#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 1.15 -1.54 9.51 5.75 -1.26 -1.01 116.55 129.14 3d6x n ASP 3 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3d6x n ASP 3 Cb 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 3d6x n ASP 3 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3d6x n VAL 4 N -2.94 0.88 0.00 2.12 0.24 -1.24 -0.53 118.33 116.87 3d6x n VAL 4 Ca 0.16 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3d6x n VAL 4 Cb 0.57 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 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 1.47 0.00 -0.30 7.34 1.13 -1.26 -0.64 117.38 125.12 3d6x n GLN 6 Ca 0.00 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.08 3d6x n GLN 6 Cb 0.25 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.76 3d6x n GLN 6 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3d6x h ILE 7 N 0.00 0.99 0.00 5.09 2.04 -1.11 -2.03 117.51 122.48 3d6x h ILE 7 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3d6x h ILE 7 Cb 0.00 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 3d6x h ILE 7 CO 0.00 0.16 0.00 1.56 0.00 0.00 0.00 178.15 179.87 3d6x h GLN 8 N 0.89 0.00 0.00 2.37 4.20 -1.11 0.21 115.11 121.67 3d6x h GLN 8 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3d6x h GLN 8 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3d6x h GLN 8 CO -0.20 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 178.89 3d6x h GLU 9 N 0.00 0.00 0.00 1.46 4.39 -1.62 -3.37 114.58 115.44 3d6x h GLU 9 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3d6x h GLU 9 Cb 0.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3d6x h GLU 9 CO 0.00 0.00 -1.65 -0.89 -1.16 0.00 0.00 179.01 175.31 3d6x n ILE 10 N -3.06 1.26 -3.57 3.13 5.41 0.24 -4.98 119.36 117.80 3d6x n ILE 10 Ca 0.01 -0.11 -0.34 0.00 1.00 0.00 0.00 62.75 63.31 3d6x n ILE 10 Cb 0.31 -1.93 -0.05 0.00 -0.71 0.00 0.00 39.64 37.26 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 -7.35 4.31 0.00 1.39 1.43 0.48 -4.99 118.68 113.96 3d6x s LEU 11 Ca -0.27 0.77 0.29 0.00 -1.03 0.00 0.00 54.13 53.90 3d6x s LEU 11 Cb 0.08 -3.12 1.29 0.00 0.03 0.00 0.00 46.19 44.46 3d6x s LEU 11 CO 0.35 0.12 1.95 -0.81 0.23 0.00 0.00 176.35 178.19 3d6x n PRO 12 N 0.64 0.10 -1.73 1.29 -0.04 -1.26 -4.50 135.00 129.49 3d6x n PRO 12 Ca -0.06 -0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 3d6x n PRO 12 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.45 2.55 -4.30 0.54 8.25 -1.26 -5.03 115.22 114.52 3d6x n HIS 13 Ca 0.09 0.49 -0.16 0.00 -0.26 0.00 0.00 57.72 57.88 3d6x n HIS 13 Cb 0.32 -2.45 -0.10 0.00 1.12 0.00 0.00 29.99 28.87 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 -2.10 1.33 0.26 -0.41 1.81 -1.26 -4.80 118.95 113.79 3d6x s ARG 14 Ca 0.56 -1.70 -0.30 0.00 -1.72 0.00 0.00 55.73 52.58 3d6x s ARG 14 Cb -0.51 -0.32 -0.14 0.00 -0.45 0.00 0.00 34.95 33.54 3d6x s ARG 14 CO 0.61 -0.23 1.25 0.98 -0.68 0.00 0.00 175.30 177.24 3d6x n TYR 15 N -0.41 1.86 -0.65 -0.53 9.36 -1.26 0.41 117.16 125.94 3d6x n TYR 15 Ca -0.02 0.56 -0.18 0.00 3.32 0.00 0.00 57.90 61.58 3d6x n TYR 15 Cb 0.65 -2.37 0.13 0.00 -0.63 0.00 0.00 39.34 37.11 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 1.36 1.92 -1.56 2.98 -0.04 -1.26 -4.90 135.00 133.51 3d6x n PRO 16 Ca 0.10 -2.20 -0.01 0.00 -0.04 0.00 0.00 63.50 61.35 3d6x n PRO 16 Cb 0.32 -1.86 0.09 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.68 0.74 -3.47 0.54 -0.00 0.16 -4.97 117.46 109.78 3d6x n PHE 17 Ca 0.44 -1.44 -0.43 0.00 -0.00 0.00 0.00 57.45 56.02 3d6x n PHE 17 Cb 1.33 -0.23 -0.09 0.00 -0.00 0.00 0.00 39.48 40.48 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 -2.39 5.22 -0.20 -2.13 2.96 -0.85 -4.51 118.68 116.77 3d6x s LEU 18 Ca 0.37 -1.10 0.15 0.00 -0.22 0.00 0.00 54.13 53.34 3d6x s LEU 18 Cb 0.37 -2.13 0.67 0.00 0.50 0.00 0.00 46.19 45.60 3d6x s LEU 18 CO -0.08 -0.51 1.58 0.18 -1.32 0.00 0.00 176.35 176.20 3d6x n LEU 19 N 5.13 4.76 -4.01 -0.68 4.77 -1.26 -4.86 117.00 120.84 3d6x n LEU 19 Ca -0.12 -2.97 -0.26 0.00 -0.03 0.00 0.00 56.01 52.64 3d6x n LEU 19 Cb 0.45 -0.61 -0.17 0.00 -2.33 0.00 0.00 43.42 40.77 3d6x n LEU 19 CO 0.42 0.66 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.98 3d6x s VAL 20 N -2.78 1.25 -0.08 4.08 1.01 -1.26 -4.52 120.40 118.10 3d6x s VAL 20 Ca 0.48 -0.50 0.14 0.00 0.00 0.00 0.00 61.98 62.10 3d6x s VAL 20 Cb 0.38 -1.16 -0.23 0.00 0.00 0.00 0.00 36.38 35.37 3d6x s VAL 20 CO 0.12 0.39 0.58 0.47 0.00 0.00 0.00 175.10 176.66 3d6x n ASP 21 N 4.15 0.72 -3.59 3.32 8.00 0.42 -4.90 116.55 124.67 3d6x n ASP 21 Ca -0.20 0.34 -0.15 0.00 0.71 0.00 0.00 54.79 55.50 3d6x n ASP 21 Cb 0.51 0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.62 0.88 -0.27 -1.24 2.20 -1.06 -3.63 119.74 114.00 3d6x s LYS 22 Ca -0.05 0.70 -0.08 0.00 -0.36 0.00 0.00 55.97 56.18 3d6x s LYS 22 Cb 0.08 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.80 3d6x s LYS 22 CO 0.83 -0.17 0.09 0.42 -0.36 0.00 0.00 175.35 176.16 3d6x s ILE 23 N -0.19 4.39 -0.10 5.43 -1.09 -0.18 -0.77 121.20 128.69 3d6x s ILE 23 Ca -0.03 -0.26 0.15 0.00 -2.23 0.00 0.00 60.65 58.28 3d6x s ILE 23 Cb -0.03 -3.12 -0.17 0.00 -1.58 0.00 0.00 42.46 37.56 3d6x s ILE 23 CO 0.03 0.25 0.75 0.35 -1.23 0.00 0.00 174.94 175.09 3d6x n THR 24 N 4.94 1.33 -3.68 2.92 -2.24 0.12 -0.93 114.28 116.73 3d6x n THR 24 Ca -0.15 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.78 3d6x n THR 24 Cb 0.51 -0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.81 0.56 -0.24 -0.78 2.56 -0.79 -4.86 118.70 112.34 3d6x s GLU 25 Ca -0.04 0.84 -0.03 0.00 0.00 0.00 0.00 54.97 55.75 3d6x s GLU 25 Cb 0.08 0.17 0.11 0.00 2.00 0.00 0.00 34.13 36.50 3d6x s GLU 25 CO 0.82 -0.11 0.26 -1.17 -0.56 0.00 0.00 175.26 174.49 3d6x s LEU 26 N 0.87 -0.17 -0.33 2.70 1.98 -1.26 -0.05 118.68 122.42 3d6x s LEU 26 Ca -0.05 -0.44 -0.10 0.00 -2.89 0.00 0.00 54.13 50.65 3d6x s LEU 26 Cb -0.05 0.46 0.00 0.00 0.66 0.00 0.00 46.19 47.26 3d6x s LEU 26 CO -0.07 -0.35 0.17 -0.54 -1.89 0.00 0.00 176.35 173.67 3d6x s LYS 27 N 2.35 3.16 0.18 1.98 3.01 -0.31 -5.02 119.74 125.08 3d6x s LYS 27 Ca 0.08 -0.84 -0.33 0.00 -1.01 0.00 0.00 55.97 53.88 3d6x s LYS 27 Cb -0.15 -3.63 -0.15 0.00 -1.01 0.00 0.00 37.83 32.89 3d6x s LYS 27 CO -0.22 -0.51 1.22 1.33 0.51 0.00 0.00 175.35 177.68 3d6x n VAL 28 N 4.99 0.83 -1.04 3.17 0.24 -1.26 -1.63 118.33 123.62 3d6x n VAL 28 Ca -0.13 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 61.95 3d6x n VAL 28 Cb 0.48 -0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 31.90 3d6x n VAL 28 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3d6x