65 -0.10 0.00 -0.01 0.00 0.00 64.34 63.67 3d6x n VAL 114 Cb 0.47 -1.62 -0.12 0.00 -0.91 0.00 0.00 33.84 31.66 3d6x n VAL 114 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3d6x s LYS 115 N -2.55 0.23 -0.06 5.55 -0.14 -1.10 -5.01 119.74 116.66 3d6x s LYS 115 Ca -0.24 -0.44 -0.02 0.00 -1.36 0.00 0.00 55.97 53.91 3d6x s LYS 115 Cb 0.07 0.08 0.04 0.00 -1.68 0.00 0.00 37.83 36.34 3d6x s LYS 115 CO 0.74 -0.04 0.10 1.21 -0.76 0.00 0.00 175.35 176.61 3d6x s ASN 116 N -1.06 0.80 -0.21 2.83 3.84 -1.26 -1.49 114.94 118.39 3d6x s ASN 116 Ca -0.12 0.19 -0.05 0.00 0.21 0.00 0.00 52.86 53.10 3d6x s ASN 116 Cb -0.07 0.05 0.07 0.00 -0.55 0.00 0.00 41.25 40.75 3d6x s ASN 116 CO -0.01 -0.23 0.11 -0.60 -2.79 0.00 0.00 177.10 173.58 3d6x s ARG 117 N 2.04 0.11 1.74 0.43 3.52 -1.26 -5.03 118.95 120.50 3d6x s ARG 117 Ca 0.02 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3d6x s ARG 117 Cb -0.12 -1.60 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 3d6x s ARG 117 CO -0.04 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.08 3d6x n GLY 118 N 5.27 1.97 2.66 8.12 0.00 -1.26 -4.77 105.19 117.18 3d6x n GLY 118 Ca -0.07 0.48 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 3d6x n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d6x n ASN 119 N 5.57 6.66 0.00 1.61 4.13 -1.26 -5.04 115.26 126.94 3d6x n ASN 119 Ca 0.00 -3.12 0.00 0.00 1.68 0.00 0.00 54.58 53.14 3d6x n ASN 119 Cb 0.00 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 36.82 3d6x n ASN 119 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3d6x n TRP 121 N 2.73 0.00 -4.43 3.10 7.02 -0.67 -1.92 117.44 123.27 3d6x n TRP 121 Ca 0.52 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.71 3d6x n TRP 121 Cb 0.30 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.02 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 -0.78 1.48 0.04 -0.99 1.01 -0.56 -0.44 121.20 120.95 3d6x s ILE 122 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.09 3d6x s ILE 122 Cb 0.00 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3d6x s ILE 122 CO 0.00 0.44 -0.18 -0.36 0.00 0.00 0.00 174.94 174.83 3d6x s PHE 123 N 1.01 2.55 -0.21 3.97 0.40 0.38 -0.19 117.98 125.90 3d6x s PHE 123 Ca -0.06 -0.26 -0.18 0.00 -0.60 0.00 0.00 56.93 55.83 3d6x s PHE 123 Cb -0.15 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 3d6x s PHE 123 CO -0.02 0.24 0.49 0.21 0.70 0.00 0.00 175.22 176.84 3d6x s LYS 124 N -1.39 4.16 0.00 0.44 2.20 0.43 -0.71 119.74 124.87 3d6x s LYS 124 Ca 0.14 0.34 0.07 0.00 -0.36 0.00 0.00 55.97 56.17 3d6x s LYS 124 Cb -0.10 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3d6x s LYS 124 CO 0.05 -0.17 -0.22 0.20 -0.36 0.00 0.00 175.35 174.85 3d6x s GLY 125 N 1.22 1.11 0.01 5.54 0.00 0.15 -0.88 107.32 114.48 3d6x s GLY 125 Ca 0.22 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 3d6x s GLY 125 CO 0.09 -0.86 -0.01 1.20 0.00 0.00 0.00 173.10 173.52 3d6x s GLN 126 N -0.72 0.20 -0.04 2.90 -0.21 -0.20 -1.41 119.66 120.18 3d6x s GLN 126 Ca 0.09 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.16 3d6x s GLN 126 Cb -0.09 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 3d6x s GLN 126 CO -0.00 -0.03 -0.22 0.00 -2.12 0.00 0.00 175.29 172.91 3d6x s ALA 127 N -0.90 1.91 0.15 6.09 0.00 -0.05 -0.21 121.76 128.75 3d6x s ALA 127 Ca -0.10 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.01 3d6x s ALA 127 Cb -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3d6x s ALA 127 CO -0.01 0.40 -0.19 -0.06 0.00 0.00 0.00 175.76 175.91 3d6x s PHE 128 N -0.26 1.81 -0.18 0.00 0.40 0.93 -0.19 117.98 120.48 3d6x s PHE 128 Ca 0.01 -0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 3d6x s PHE 128 Cb -0.11 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.56 3d6x s PHE 128 CO 0.02 0.31 0.00 0.08 0.70 0.00 0.00 175.22 176.32 3d6x s VAL 129 N -1.91 