#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 4.75 0.00 7.28 3.84 -1.26 -0.35 116.67 130.93 3d6x s ASP 3 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 52.55 51.44 3d6x s ASP 3 Cb 0.00 0.24 0.00 0.00 -1.38 0.00 0.00 42.92 41.78 3d6x s ASP 3 CO 0.00 -1.06 0.00 1.33 -0.00 0.00 0.00 175.17 175.44 3d6x n VAL 4 N -1.79 0.00 0.00 2.11 0.24 -1.22 -0.36 118.33 117.30 3d6x n VAL 4 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3d6x n VAL 4 Cb 0.63 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 -0.02 0.00 -0.21 7.34 6.02 -1.26 -1.04 117.38 128.21 3d6x n GLN 6 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 3d6x n GLN 6 Cb 0.00 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.38 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 0.70 0.00 5.09 2.04 -1.05 -0.85 117.51 123.44 3d6x h ILE 7 Ca 0.00 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3d6x h ILE 7 Cb 0.00 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3d6x h ILE 7 CO 0.00 0.07 -0.30 1.56 0.00 0.00 0.00 178.15 179.47 3d6x h GLN 8 N 0.36 0.00 0.00 2.37 4.20 -1.32 0.31 115.11 121.03 3d6x h GLN 8 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 3d6x h GLN 8 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3d6x h GLN 8 CO -0.36 0.30 0.00 -1.91 -0.67 0.00 0.00 178.83 176.20 3d6x n GLU 9 N -3.72 0.04 0.04 1.46 4.07 -0.35 -4.09 120.64 118.07 3d6x n GLU 9 Ca -0.01 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 3d6x n GLU 9 Cb 0.41 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 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 -1.68 0.85 -2.78 6.31 5.41 0.80 -5.05 119.36 123.21 3d6x n ILE 10 Ca 0.01 0.28 -0.33 0.00 1.00 0.00 0.00 62.75 63.71 3d6x n ILE 10 Cb 0.06 -1.54 -0.06 0.00 -0.71 0.00 0.00 39.64 37.39 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 -6.69 3.90 0.00 1.39 1.43 0.43 -4.99 118.68 114.15 3d6x s LEU 11 Ca 0.00 1.63 0.26 0.00 -1.03 0.00 0.00 54.13 54.98 3d6x s LEU 11 Cb 0.00 -4.49 0.66 0.00 0.03 0.00 0.00 46.19 42.40 3d6x s LEU 11 CO 0.00 -0.38 1.52 -0.81 0.23 0.00 0.00 176.35 176.90 3d6x n PRO 12 N -0.78 0.24 -1.66 1.29 -0.04 -1.26 -4.55 135.00 128.25 3d6x n PRO 12 Ca 0.07 -0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 3d6x n PRO 12 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.26 1.93 -4.29 0.54 8.25 -1.26 -5.02 115.22 114.10 3d6x n HIS 13 Ca 0.08 0.61 -0.15 0.00 -0.26 0.00 0.00 57.72 57.99 3d6x n HIS 13 Cb 0.33 -2.36 -0.10 0.00 1.12 0.00 0.00 29.99 28.98 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 -1.75 1.29 0.32 -0.41 1.81 -1.26 -4.80 118.95 114.14 3d6x s ARG 14 Ca 0.57 -1.66 -0.29 0.00 -1.72 0.00 0.00 55.73 52.63 3d6x s ARG 14 Cb -0.62 -0.32 -0.12 0.00 -0.45 0.00 0.00 34.95 33.44 3d6x s ARG 14 CO 0.61 -0.20 1.36 0.98 -0.68 0.00 0.00 175.30 177.38 3d6x n TYR 15 N -0.37 2.39 -0.83 -0.53 9.36 -1.26 0.30 117.16 126.21 3d6x n TYR 15 Ca -0.03 0.49 -0.20 0.00 3.32 0.00 0.00 57.90 61.47 3d6x n TYR 15 Cb 0.65 -2.45 0.13 0.00 -0.63 0.00 0.00 39.34 37.03 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 0.97 2.05 -0.87 2.98 -0.04 -1.26 -4.89 135.00 133.93 3d6x n PRO 16 Ca 0.06 -2.43 0.05 0.00 -0.04 0.00 0.00 63.50 61.14 3d6x n PRO 16 Cb 0.36 -1.95 0.12 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.75 0.00 -3.39 0.54 -0.00 0.15 -4.96 117.46 109.04 3d6x n PHE 17 Ca 0.48 -1.00 -0.44 0.00 -0.00 0.00 0.00 57.45 56.49 3d6x n PHE 17 Cb 1.30 -0.19 -0.08 0.00 -0.00 0.00 0.00 39.48 40.51 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 -1.84 5.58 -0.23 -2.13 2.96 -1.04 -4.59 118.68 117.39 3d6x s LEU 18 Ca 0.34 -1.29 0.14 0.00 -0.22 0.00 0.00 54.13 53.10 3d6x s LEU 18 Cb 0.35 -2.18 0.66 0.00 0.50 0.00 0.00 46.19 45.51 3d6x s LEU 18 CO -0.09 -0.63 1.60 0.18 -1.32 0.00 0.00 176.35 176.08 3d6x n LEU 19 N 5.21 4.89 -4.02 -0.68 4.77 -1.26 -4.87 117.00 121.04 3d6x n LEU 19 Ca -0.12 -3.10 -0.26 0.00 -0.03 0.00 0.00 56.01 52.50 3d6x n LEU 19 Cb 0.44 -0.63 -0.17 0.00 -2.33 0.00 0.00 43.42 40.73 3d6x n LEU 19 CO 0.47 0.73 -0.47 -0.69 -1.33 0.00 0.00 177.39 176.10 3d6x s VAL 20 N -2.88 1.22 -0.08 4.08 1.01 -1.26 -4.59 120.40 117.89 3d6x s VAL 20 Ca 0.49 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3d6x s VAL 20 Cb 0.39 -1.12 -0.24 0.00 0.00 