n LYS 29 N 1.87 -1.03 0.03 7.34 3.00 -1.26 -4.73 118.16 123.37 3d6x n LYS 29 Ca 0.15 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 3d6x n LYS 29 Cb 0.25 -4.16 0.00 0.00 0.00 0.00 0.00 35.03 31.12 3d6x n LYS 29 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3d6x n GLU 30 N -1.09 0.00 -3.79 1.64 2.13 -0.65 -4.81 120.64 114.07 3d6x n GLU 30 Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 3d6x n GLU 30 Cb 0.28 -0.02 -0.09 0.00 0.27 0.00 0.00 31.44 31.88 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 -1.20 0.07 -0.02 6.31 0.11 -0.82 -0.95 120.40 123.89 3d6x s VAL 31 Ca 0.00 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3d6x s VAL 31 Cb 0.00 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3d6x s VAL 31 CO 0.00 -0.30 0.01 0.54 -3.33 0.00 0.00 175.10 172.03 3d6x s VAL 32 N -1.41 0.04 -0.12 2.04 0.11 -1.26 -1.16 120.40 118.63 3d6x s VAL 32 Ca -0.13 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 3d6x s VAL 32 Cb -0.06 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 3d6x s VAL 32 CO 0.03 0.09 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.99 3d6x s LEU 33 N 0.85 2.66 0.36 2.54 1.43 0.93 -4.41 118.68 123.04 3d6x s LEU 33 Ca -0.08 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 3d6x s LEU 33 Cb -0.11 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.56 3d6x s LEU 33 CO -0.02 0.18 0.68 -0.83 0.23 0.00 0.00 176.35 176.59 3d6x s GLY 34 N 0.23 0.68 0.14 -3.19 0.00 -1.06 0.12 107.32 104.25 3d6x s GLY 34 Ca -0.09 -0.96 -0.15 0.00 0.00 0.00 0.00 44.72 43.52 3d6x s GLY 34 CO 0.05 -0.51 0.39 -2.52 0.00 0.00 0.00 173.10 170.52 3d6x s TYR 35 N -2.69 -0.09 -0.04 1.90 1.13 0.05 0.51 117.35 118.12 3d6x s TYR 35 Ca 0.20 -0.25 0.05 0.00 -1.41 0.00 0.00 57.07 55.65 3d6x s TYR 35 Cb -0.04 0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 3d6x s TYR 35 CO 0.14 -0.74 -0.19 0.21 -2.51 0.00 0.00 175.55 172.46 3d6x s LYS 36 N -3.84 1.93 0.05 -3.49 2.20 -0.36 -0.43 119.74 115.80 3d6x s LYS 36 Ca 0.06 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 3d6x s LYS 36 Cb 0.02 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 3d6x s LYS 36 CO -0.09 0.29 1.08 -0.80 -0.36 0.00 0.00 175.35 175.47 3d6x s ASN 37 N -0.05 7.26 -0.21 1.43 0.01 -1.26 -0.70 114.94 121.41 3d6x s ASN 37 Ca -0.03 1.85 -0.07 0.00 -0.71 0.00 0.00 52.86 53.90 3d6x s ASN 37 Cb -0.12 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3d6x s ASN 37 CO 0.02 -0.32 0.07 -0.63 -1.51 0.00 0.00 177.10 174.73 3d6x s ILE 38 N 0.83 4.63 0.03 0.60 -1.09 -0.57 -4.95 121.20 120.68 3d6x s ILE 38 Ca 0.54 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.88 3d6x s ILE 38 Cb -0.25 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 3d6x s ILE 38 CO 0.29 0.40 -0.03 -0.55 -1.23 0.00 0.00 174.94 173.82 3d6x s SER 39 N 0.92 0.37 0.00 3.58 0.15 -1.26 -0.11 113.70 117.35 3d6x s SER 39 Ca 0.04 -0.67 0.15 0.00 0.70 0.00 0.00 55.95 56.17 3d6x s SER 39 Cb -0.14 0.13 0.78 0.00 -1.71 0.00 0.00 66.02 65.07 3d6x s SER 39 CO 0.03 -0.39 1.39 2.30 1.20 0.00 0.00 173.24 177.76 3d6x n ILE 40 N 1.10 0.47 1.50 6.45 -6.64 -1.26 -1.84 119.36 119.14 3d6x n ILE 40 Ca -0.21 0.12 0.13 0.00 -1.77 0.00 0.00 62.75 61.02 3d6x n ILE 40 Cb 0.57 -0.88 0.74 0.00 -1.44 