0.77 -1.44 -0.44 1.01 -0.61 0.23 120.40 118.00 3d6x s VAL 129 Ca 0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3d6x s VAL 129 Cb -0.06 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.21 3d6x s VAL 129 CO 0.06 -0.09 1.01 0.47 0.00 0.00 0.00 175.10 176.55 3d6x n ASP 130 N 4.97 -5.76 0.00 3.32 9.92 -1.26 -1.90 116.55 125.84 3d6x n ASP 130 Ca -0.10 -0.57 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 3d6x n ASP 130 Cb 0.47 -4.57 0.00 0.00 -0.64 0.00 0.00 41.12 36.38 3d6x n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d6x n GLY 131 N -1.81 0.53 3.59 0.44 0.00 -1.26 -5.01 105.19 101.66 3d6x n GLY 131 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.23 6.09 0.12 1.61 0.02 -0.80 -5.05 114.94 114.69 3d6x s ASN 132 Ca 0.00 0.03 -0.34 0.00 -1.02 0.00 0.00 52.86 51.54 3d6x s ASN 132 Cb 0.00 -2.15 -0.13 0.00 0.02 0.00 0.00 41.25 38.99 3d6x s ASN 132 CO 0.00 -0.11 1.67 -0.11 0.02 0.00 0.00 177.10 178.56 3d6x n LEU 133 N 5.15 3.31 -0.01 0.60 0.00 -1.26 -1.58 117.00 123.21 3d6x n LEU 133 Ca -0.12 1.05 -0.00 0.00 0.00 0.00 0.00 56.01 56.94 3d6x n LEU 133 Cb 0.51 -1.44 -0.01 0.00 0.00 0.00 0.00 43.42 42.49 3d6x n LEU 133 CO 0.35 -0.17 -0.54 1.33 0.00 0.00 0.00 177.39 178.36 3d6x n VAL 134 N 3.88 0.07 -3.73 1.96 0.24 0.74 -4.36 118.33 117.13 3d6x n VAL 134 Ca 0.18 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.31 3d6x n VAL 134 Cb 0.30 -0.72 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 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 -2.04 -0.79 0.05 2.33 0.00 -1.18 0.73 121.76 120.87 3d6x s ALA 135 Ca -0.01 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 3d6x s ALA 135 Cb 0.00 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.51 3d6x s ALA 135 CO 0.05 -0.43 0.54 -1.83 0.00 0.00 0.00 175.76 174.10 3d6x s GLU 136 N -2.52 1.07 -0.07 0.00 -1.05 -0.54 -0.87 118.70 114.72 3d6x s GLU 136 Ca -0.05 -0.21 -0.31 0.00 -0.15 0.00 0.00 54.97 54.24 3d6x s GLU 136 Cb -0.01 0.49 0.12 0.00 -0.44 0.00 0.00 34.13 34.29 3d6x s GLU 136 CO -0.03 -0.39 1.14 0.00 0.95 0.00 0.00 175.26 176.93 3d6x s ALA 137 N -2.47 -2.02 -0.21 -0.84 0.00 -0.50 -0.68 121.76 115.04 3d6x s ALA 137 Ca -0.05 1.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 3d6x s ALA 137 Cb -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 3d6x s ALA 137 CO -0.02 -0.79 0.02 -2.00 0.00 0.00 0.00 175.76 172.97 3d6x s GLU 138 N -2.66 3.66 -0.10 0.00 2.12 0.02 -0.67 118.70 121.08 3d6x s GLU 138 Ca 0.10 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3d6x s GLU 138 Cb 0.01 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3d6x s GLU 138 CO -0.04 0.00 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.07 3d6x s LEU 139 N 1.05 2.98 -0.13 2.70 1.43 0.11 -0.95 118.68 125.87 3d6x s LEU 139 Ca 0.03 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3d6x s LEU 139 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3d6x s LEU 139 CO 0.02 0.27 -0.00 -0.75 0.23 0.00 0.00 176.35 176.12 3d6x s LYS 140 N -0.28 3.47 0.00 1.70 2.20 0.38 -0.47 119.74 126.74 3d6x s LYS 140 Ca 0.03 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 3d6x s LYS 140 Cb -0.13 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 3d6x s LYS 140 CO 0.03 0.43 0.00 0.00 -0.36 0.00 0.00 175.35 175.44 3d6x n ALA 141 N 2.99 0.00 -3.07 3.13 0.00 0.41 -1.42 120.51 122.55 3d6x n ALA 141 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 3d6x n ALA 141 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 3d6x n ALA 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3d6x s ILE 143 N -0.63 0.01 0.00 0.00 1.01 -0.81 -1.67 121.20 119.12 3d6x s ILE 143 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3d6x s ILE 143 Cb 0.00 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.18 3d6x s ILE 143 CO 0.00 -0.06 0.05 0.52 0.00 0.00 0.00 174.94 175.45