0.00 0.00 36.38 35.41 3d6x s VAL 20 CO 0.11 0.38 0.51 0.47 0.00 0.00 0.00 175.10 176.57 3d6x n ASP 21 N 4.02 1.07 -3.62 3.32 8.00 0.20 -4.93 116.55 124.62 3d6x n ASP 21 Ca -0.21 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 3d6x n ASP 21 Cb 0.51 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.58 0.75 -0.28 -1.24 2.20 -1.09 -3.46 119.74 114.04 3d6x s LYS 22 Ca -0.10 0.74 -0.09 0.00 -0.36 0.00 0.00 55.97 56.17 3d6x s LYS 22 Cb 0.07 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 3d6x s LYS 22 CO 0.81 -0.12 0.13 0.42 -0.36 0.00 0.00 175.35 176.22 3d6x s ILE 23 N 0.06 4.65 -0.05 5.43 -1.09 0.52 -0.83 121.20 129.89 3d6x s ILE 23 Ca -0.00 -0.18 0.12 0.00 -2.23 0.00 0.00 60.65 58.36 3d6x s ILE 23 Cb -0.04 -3.25 -0.23 0.00 -1.58 0.00 0.00 42.46 37.35 3d6x s ILE 23 CO -0.00 0.22 0.64 0.35 -1.23 0.00 0.00 174.94 174.92 3d6x n THR 24 N 4.98 1.61 -3.72 2.92 -2.24 0.12 0.57 114.28 118.52 3d6x n THR 24 Ca -0.15 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.71 3d6x n THR 24 Cb 0.51 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.59 0.52 -0.24 -0.78 2.12 -0.77 -4.79 118.70 112.17 3d6x s GLU 25 Ca -0.05 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 3d6x s GLU 25 Cb 0.08 0.24 0.11 0.00 0.26 0.00 0.00 34.13 34.82 3d6x s GLU 25 CO 0.82 -0.07 0.25 -1.17 -0.54 0.00 0.00 175.26 174.56 3d6x s LEU 26 N 0.30 -0.14 -0.28 2.70 1.98 -1.26 0.23 118.68 122.20 3d6x s LEU 26 Ca -0.01 -0.42 -0.05 0.00 -2.89 0.00 0.00 54.13 50.77 3d6x s LEU 26 Cb -0.03 0.43 0.02 0.00 0.66 0.00 0.00 46.19 47.26 3d6x s LEU 26 CO -0.00 -0.35 0.03 -0.54 -1.89 0.00 0.00 176.35 173.60 3d6x s LYS 27 N 2.34 2.91 0.23 1.98 1.02 -0.29 -5.03 119.74 122.89 3d6x s LYS 27 Ca 0.08 -0.96 -0.31 0.00 0.02 0.00 0.00 55.97 54.80 3d6x s LYS 27 Cb -0.15 -3.23 -0.14 0.00 -0.52 0.00 0.00 37.83 33.78 3d6x s LYS 27 CO -0.20 -0.46 1.22 1.33 -0.92 0.00 0.00 175.35 176.31 3d6x n VAL 28 N 4.77 1.18 -1.24 3.17 0.24 -1.26 -1.56 118.33 123.63 3d6x n VAL 28 Ca -0.15 -0.30 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 3d6x n VAL 28 Cb 0.47 -1.12 -0.04 0.00 -1.47 0.00 0.00 33.84 31.69 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 1.59 -1.29 0.00 7.34 5.02 -1.26 -4.73 118.16 124.83 3d6x n LYS 29 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 3d6x n LYS 29 Cb 0.29 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 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 -1.33 0.00 -3.67 1.97 4.07 -0.60 -4.80 120.64 116.28 3d6x n GLU 30 Ca -0.08 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.88 3d6x n GLU 30 Cb 0.45 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.76 3d6x n GLU 30 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3d6x s VAL 31 N -0.68 0.05 -0.02 6.31 0.11 -0.86 -0.92 120.40 124.39 3d6x s VAL 31 Ca 0.00 -0.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.67 3d6x s VAL 31 Cb 0.00 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3d6x s VAL 31 CO 0.00 -0.21 0.03 0.54 -3.33 0.00 0.00 175.10 172.14 3d6x s VAL 32 N -1.88 -0.04 -0.09 2.04 0.11 -1.26 -1.14 120.40 118.15 3d6x s VAL 32 Ca -0.09 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 3d6x s VAL 32 Cb -0.02 -0.07 -0.00 0.00 -1.53 0.00 0.00 36.38 34.76 3d6x s VAL 32 CO 0.02 0.05 -0.24 -0.76 -3.33 0.00 0.00 175.10 170.85 3d6x s LEU 33 N 0.66 2.07 0.35 2.54 1.43 0.14 -4.43 118.68 121.43 3d6x s LEU 33 Ca -0.05 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 3d6x s LEU 33 Cb -0.08 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3d6x s LEU 33 CO -0.02 0.17 0.67 -0.83 0.23 0.00 0.00 176.35 176.57 3d6x s GLY 34 N 0.26 0.63 0.18 -3.19 0.00 -1.06 0.13 107.32 104.26 3d6x s GLY 34 Ca -0.16 -0.91 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 3d6x s GLY 34 CO 0.08 -0.49 0.39 -2.52 0.00 0.00 0.00 173.10 170.55 3d6x s TYR 35 N -2.82 0.16 -0.07 1.90 1.13 -0.01 0.15 117.35 117.79 3d6x s TYR 35 Ca 0.19 -0.52 0.03 0.00 -1.41 0.00 0.00 57.07 55.37 3d6x s TYR 35 Cb -0.04 0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.97 3d6x s TYR 35 CO 0.13 -0.80 -0.16 0.21 -2.51 0.00 0.00 175.55 172.42 3d6x s LYS 36 N -3.92 2.08 0.03 -3.49 2.36 -0.30 -0.63 119.74 115.87 3d6x s LYS 36 Ca 0.13 -0.57 -0.30 0.00 -2.55 0.00 0.00 55.97 52.68 3d6x