0.00 0.00 39.64 38.63 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 -1.23 0.00 -4.68 7.28 3.41 -1.26 -4.73 113.62 112.41 3d6x n SER 41 Ca 0.08 -0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 57.70 3d6x n SER 41 Cb 0.10 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.21 7.20 0.62 4.04 -1.08 -0.76 -4.94 116.67 119.54 3d6x s ASP 42 Ca 0.34 1.48 0.35 0.00 -0.52 0.00 0.00 52.55 54.20 3d6x s ASP 42 Cb 0.18 -2.55 2.02 0.00 -1.46 0.00 0.00 42.92 41.11 3d6x s ASP 42 CO 0.34 -0.51 2.27 1.12 0.52 0.00 0.00 175.17 178.91 3d6x h HIS 43 N 7.20 0.00 -0.04 -5.34 2.07 -1.90 -2.56 115.15 114.58 3d6x h HIS 43 Ca -0.28 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.26 3d6x h HIS 43 Cb 1.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.10 3d6x h HIS 43 CO 0.72 0.00 0.03 -0.39 -3.07 0.00 0.00 177.93 175.23 3d6x h VAL 44 N 0.00 0.78 0.00 6.12 -1.51 -1.95 -3.36 116.25 116.32 3d6x h VAL 44 Ca 0.01 0.00 -0.47 0.00 -1.23 0.00 0.00 66.70 65.01 3d6x h VAL 44 Cb 0.07 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.21 3d6x h VAL 44 CO -0.00 0.00 2.59 0.49 -1.23 0.00 0.00 177.57 179.42 3d6x n PHE 45 N -4.23 1.56 0.00 5.19 3.01 -0.97 0.08 117.46 122.11 3d6x n PHE 45 Ca -0.02 -2.34 0.00 0.00 1.01 0.00 0.00 57.45 56.10 3d6x n PHE 45 Cb 0.13 -1.99 0.00 0.00 -0.01 0.00 0.00 39.48 37.61 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 3.43 0.00 2.36 1.37 0.00 -1.26 -4.23 105.19 106.86 3d6x n GLY 47 Ca 0.59 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.19 2.27 0.00 1.61 -0.00 0.11 -4.44 115.22 113.58 3d6x n HIS 48 Ca 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 57.72 54.88 3d6x n HIS 48 Cb 0.00 -2.15 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 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 2.73 0.00 -1.68 1.57 0.99 -1.26 -2.92 117.46 116.88 3d6x n PHE 49 Ca 0.69 0.00 -0.61 0.00 -0.00 0.00 0.00 57.45 57.53 3d6x n PHE 49 Cb 0.30 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.70 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 0.53 -0.96 -1.08 -0.02 -1.26 -0.40 135.00 131.80 3d6x n PRO 50 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3d6x n PRO 50 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.32 2.70 -1.23 0.00 -1.26 -4.89 105.19 104.39 3d6x n GLY 51 Ca 0.27 0.00 -0.09 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 -2.46 -3.15 -1.95 1.61 -0.00 0.47 -5.13 115.22 104.62 3d6x n HIS 52 Ca 0.00 -1.87 -0.42 0.00 -0.00 0.00 0.00 57.72 55.43 3d6x n HIS 52 Cb 0.19 1.37 -0.03 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 0.56 4.15 -0.05 1.57 0.04 -1.16 -4.32 135.00 135.79 3d6x s PRO 53 Ca 0.32 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.61 3d6x s PRO 53 Cb 0.18 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.72 3d6x s PRO 53 CO -0.21 -0.89 -0.03 0.42 0.04 0.00 0.00 177.00 176.33 3d6x s ILE 54 N 4.19 0.49 0.00 0.56 1.09 -1.15 -4.59 121.20 121.80 3d6x s ILE 54 Ca 0.76 -0.07 -0.30 0.00 -1.10 0.00 0.00 60.65 59.94 3d6x s ILE 54 Cb -0.35 -0.55 -0.06 0.00 -1.06 0.00 0.00 42.46 40.45 3d6x s ILE 54 CO 0.32 0.23 1.46 -0.47 -0.10 0.00 0.00 174.94 176.37 3d6x s TYR 55 N 1.11 2.72 0.11 3.97 6.14 -0.11 -4.86 117.35 126.42 3d6x s TYR 55 Ca -0.08 0.70 -0.31 0.00 0.64 0.00 0.00 57.07 58.02 3d6x