s LYS 36 Cb 0.01 -1.67 -0.04 0.00 -1.05 0.00 0.00 37.83 35.08 3d6x s LYS 36 CO -0.02 0.10 1.03 -0.80 1.55 0.00 0.00 175.35 177.22 3d6x s ASN 37 N 0.48 7.31 -0.20 1.43 0.01 -1.26 -0.54 114.94 122.17 3d6x s ASN 37 Ca -0.14 1.76 -0.06 0.00 -0.71 0.00 0.00 52.86 53.70 3d6x s ASN 37 Cb -0.16 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.90 3d6x s ASN 37 CO 0.05 -0.30 0.04 -0.63 -1.51 0.00 0.00 177.10 174.75 3d6x s ILE 38 N 0.93 4.37 0.01 0.60 -1.09 -0.59 -4.95 121.20 120.49 3d6x s ILE 38 Ca 0.53 -0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.73 3d6x s ILE 38 Cb -0.23 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.66 3d6x s ILE 38 CO 0.29 0.43 0.08 -0.55 -1.23 0.00 0.00 174.94 173.95 3d6x s SER 39 N 0.81 0.12 0.00 3.58 0.15 -1.26 -0.39 113.70 116.72 3d6x s SER 39 Ca 0.02 -0.36 0.14 0.00 0.70 0.00 0.00 55.95 56.45 3d6x s SER 39 Cb -0.14 0.17 0.85 0.00 -1.71 0.00 0.00 66.02 65.20 3d6x s SER 39 CO 0.02 -0.37 1.30 2.30 1.20 0.00 0.00 173.24 177.69 3d6x n ILE 40 N 1.38 0.00 1.97 6.45 -6.64 -1.26 -1.49 119.36 119.77 3d6x n ILE 40 Ca -0.23 0.00 0.16 0.00 -1.77 0.00 0.00 62.75 60.91 3d6x n ILE 40 Cb 0.56 -0.59 0.93 0.00 -1.44 0.00 0.00 39.64 39.10 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 -0.88 0.00 -4.69 7.28 3.41 -1.26 -4.76 113.62 112.73 3d6x n SER 41 Ca 0.11 -0.99 -0.41 0.00 -0.26 0.00 0.00 58.87 57.31 3d6x n SER 41 Cb 0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.99 7.02 0.53 4.04 -1.08 -0.56 -4.95 116.67 119.68 3d6x s ASP 42 Ca 0.47 1.25 0.27 0.00 -0.52 0.00 0.00 52.55 54.02 3d6x s ASP 42 Cb 0.22 -2.46 1.41 0.00 -1.46 0.00 0.00 42.92 40.62 3d6x s ASP 42 CO 0.36 -0.32 1.95 1.12 0.52 0.00 0.00 175.17 178.81 3d6x h HIS 43 N 7.13 0.03 -0.55 -5.34 2.07 -1.89 -2.53 115.15 114.06 3d6x h HIS 43 Ca -0.33 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.25 3d6x h HIS 43 Cb 1.16 -0.01 -0.03 0.00 2.57 0.00 0.00 27.41 31.10 3d6x h HIS 43 CO 0.70 0.01 0.37 0.28 -3.07 0.00 0.00 177.93 176.21 3d6x h VAL 44 N 0.02 0.98 0.00 6.12 2.07 -1.95 -3.37 116.25 120.13 3d6x h VAL 44 Ca 0.32 -0.17 -0.41 0.00 0.82 0.00 0.00 66.70 67.26 3d6x h VAL 44 Cb 1.25 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3d6x h VAL 44 CO -0.01 0.09 2.49 0.49 0.02 0.00 0.00 177.57 180.65 3d6x n PHE 45 N -4.47 1.41 0.00 1.57 3.01 -0.96 -0.31 117.46 117.71 3d6x n PHE 45 Ca 0.08 -2.10 0.00 0.00 1.01 0.00 0.00 57.45 56.44 3d6x n PHE 45 Cb 0.25 -1.81 0.00 0.00 -0.01 0.00 0.00 39.48 37.91 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 3.54 0.00 2.36 1.37 0.00 -1.26 -3.99 105.19 107.21 3d6x n GLY 47 Ca 0.51 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.04 2.09 0.00 1.61 -0.00 0.58 -4.48 115.22 113.97 3d6x n HIS 48 Ca 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 57.72 55.06 3d6x n HIS 48 Cb 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 29.99 27.99 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 2.41 0.00 -1.62 1.57 0.99 -1.26 -2.94 117.46 116.61 3d6x n PHE 49 Ca 0.65 0.00 -0.63 0.00 -0.00 0.00 0.00 57.45 57.47 3d6x n PHE 49 Cb 0.36 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.75 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 0.00 0.00 -0.98 -1.08 -0.02 -1.26 -0.25 135.00 131.41 3d6x n PRO 50 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3d6x n PRO 50 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 3.56 0.26 2.69 -1.23 0.00 -1.26 -4.89 105.19 104.32 3d6x n GLY 51 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.44 -3.22 -2.34 1.61 -0.00 0.65 -5.12 115.22 104.36 3d6x n HIS 52 Ca 0.00 -1.80 -0.43 0.00 -0.00 0.00 0.00 57.72 55.49 3d6x n HIS 52 Cb 0.24 1.32 -0.02 0.00 -0.00 0.00 0.00 29.99 31.53 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 0.61 4.11 -0.10 1.57 0.04 -1.19 -4.34 135.00 135.71 3d6x s PRO 53 Ca 0.31 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3d6x s PRO 53 Cb 0.11 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.82 3d6x s PRO 53 CO -0.15 -0.87 -0.16 0.42 0.04 0.00 0.00 177.00 176.27 3d6x s ILE 54 N 3.93 1.54 -0.02 0.56 1.09 -1.15 -4.56 121.20 122.58 3d6x s ILE 54 Ca 0.59 -0.69 -0.30 0.00 -1.10 0.00 0.00 60.65 59.15 3d6x s ILE 54 Cb -0.22 -1.38 -0.06 0.00 -1.06 0.00 0.00 42.46 39.74 3d6x s ILE 54 CO 0.20 0.45 1.49 -0.47 -0.10 0.00 0.00 174.94 176.50 3d6x s TYR 55 N 0.76 2.56 0.21 3.97 6.14 0.38 -4.88 117.35 126.50 3d6x s TYR 55 Ca -0.11 0.60 -0.32 0.00 0.64 0.00 0.00 57.07 57.88 3d6x s TYR 55 Cb -0.16 -3.76 -0.12 0.00 0.42 0.00 0.00 41.96 38.34 3d6x s TYR 55 CO 0.02 -2.95 1.69 -2.30 0.64 0.00 0.00 175.55 172.64 3d6x n PRO 56 N 5.97 2.68 -0.24 4.97 -0.02 -1.26 -4.62 135.00 142.48 3d6x n PRO 56 Ca 0.15 0.96 0.04 0.00 -2.02 0.00 0.00 63.50 62.64 3d6x n PRO 56 Cb 0.43 -2.79 0.15 0.00 -0.02 0.00 0.00 33.50 31.27 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 6.38 0.86 2.00 -1.23 0.00 -1.99 -0.61 103.07 108.48 3d6x h GLY 57 Ca -0.44 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3d6x h GLY 57 CO 0.93 -0.25 -0.04 -0.39 0.00 0.00 0.00 176.54 176.79 3d6x h VAL 58 N 0.15 0.57 -0.01 4.60 -1.51 -2.01 0.96 116.25 119.00 3d6x h VAL 58 Ca 0.40 -0.15 -0.15 0.00 -1.23 0.00 0.00 66.70 65.56 3d6x h VAL 58 Cb 0.69 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 3d6x h VAL 58 CO -0.60 0.04 -0.69 -0.07 -1.23 0.00 0.00 177.57 175.02 3d6x h LEU 59 N 0.00 0.06 -0.29 4.19 3.38 -1.47 -2.28 115.31 118.90 3d6x h LEU 59 Ca -0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3d6x h LEU 59 Cb 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3d6x h LEU 59 CO 0.00 0.74 0.12 0.40 0.09 0.00 0.00 178.44 179.79 3d6x h ILE 60 N 0.03 0.95 -0.55 1.22 2.04 -0.70 -0.98 117.51 119.53 3d6x h ILE 60 Ca -0.01 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3d6x h ILE 60 Cb 1.23 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 3d6x h ILE 60 CO 0.09 0.05 0.18 -0.07 0.00 0.00 0.00 178.15 178.40 3d6x h LEU 61 N 0.26 0.14 -1.01 1.44 3.38 -1.22 -2.31 115.31 116.00 3d6x h LEU 61 Ca 0.13 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3d6x h LEU 61 Cb 0.07 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3d6x h LEU 61 CO -0.11 0.10 0.05 -0.08 0.09 0.00 0.00 178.44 178.49 3d6x h GLU 62 N 0.34 0.77 -1.05 1.13 4.57 -1.02 0.17 114.58 119.49 3d6x h GLU 62 Ca 0.27 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3d6x h GLU 62 Cb 0.33 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3d6x h GLU 62 CO -0.30 0.74 0.00 0.41 -1.18 0.00 0.00 179.01 178.68 3d6x n GLY 63 N -0.76 0.48 1.45 1.92 0.00 -0.41 -0.75 105.19 107.12 3d6x n GLY 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.63 0.00 -0.07 4.61 0.00 0.05 -1.97 120.51 123.76 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 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 0.83 -0.40 0.00 4.20 -1.21 -0.59 115.11 117.94 3d6x h GLN 66 Ca 0.00 -0.51 0.01 0.00 0.06 0.00 0.00 58.65 58.20 3d6x h GLN 66 Cb 0.00 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3d6x h GLN 66 CO 0.00 1.15 0.27 1.15 -0.67 0.00 0.00 178.83 180.72 3d6x h THR 67 N 0.65 1.10 -0.20 -0.54 2.02 -1.66 -0.87 112.91 113.41 3d6x h THR 67 Ca 0.02 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3d6x h THR 67 Cb 1.12 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3d6x h THR 67 CO 0.11 0.10 0.05 1.23 0.37 0.00 0.00 175.52 177.38 3d6x h GLY 68 N 0.54 0.30 0.77 2.16 0.00 -1.79 -2.17 103.07 102.88 3d6x h GLY 68 Ca 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3d6x h GLY 68 CO -0.04 0.13 0.12 -1.33 0.00 0.00 0.00 176.54 175.43 3d6x h GLY 69 N 0.47 0.40 0.99 4.60 0.00 0.30 0.17 103.07 110.00 3d6x h GLY 69 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3d6x h GLY 69 CO -0.00 0.05 0.10 -2.08 0.00 0.00 0.00 176.54 174.61 3d6x h VAL 70 N 0.27 1.05 -0.45 4.60 2.07 -0.79 0.78 116.25 123.78 3d6x h VAL 70 Ca 0.14 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3d6x h VAL 70 Cb 0.09 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3d6x h VAL 70 CO -0.13 0.04 0.13 0.25 0.02 0.00 0.00 177.57 177.89 3d6x h LEU 71 N 0.20 0.10 0.09 2.57 5.85 -1.15 0.18 115.31 123.16 3d6x h LEU 71 Ca 0.06 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3d6x h LEU 71 Cb -0.01 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3d6x h LEU 71 CO -0.01 0.09 -0.18 0.00 -0.34 0.00 0.00 178.44 178.00 3d6x h ALA 72 N 1.32 -0.29 -0.25 1.25 0.00 -0.38 -2.22 119.26 118.68 3d6x h ALA 72 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3d6x h ALA 72 Cb 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3d6x