s TYR 55 Cb -0.14 -3.73 -0.09 0.00 0.42 0.00 0.00 41.96 38.42 3d6x s TYR 55 CO -0.01 -2.76 1.72 -2.14 0.64 0.00 0.00 175.55 173.00 3d6x s PRO 56 N 2.57 4.17 0.28 4.97 0.02 -1.26 -4.62 135.00 141.13 3d6x s PRO 56 Ca 0.66 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 64.13 3d6x s PRO 56 Cb -0.33 -3.53 0.64 0.00 0.02 0.00 0.00 34.50 31.30 3d6x s PRO 56 CO 0.27 -0.77 1.62 0.78 -0.33 0.00 0.00 177.00 178.57 3d6x h GLY 57 N 8.32 1.16 1.45 0.52 0.00 -1.99 0.26 103.07 112.79 3d6x h GLY 57 Ca -0.44 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.03 3d6x h GLY 57 CO 0.94 -0.39 0.22 -0.39 0.00 0.00 0.00 176.54 176.92 3d6x h VAL 58 N 0.11 0.90 -0.13 4.60 -1.51 -2.01 0.05 116.25 118.27 3d6x h VAL 58 Ca 0.52 -0.04 -0.16 0.00 -1.23 0.00 0.00 66.70 65.79 3d6x h VAL 58 Cb 1.02 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 3d6x h VAL 58 CO -0.74 0.02 -0.59 -0.07 -1.23 0.00 0.00 177.57 174.96 3d6x h LEU 59 N 0.12 0.47 -0.33 4.19 3.38 -1.31 -2.38 115.31 119.44 3d6x h LEU 59 Ca 0.14 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3d6x h LEU 59 Cb 0.42 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3d6x h LEU 59 CO -0.02 0.95 -0.06 0.40 0.09 0.00 0.00 178.44 179.81 3d6x h ILE 60 N 0.31 0.69 -0.56 1.22 2.04 -0.91 0.81 117.51 121.11 3d6x h ILE 60 Ca -0.00 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.96 3d6x h ILE 60 Cb 1.12 0.66 -0.10 0.00 -0.74 0.00 0.00 36.82 37.77 3d6x h ILE 60 CO 0.10 0.01 -0.02 -0.07 0.00 0.00 0.00 178.15 178.17 3d6x h LEU 61 N 0.03 -0.29 -1.19 1.44 3.38 -1.31 -1.76 115.31 115.61 3d6x h LEU 61 Ca 0.16 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3d6x h LEU 61 Cb 0.24 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3d6x h LEU 61 CO -0.32 -0.11 0.17 -0.08 0.09 0.00 0.00 178.44 178.19 3d6x h GLU 62 N 0.10 0.73 -1.17 1.13 4.57 -0.76 0.85 114.58 120.03 3d6x h GLU 62 Ca 0.29 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3d6x h GLU 62 Cb 0.45 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3d6x h GLU 62 CO -0.49 0.63 0.00 0.41 -1.18 0.00 0.00 179.01 178.38 3d6x n GLY 63 N -1.03 0.64 1.22 1.92 0.00 0.18 -0.98 105.19 107.14 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 0.64 0.00 -0.05 4.61 0.00 0.29 -1.67 120.51 124.33 3d6x n ALA 65 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3d6x n ALA 65 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 0.84 -0.45 0.00 4.20 -1.32 -0.28 115.11 118.11 3d6x h GLN 66 Ca 0.00 -0.60 0.05 0.00 0.06 0.00 0.00 58.65 58.16 3d6x h GLN 66 Cb 0.00 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 3d6x h GLN 66 CO 0.00 1.23 0.18 1.15 -0.67 0.00 0.00 178.83 180.72 3d6x h THR 67 N 0.60 0.89 -0.11 -0.54 2.02 -1.59 -1.21 112.91 112.98 3d6x h THR 67 Ca -0.02 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3d6x h THR 67 Cb 1.28 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3d6x h THR 67 CO 0.14 0.07 -0.09 1.23 0.37 0.00 0.00 175.52 177.23 3d6x h GLY 68 N 0.37 0.18 0.86 2.16 0.00 -1.76 -1.94 103.07 102.93 3d6x h GLY 68 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.46 3d6x h GLY 68 CO -0.19 0.09 0.22 -1.33 0.00 0.00 0.00 176.54 175.34 3d6x h GLY 69 N 0.58 0.56 0.94 4.60 0.00 0.15 -0.18 103.07 109.72 3d6x h GLY 69 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3d6x