h ALA 72 CO -0.25 -0.70 0.11 0.74 0.00 0.00 0.00 179.25 179.15 3d6x h PHE 73 N -0.34 0.33 0.00 0.00 -1.00 -0.41 -2.32 116.94 113.19 3d6x h PHE 73 Ca 0.03 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3d6x h PHE 73 Cb 0.37 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.82 3d6x h PHE 73 CO -0.19 0.26 0.00 0.39 -1.61 0.00 0.00 178.31 177.16 3d6x n GLU 74 N -4.44 0.06 -2.87 1.51 -0.58 0.61 -4.73 120.64 110.19 3d6x n GLU 74 Ca 0.01 0.08 -0.44 0.00 -0.42 0.00 0.00 57.16 56.39 3d6x n GLU 74 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.47 5.50 -0.29 1.62 7.64 -0.88 -4.98 113.62 120.77 3d6x n SER 75 Ca 0.07 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.83 3d6x n SER 75 Cb 0.27 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 3d6x n SER 75 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d6x n GLU 77 N 3.62 0.00 0.00 1.43 -0.58 -1.26 -5.04 120.64 118.81 3d6x n GLU 77 Ca 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 3d6x n GLU 77 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3d6x n GLU 77 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3d6x n LYS 83 N -0.32 0.00 -3.53 3.49 5.02 -1.26 -5.31 118.16 116.25 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 0.30 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.22 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 -4.00 5.79 0.16 4.39 0.15 -1.26 -5.01 113.70 113.92 3d6x s SER 84 Ca 0.00 -1.55 -0.09 0.00 0.70 0.00 0.00 55.95 55.01 3d6x s SER 84 Cb 0.00 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 3d6x s SER 84 CO 0.00 -0.60 0.27 -0.54 1.20 0.00 0.00 173.24 173.57 3d6x s LYS 85 N 1.47 1.15 0.03 5.44 1.02 -1.26 -4.82 119.74 122.76 3d6x s LYS 85 Ca 0.04 -1.19 0.04 0.00 0.02 0.00 0.00 55.97 54.88 3d6x s LYS 85 Cb -0.24 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 3d6x s LYS 85 CO 0.03 -0.42 -0.05 0.08 -0.92 0.00 0.00 175.35 174.07 3d6x s VAL 86 N -3.97 3.74 -0.44 3.17 1.01 0.31 -4.96 120.40 119.27 3d6x s VAL 86 Ca 0.18 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3d6x s VAL 86 Cb 0.03 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.85 3d6x s VAL 86 CO 0.00 0.30 0.26 -0.69 0.00 0.00 0.00 175.10 174.97 3d6x s VAL 87 N -1.10 3.65 -0.27 2.92 1.01 -1.26 -1.67 120.40 123.67 3d6x s VAL 87 Ca 0.20 -1.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.05 3d6x s VAL 87 Cb -0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3d6x s VAL 87 CO 0.11 -0.73 0.44 -0.47 0.00 0.00 0.00 175.10 174.45 3d6x s TYR 88 N 1.21 3.25 -0.38 5.22 6.14 -1.26 -5.00 117.35 126.53 3d6x s TYR 88 Ca 0.07 0.47 -0.23 0.00 0.64 0.00 0.00 57.07 58.03 3d6x s TYR 88 Cb -0.24 -2.66 0.01 0.00 0.42 0.00 0.00 41.96 39.49 3d6x s TYR 88 CO -0.03 -0.28 0.77 -0.06 0.64 0.00 0.00 175.55 176.59 3d6x s PHE 89 N 2.19 3.10 -0.90 4.97 0.08 -1.26 -4.40 117.98 121.75 3d6x s PHE 89 Ca 0.18 0.48 0.17 0.00 0.12 0.00 0.00 56.93 57.88 3d6x s PHE 89 Cb -0.16 -3.43 -0.17 0.00 -0.57 0.00 0.00 43.02 38.70 3d6x s PHE 89 CO 0.10 -0.77 0.75 0.25 -0.10 0.00 0.00 175.22 175.45 3d6x n THR 90 N 5.83 0.00 -3.67 0.64 -2.24 -0.28 -4.98 114.28 109.59 3d6x n THR 90 Ca 0.03 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 3d6x n THR 90 Cb 0.48 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.56 -0.36 -0.02 3.38 0.00 -1.13 -5.00 107.32 101.62 3d6x s GLY 91 Ca 0.07 0.99 0.03 0.00 0.00 0.00 0.00 44.72 45.81 3d6x s GLY 91 CO 0.68 0.74 -0.09 -0.42 0.00 0.00 0.00 173.10 174.01 3d6x s ILE 92 N -0.78 0.77 0.04 0.90 1.01 -1.26 -0.52 121.20 121.36 3d6x s ILE 92 Ca -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 3d6x s ILE 92 Cb -0.03 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 3d6x s ILE 92 CO 0.05 0.24 0.03 -0.62 0.00 0.00 0.00 174.94 174.63 3d6x s ASP 93 N 0.13 0.30 -1.56 3.58 2.15 -0.01 -4.87 116.67 116.39 3d6x s ASP 93 Ca -0.02 -0.69 -0.10 0.00 0.43 0.00 0.00 52.55 52.17 3d6x s ASP 93 Cb -0.08 0.19 0.08 0.00 -0.30 0.00 0.00 42.92 42.82 3d6x s ASP 93 CO 0.00 -0.50 0.64 0.61 -0.17 0.00 0.00 175.17 175.75 3d6x n GLY 94 N 0.69 -0.35 3.69 2.66 0.00 -1.26 -0.64 105.19 109.99 3d6x n GLY 94 Ca -0.18 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.60 3.35 -0.01 4.61 0.00 -1.26 -4.15 121.76 120.71 3d6x s ALA 95 Ca 0.40 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3d6x s ALA 95 Cb -0.22 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3d6x s ALA 95 CO 0.90 -0.43 -0.06 0.21 0.00 0.00 0.00 175.76 176.38 3d6x s LYS 96 N 1.57 0.55 -0.15 0.00 2.20 0.57 -4.98 119.74 119.51 3d6x s LYS 96 Ca 0.46 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.84 3d6x s LYS 96 Cb -0.19 -0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 35.57 3d6x s LYS 96 CO 0.20 0.10 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.15 3d6x s PHE 97 N 0.03 2.94 -0.01 4.03 0.40 -1.26 -1.66 117.98 122.45 3d6x s PHE 97 Ca 0.00 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 3d6x s PHE 97 Cb -0.04 -1.94 -0.00 0.00 0.51 0.00 0.00 43.02 41.55 3d6x s PHE 97 CO -0.00 -0.17 -0.02 -2.13 0.70 0.00 0.00 175.22 173.60 3d6x n ARG 98 N 3.70 0.02 -4.39 0.44 0.63 0.18 -4.98 116.66 112.27 3d6x n ARG 98 Ca -0.18 0.01 -0.27 0.00 -0.92 0.00 0.00 57.85 56.50 3d6x n ARG 98 Cb 0.52 -0.48 -0.12 0.00 0.45 0.00 0.00 32.46 32.84 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 -4.23 3.20 0.61 6.15 0.01 -1.23 -5.06 114.94 114.39 3d6x s ASN 99 Ca -0.01 -0.81 -0.18 0.00 -0.71 0.00 0.00 52.86 51.14 3d6x s ASN 99 Cb 0.00 -0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.42 3d6x s ASN 99 CO 0.02 0.11 1.22 -2.84 -1.51 0.00 0.00 177.10 174.10 3d6x s PRO 100 N -2.41 2.88 -0.15 -0.60 0.02 -1.26 -4.83 135.00 128.65 3d6x s PRO 100 Ca 0.16 1.84 -0.03 0.00 0.02 0.00 0.00 61.00 63.00 3d6x s PRO 100 Cb -0.09 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3d6x s PRO 100 CO 0.08 -1.28 -0.06 0.08 -0.33 0.00 0.00 177.00 175.49 3d6x s VAL 101 N -1.60 3.74 0.17 3.83 1.01 -1.26 -5.03 120.40 121.24 3d6x s VAL 101 Ca 0.78 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.42 3d6x s VAL 101 Cb -0.31 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3d6x s VAL 101 CO 0.34 0.50 -0.16 -0.13 0.00 0.00 0.00 175.10 175.65 3d6x s ARG 102 N 0.32 1.23 0.18 2.72 0.52 -1.26 -0.47 118.95 122.19 3d6x s ARG 102 Ca -0.05 -1.42 -0.32 0.00 -0.52 0.00 0.00 55.73 53.43 3d6x s ARG 102 Cb -0.14 -1.18 -0.16 0.00 0.52 0.00 0.00 34.95 33.99 3d6x s ARG 102 CO 0.03 0.23 1.04 -2.30 0.02 0.00 0.00 175.30 174.32 3d6x n PRO 103 N 0.17 0.94 0.00 3.54 -0.02 -1.26 -1.21 135.00 137.16 3d6x n PRO 103 Ca -0.12 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3d6x n PRO 103 Cb 0.58 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.83 2.28 3.75 -1.23 0.00 0.48 -4.94 105.19 107.37 3d6x n GLY 104 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.42 7.54 -0.32 1.61 -0.00 -0.35 -4.90 116.67 118.84 3d6x s ASP 105 Ca 0.00 2.03 -0.20 0.00 -0.00 0.00 0.00 52.55 54.38 3d6x s ASP 105 Cb 0.00 -2.61 -0.01 0.00 -0.00 0.00 0.00 42.92 40.30 3d6x s ASP 105 CO 0.00 0.08 0.59 -0.60 -0.00 0.00 0.00 175.17 175.24 3d6x s ARG 106 N -1.27 3.81 -0.56 8.23 3.52 -1.26 -1.54 118.95 129.88 3d6x s ARG 106 Ca 0.42 0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.94 3d6x s ARG 106 Cb -0.27 -3.76 0.05 0.00 -1.56 0.00 0.00 34.95 29.41 3d6x s ARG 106 CO 0.34 -0.60 0.84 -1.17 -0.81 0.00 0.00 175.30 173.90 3d6x s LEU 107 N 2.56 4.46 -0.19 -0.88 2.96 0.30 -4.44 118.68 123.45 3d6x s LEU 107 Ca 0.23 -0.67 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 3d6x s LEU 107 Cb -0.15 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3d6x s LEU 107 CO 0.13 -1.15 0.75 -1.81 -1.32 0.00 0.00 176.35 172.94 3d6x s ASP 108 N 2.96 6.83 -0.11 3.68 1.01 0.95 -1.14 116.67 130.84 3d6x s ASP 108 Ca 0.24 1.01 -0.08 0.00 0.71 0.00 0.00 52.55 54.43 3d6x s ASP 108 Cb -0.16 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3d6x s ASP 108 CO 0.15 -0.36 0.17 -0.31 0.21 0.00 0.00 175.17 175.03 3d6x s TYR 109 N 2.15 3.60 0.30 4.23 1.51 0.12 0.01 117.35 129.27 3d6x s TYR 109 Ca 0.34 0.57 0.03 0.00 -1.01 0.00 0.00 57.07 56.99 3d6x s TYR 109 Cb -0.16 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 3d6x s TYR 109 CO 0.11 0.70 0.14 -1.21 -1.11 0.00 0.00 175.55 174.17 3d6x s GLU 110 N -0.93 1.56 -0.28 -0.62 2.02 0.20 -2.55 118.70 118.10 3d6x s GLU 110 Ca 0.16 -1.88 -0.28 0.00 0.02 0.00 0.00 54.97 52.99 3d6x s GLU 110 Cb -0.12 -0.18 0.18 0.00 0.10 0.00 0.00 34.13 34.11 3d6x s GLU 110 CO 0.05 -0.41 1.35 -1.12 0.02 0.00 