h GLY 69 CO 0.01 0.13 0.15 -2.08 0.00 0.00 0.00 176.54 174.76 3d6x h VAL 70 N 0.45 1.15 -0.36 4.60 2.07 -0.77 0.59 116.25 123.97 3d6x h VAL 70 Ca 0.16 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3d6x h VAL 70 Cb 0.04 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3d6x h VAL 70 CO -0.09 0.15 0.11 0.25 0.02 0.00 0.00 177.57 178.01 3d6x h LEU 71 N 0.36 0.10 0.22 2.57 5.85 -1.19 0.15 115.31 123.36 3d6x h LEU 71 Ca 0.10 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3d6x h LEU 71 Cb 0.11 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3d6x h LEU 71 CO -0.01 0.09 -0.32 0.00 -0.34 0.00 0.00 178.44 177.86 3d6x h ALA 72 N 1.25 -0.62 -0.94 1.25 0.00 -0.33 -2.76 119.26 117.10 3d6x h ALA 72 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3d6x h ALA 72 Cb 0.16 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3d6x h ALA 72 CO -0.19 -0.90 0.62 0.74 0.00 0.00 0.00 179.25 179.53 3d6x h PHE 73 N -0.61 1.18 -0.31 0.00 -1.00 -0.66 -2.63 116.94 112.91 3d6x h PHE 73 Ca 0.01 0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.65 3d6x h PHE 73 Cb 0.60 -0.40 -0.09 0.00 3.61 0.00 0.00 35.95 39.66 3d6x h PHE 73 CO -0.24 0.73 0.21 0.39 -1.61 0.00 0.00 178.31 177.79 3d6x n GLU 74 N -4.44 1.40 -3.46 1.51 -0.58 0.49 -4.66 120.64 110.90 3d6x n GLU 74 Ca 0.11 -0.93 -0.28 0.00 -0.42 0.00 0.00 57.16 55.64 3d6x n GLU 74 Cb 0.03 -1.37 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 3d6x n GLU 74 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3d6x s SER 75 N 0.34 2.03 0.00 1.62 0.01 -0.99 -4.89 113.70 111.81 3d6x s SER 75 Ca 0.18 -2.96 0.26 0.00 1.31 0.00 0.00 55.95 54.74 3d6x s SER 75 Cb 0.15 -0.54 0.63 0.00 0.21 0.00 0.00 66.02 66.47 3d6x s SER 75 CO 0.03 -0.19 1.50 1.21 0.41 0.00 0.00 173.24 176.20 3d6x n GLU 77 N 3.01 1.55 0.00 12.44 4.07 -1.26 -4.94 120.64 135.52 3d6x n GLU 77 Ca 0.25 -1.07 0.00 0.00 -0.06 0.00 0.00 57.16 56.28 3d6x n GLU 77 Cb 0.45 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 3d6x n GLU 77 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3d6x n LYS 83 N 0.21 0.00 -3.51 5.31 2.85 -1.26 -5.33 118.16 116.43 3d6x n LYS 83 Ca 0.15 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.99 3d6x n LYS 83 Cb 0.43 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.75 3d6x n LYS 83 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3d6x s SER 84 N -4.00 6.14 0.29 -5.58 0.01 -1.26 -4.94 113.70 104.36 3d6x s SER 84 Ca 0.00 -2.91 0.01 0.00 1.31 0.00 0.00 55.95 54.36 3d6x s SER 84 Cb 0.00 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 3d6x s SER 84 CO 0.00 -0.44 0.04 0.29 0.41 0.00 0.00 173.24 173.54 3d6x n LYS 85 N 3.55 1.02 -4.22 12.44 4.76 -1.26 -5.05 118.16 129.40 3d6x n LYS 85 Ca 0.13 -2.22 -0.19 0.00 -2.87 0.00 0.00 58.31 53.16 3d6x n LYS 85 Cb 0.42 0.85 -0.12 0.00 -1.84 0.00 0.00 35.03 34.34 3d6x n LYS 85 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d6x s VAL 86 N -2.29 1.27 -0.36 -0.18 0.11 -1.26 -4.91 120.40 112.78 3d6x s VAL 86 Ca 0.05 -1.55 -0.04 0.00 -2.93 0.00 0.00 61.98 57.52 3d6x s VAL 86 Cb 0.00 -1.36 0.07 0.00 -1.53 0.00 0.00 36.38 33.57 3d6x s VAL 86 CO 0.04 -0.32 0.13 -0.69 -3.33 0.00 0.00 175.10 170.93 3d6x s VAL 87 N -1.74 3.42 -0.25 2.04 1.01 -1.26 -2.50 120.40 