0.00 175.26 175.15 3d6x s SER 112 N -3.37 -0.08 -0.27 -0.19 0.01 -0.06 -0.89 113.70 108.84 3d6x s SER 112 Ca 0.36 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.47 3d6x s SER 112 Cb 0.06 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.40 3d6x s SER 112 CO 0.16 -0.06 0.95 -0.69 0.41 0.00 0.00 173.24 174.01 3d6x s VAL 113 N -0.63 4.70 -0.16 3.43 1.01 -0.09 0.03 120.40 128.68 3d6x s VAL 113 Ca 0.07 1.68 0.08 0.00 0.00 0.00 0.00 61.98 63.82 3d6x s VAL 113 Cb -0.02 -4.26 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 3d6x s VAL 113 CO -0.10 -0.24 0.21 1.33 0.00 0.00 0.00 175.10 176.30 3d6x n VAL 114 N 5.48 1.55 -3.99 2.92 0.24 0.10 -4.90 118.33 119.74 3d6x n VAL 114 Ca 0.09 -0.73 -0.11 0.00 -2.04 0.00 0.00 64.34 61.54 3d6x n VAL 114 Cb 0.47 -1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 31.63 3d6x n VAL 114 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3d6x s LYS 115 N -2.54 0.29 -0.07 7.34 1.02 -1.06 -5.00 119.74 119.73 3d6x s LYS 115 Ca -0.17 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 3d6x s LYS 115 Cb 0.07 -0.05 0.04 0.00 -0.52 0.00 0.00 37.83 37.37 3d6x s LYS 115 CO 0.76 -0.00 0.07 1.21 -0.92 0.00 0.00 175.35 176.47 3d6x s ASN 116 N -1.02 1.39 -0.29 2.83 3.04 -1.26 -1.23 114.94 118.40 3d6x s ASN 116 Ca -0.09 -0.06 -0.03 0.00 0.04 0.00 0.00 52.86 52.72 3d6x s ASN 116 Cb -0.07 -0.16 0.10 0.00 -1.54 0.00 0.00 41.25 39.57 3d6x s ASN 116 CO -0.00 -0.27 0.11 -0.13 -3.04 0.00 0.00 177.10 173.77 3d6x s ARG 117 N 2.16 0.41 1.59 0.43 1.81 -1.26 -5.03 118.95 119.06 3d6x s ARG 117 Ca 0.04 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 3d6x s ARG 117 Cb -0.13 -1.55 0.00 0.00 -0.45 0.00 0.00 34.95 32.82 3d6x s ARG 117 CO -0.04 -0.97 0.00 0.41 -0.68 0.00 0.00 175.30 174.02 3d6x n GLY 118 N 5.09 2.05 2.91 -3.53 0.00 -1.26 -4.76 105.19 105.70 3d6x n GLY 118 Ca -0.05 0.46 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 5.11 5.70 0.00 1.61 6.94 -1.26 -5.06 115.26 128.29 3d6x n ASN 119 Ca 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.32 3d6x n ASN 119 Cb 0.00 -1.39 0.00 0.00 -2.36 0.00 0.00 39.78 36.03 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 2.74 0.00 -4.55 -2.53 7.02 -0.52 -2.05 117.44 117.54 3d6x n TRP 121 Ca 0.34 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.52 3d6x n TRP 121 Cb 0.35 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.94 1.73 -0.00 -0.99 -1.09 -0.37 -0.58 121.20 118.96 3d6x s ILE 122 Ca 0.00 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 3d6x s ILE 122 Cb 0.00 -1.56 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 3d6x s ILE 122 CO 0.00 0.49 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.71 3d6x s PHE 123 N 0.91 2.72 -0.20 3.97 0.40 0.39 0.01 117.98 126.19 3d6x s PHE 123 Ca -0.07 -0.15 -0.17 0.00 -0.60 0.00 0.00 56.93 55.94 3d6x s PHE 123 Cb -0.15 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 3d6x s PHE 123 CO -0.02 0.27 0.44 0.21 0.70 0.00 0.00 175.22 176.83 3d6x s LYS 124 N -1.20 4.19 0.00 0.44 2.20 0.10 -1.12 119.74 124.35 3d6x s LYS 124 Ca 0.14 0.28 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 3d6x s LYS 124 Cb -0.11 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3d6x s LYS 124 CO 0.04 -0.07 -0.26 0.20 -0.36 0.00 0.00 175.35 174.91 3d6x s GLY 125 N 1.06 1.33 0.01 5.54 0.00 0.15 -0.88 107.32 114.52 3d6x s GLY 125 Ca 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3d6x s GLY 125 CO 0.09 -1.00 -0.01 1.20 0.00 0.00 0.00 173.10 173.37 3d6x s GLN 126 N -0.83 0.11 0.00 2.90 -0.21 -0.07 -1.81 119.66 119.75 3d6x s GLN 126 Ca 0.11 -0.17 0.08 0.00 0.02 0.00 0.00 55.36 55.39 3d6x s GLN 126 Cb -0.10 -0.00 -0.02 0.00 1.00 0.00 0.00 33.01 33.89 3d6x s GLN 126 CO 0.00 -0.00 -0.24 0.00 -2.12 0.00 0.00 175.29 172.92 3d6x s ALA 127 N -0.39 2.04 0.12 6.09 0.00 0.36 -0.63 121.76 129.35 3d6x s ALA 127 Ca -0.04 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.90 3d6x s ALA 127 Cb -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3d6x s ALA 127 CO -0.00 0.49 -0.18 -0.06 0.00 0.00 0.00 175.76 176.01 3d6x s PHE 128 N -0.65 1.67 -0.16 0.00 0.40 0.10 -0.36 117.98 118.98 3d6x s PHE 128 Ca 0.10 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 55.94 3d6x s PHE 128 Cb -0.09 -0.89 0.05 0.00 0.51 0.00 0.00 43.02 42.60 3d6x s PHE 128 CO 0.00 0.21 0.03 0.08 0.70 0.00 0.00 175.22 176.24 3d6x s VAL 129 N -1.56 0.46 -1.45 -0.44 1.01 -0.57 -0.03 120.40 117.81 3d6x s VAL 129 Ca 0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 3d6x s VAL 129 Cb -0.08 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.48 3d6x s VAL 129 CO 0.04 -0.08 0.75 0.47 0.00 0.00 0.00 175.10 176.28 3d6x n ASP 130 N 5.09 -4.99 -0.01 3.32 9.92 -1.26 -1.74 116.55 126.88 3d6x n ASP 130 Ca -0.08 -0.50 -0.00 0.00 -0.53 0.00 0.00 54.79 53.68 3d6x n ASP 130 Cb 0.48 -4.03 -0.00 0.00 -0.64 0.00 0.00 41.12 36.93 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 -1.51 0.47 3.58 0.44 0.00 -1.26 -5.01 105.19 101.89 3d6x n GLY 131 Ca -0.02 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.05 5.86 0.07 1.61 0.01 -0.71 -5.06 114.94 114.68 3d6x s ASN 132 Ca 0.00 -0.02 -0.33 0.00 -0.71 0.00 0.00 52.86 51.80 3d6x s ASN 132 Cb 0.00 -2.08 -0.12 0.00 0.41 0.00 0.00 41.25 39.47 3d6x s ASN 132 CO 0.00 -0.02 1.80 -0.11 -1.51 0.00 0.00 177.10 177.26 3d6x n LEU 133 N 4.87 3.67 -0.02 0.60 7.94 -1.26 -1.51 117.00 131.29 3d6x n LEU 133 Ca -0.15 1.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.74 3d6x n LEU 133 Cb 0.52 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 3d6x n LEU 133 CO 0.33 0.01 -0.61 1.33 -1.11 0.00 0.00 177.39 177.34 3d6x n VAL 134 N 4.58 0.21 -3.58 1.96 0.24 0.52 -4.41 118.33 117.85 3d6x n VAL 134 Ca 0.19 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 3d6x n VAL 134 Cb 0.33 -0.56 -0.05 0.00 -1.47 0.00 0.00 33.84 32.10 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 -2.15 -1.25 0.02 2.33 0.00 -1.20 0.48 121.76 119.99 3d6x s ALA 135 Ca -0.02 0.42 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 3d6x s ALA 135 Cb 0.02 0.51 0.06 0.00 0.00 0.00 0.00 23.12 23.70 3d6x s ALA 135 CO 0.17 -0.56 0.55 -1.83 0.00 0.00 0.00 175.76 174.09 3d6x s GLU 136 N -2.91 1.02 -0.01 0.00 -1.05 -0.67 -0.48 118.70 114.61 3d6x s GLU 136 Ca -0.03 -0.10 -0.30 0.00 -0.15 0.00 0.00 54.97 54.40 3d6x s GLU 136 Cb -0.00 0.47 0.11 0.00 -0.44 0.00 0.00 34.13 34.27 3d6x s GLU 136 CO -0.05 -0.35 1.12 0.00 0.95 0.00 0.00 175.26 176.93 3d6x s ALA 137 N -2.04 -1.99 -0.24 -0.84 0.00 -0.75 -0.31 121.76 115.59 3d6x s ALA 137 Ca -0.07 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 3d6x s ALA 137 Cb -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 3d6x s ALA 137 CO 0.02 -0.89 0.11 -2.00 0.00 0.00 0.00 175.76 172.99 3d6x s GLU 138 N -2.75 3.84 -0.13 0.00 2.12 0.19 -0.67 118.70 121.29 3d6x s GLU 138 Ca 0.11 -0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 3d6x s GLU 138 Cb 0.01 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3d6x s GLU 138 CO -0.03 -0.06 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.03 3d6x s LEU 139 N 1.32 2.98 -0.22 2.70 2.01 -0.28 -0.83 118.68 126.36 3d6x s LEU 139 Ca 0.06 -0.21 -0.07 0.00 0.01 0.00 0.00 54.13 53.92 3d6x s LEU 139 Cb -0.15 -1.69 -0.03 0.00 0.01 0.00 0.00 46.19 44.33 3d6x s LEU 139 CO 0.05 0.19 0.06 -0.75 1.01 0.00 0.00 176.35 176.91 3d6x s LYS 140 N 0.21 3.77 0.03 1.70 2.36 0.32 -0.46 119.74 127.66 3d6x s LYS 140 Ca -0.05 -0.44 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 3d6x s LYS 140 Cb -0.15 -3.24 -0.00 0.00 -1.05 0.00 0.00 37.83 33.39 3d6x s LYS 140 CO 0.04 0.02 0.01 0.00 1.55 0.00 0.00 175.35 176.96 3d6x n ALA 141 N 4.30 0.03 0.00 3.13 0.00 0.26 -1.12 120.51 127.10 3d6x n ALA 141 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3d6x n ALA 141 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3d6x n ALA 141 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3d6x n ILE 143 N -0.06 0.00 -4.48 0.00 3.06 -0.87 -1.44 119.36 115.56 3d6x n ILE 143 Ca -0.01 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.01 3d6x n ILE 143 Cb 0.04 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.11 3d6x n ILE 143 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3d6x s VAL 144 N 0.00 1.52 -2.00 9.51 1.01 -0.67 -4.83 120.40 124.94 3d6x s VAL 144 Ca 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 61.98 60.04 3d6x s VAL 144 Cb 0.00 -2.72 0.29 0.00 0.00 0.00 0.00 36.38 33.94 3d6x s VAL 144 CO 0.00 -0.10 1.04 0.47 0.00 0.00 0.00 175.10 176.51