121.12 3d6x s VAL 87 Ca 0.05 -1.56 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 3d6x s VAL 87 Cb -0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3d6x s VAL 87 CO 0.03 -0.37 0.13 -0.47 0.00 0.00 0.00 175.10 174.41 3d6x s TYR 88 N 1.27 3.18 -0.42 5.22 6.04 -1.26 -5.02 117.35 126.36 3d6x s TYR 88 Ca 0.01 -0.09 -0.22 0.00 0.04 0.00 0.00 57.07 56.82 3d6x s TYR 88 Cb -0.21 -2.29 0.02 0.00 -1.04 0.00 0.00 41.96 38.44 3d6x s TYR 88 CO -0.01 -0.19 0.70 -0.06 -1.54 0.00 0.00 175.55 174.46 3d6x s PHE 89 N 1.50 3.06 -1.11 4.97 0.08 -1.26 -4.42 117.98 120.80 3d6x s PHE 89 Ca 0.06 0.15 0.22 0.00 0.12 0.00 0.00 56.93 57.48 3d6x s PHE 89 Cb -0.15 -3.42 -0.13 0.00 -0.57 0.00 0.00 43.02 38.75 3d6x s PHE 89 CO 0.07 -0.85 0.97 -2.37 -0.10 0.00 0.00 175.22 172.93 3d6x n THR 90 N 5.90 0.00 -3.62 0.64 5.66 -0.50 -4.97 114.28 117.38 3d6x n THR 90 Ca 0.00 -0.03 -0.16 0.00 -3.05 0.00 0.00 64.05 60.82 3d6x n THR 90 Cb 0.48 0.95 -0.07 0.00 -1.55 0.00 0.00 70.33 70.14 3d6x n THR 90 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3d6x s GLY 91 N -2.94 -0.43 -0.01 1.09 0.00 -1.17 -5.00 107.32 98.86 3d6x s GLY 91 Ca 0.09 1.16 0.03 0.00 0.00 0.00 0.00 44.72 46.00 3d6x s GLY 91 CO 0.82 0.87 -0.09 -0.42 0.00 0.00 0.00 173.10 174.29 3d6x s ILE 92 N -0.81 0.68 0.03 0.90 1.01 -1.26 -0.52 121.20 121.23 3d6x s ILE 92 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3d6x s ILE 92 Cb -0.02 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3d6x s ILE 92 CO 0.06 0.19 -0.05 -1.81 0.00 0.00 0.00 174.94 173.33 3d6x s ASP 93 N -0.17 0.54 -1.62 3.58 1.01 -0.17 -4.87 116.67 114.97 3d6x s ASP 93 Ca 0.03 -0.56 -0.14 0.00 0.71 0.00 0.00 52.55 52.60 3d6x s ASP 93 Cb -0.04 0.08 0.11 0.00 1.01 0.00 0.00 42.92 44.08 3d6x s ASP 93 CO -0.00 -0.28 0.69 0.61 0.21 0.00 0.00 175.17 176.41 3d6x n GLY 94 N 1.43 -0.39 3.71 0.21 0.00 -1.26 -0.59 105.19 108.30 3d6x n GLY 94 Ca -0.23 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.47 3.24 -0.04 4.61 0.00 -1.25 -4.15 121.76 120.70 3d6x s ALA 95 Ca 0.55 0.65 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3d6x s ALA 95 Cb -0.30 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3d6x s ALA 95 CO 0.92 -0.31 -0.04 0.15 0.00 0.00 0.00 175.76 176.48 3d6x s LYS 96 N 1.03 0.68 -0.21 0.00 -0.14 0.46 -4.98 119.74 116.60 3d6x s LYS 96 Ca 0.54 -0.08 -0.06 0.00 -1.36 0.00 0.00 55.97 55.01 3d6x s LYS 96 Cb -0.24 -0.72 -0.03 0.00 -1.68 0.00 0.00 37.83 35.16 3d6x s LYS 96 CO 0.28 -0.07 0.04 -0.06 -0.76 0.00 0.00 175.35 174.78 3d6x s PHE 97 N 0.83 3.12 -0.02 3.18 0.40 -1.26 -1.50 117.98 122.73 3d6x s PHE 97 Ca -0.10 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 55.96 3d6x s PHE 97 Cb -0.13 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 3d6x s PHE 97 CO -0.00 -0.13 -0.04 -2.13 0.70 0.00 0.00 175.22 173.62 3d6x n ARG 98 N 4.17 0.06 -4.30 0.44 0.63 0.15 -4.99 116.66 112.83 3d6x n ARG 98 Ca -0.17 0.03 -0.21 0.00 -0.92 0.00 0.00 57.85 56.58 3d6x n ARG 98 Cb 0.52 -0.58 -0.11 0.00 0.45 0.00 0.00 32.46 32.74 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 -4.33 2.43 0.40 6.15 0.01 -1.23 -5.05 114.94 113.33 3d6x s ASN 99 Ca -0.04 -0.82 -0.26 0.00 -0.71 0.00 0.00 52.86 51.04 3d6x s ASN 99 Cb 0.00 -0.12 -0.10 0.00 0.41 0.00 0.00 41.25 41.44 3d6x s ASN 99 CO 0.05 -0.06 1.20 -2.65 -1.51 0.00 0.00 177.10 174.13 3d6x n PRO 100 N 0.48 1.78 -4.49 -0.60 -0.02 -1.26 -4.83 135.00 126.07 3d6x n PRO 100 Ca -0.15 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 3d6x n PRO 100 Cb 0.57 -2.27 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3d6x n PRO 100 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d6x s VAL 101 N -1.20 3.80 0.15 -1.45 1.01 -1.26 -5.03 120.40 116.42 3d6x s VAL 101 Ca 0.61 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3d6x s VAL 101 Cb -0.54 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3d6x s VAL 101 CO 0.58 0.53 -0.11 -0.13 0.00 0.00 0.00 175.10 175.97 3d6x s ARG 102 N 0.01 1.07 0.29 2.72 0.52 -1.26 -0.93 118.95 121.37 3d6x s ARG 102 Ca 0.00 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 53.48 3d6x s ARG 102 Cb -0.13 -0.68 -0.13 0.00 0.52 0.00 0.00 34.95 34.53 3d6x s ARG 102 CO 0.03 0.09 1.28 -2.30 0.02 0.00 0.00 175.30 174.42 3d6x n PRO 103 N -0.13 1.94 0.00 3.54 -0.02 -1.26 -1.55 135.00 137.51 3d6x n PRO 103 Ca -0.11 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3d6x n PRO 103 Cb 0.60 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.40 2.23 3.77 -1.23 0.00 0.84 -4.94 105.19 107.26 3d6x n GLY 104 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.43 7.47 -0.24 1.61 -0.00 -0.60 -4.88 116.67 118.60 3d6x s ASP 105 Ca 0.00 1.78 -0.19 0.00 -0.00 0.00 0.00 52.55 54.14 3d6x s ASP 105 Cb 0.00 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 3d6x s ASP 105 CO 0.00 0.15 0.56 -0.60 -0.00 0.00 0.00 175.17 175.28 3d6x s ARG 106 N -1.30 4.11 -0.55 8.23 3.52 -1.26 -1.51 118.95 130.19 3d6x s ARG 106 Ca 0.40 0.42 -0.19 0.00 -0.13 0.00 0.00 55.73 56.23 3d6x s ARG 106 Cb -0.23 -3.63 0.08 0.00 -1.56 0.00 0.00 34.95 29.60 3d6x s ARG 106 CO 0.28 -0.33 0.68 -1.17 -0.81 0.00 0.00 175.30 173.95 3d6x s LEU 107 N 2.23 5.09 -0.21 -0.88 2.96 0.12 -4.39 118.68 123.59 3d6x s LEU 107 Ca 0.24 -1.10 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 3d6x s LEU 107 Cb -0.16 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 3d6x s LEU 107 CO 0.09 -1.01 0.66 -1.81 -1.32 0.00 0.00 176.35 172.97 3d6x s ASP 108 N 3.10 6.69 0.02 3.68 1.01 0.76 -1.22 116.67 130.71 3d6x s ASP 108 Ca 0.14 0.85 -0.10 0.00 0.71 0.00 0.00 52.55 54.15 3d6x s ASP 108 Cb -0.21 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3d6x s ASP 108 CO 0.10 -0.33 0.34 -0.31 0.21 0.00 0.00 175.17 175.18 3d6x s TYR 109 N 2.16 3.62 0.36 4.23 1.51 0.18 -0.12 117.35 129.28 3d6x s TYR 109 Ca 0.29 0.75 0.04 0.00 -1.01 0.00 0.00 57.07 57.14 3d6x s TYR 109 Cb -0.16 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 3d6x s TYR 109 CO 0.10 0.60 0.12 -1.21 -1.11 0.00 0.00 175.55 174.05 3d6x s GLU 110 N -1.59 1.76 -0.30 -0.62 2.02 0.58 -2.56 118.70 118.00 3d6x s GLU 110 Ca 0.27 -2.03 -0.27 0.00 0.02 0.00 0.00 54.97 52.96 3d6x s GLU 110 Cb -0.14 -0.50 0.20 0.00 0.10 0.00 0.00 34.13 33.79 3d6x s GLU 110 CO 0.15 -0.41 1.45 -1.54 0.02 0.00 0.00 175.26 174.93 3d6x s SER 112 N -3.50 -0.00 -0.20 -0.19 1.04 0.00 -0.99 113.70 109.85 3d6x s SER 112 Ca 0.30 0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.48 3d6x s SER 112 Cb 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 3d6x s SER 112 CO 0.16 -0.00 0.84 -0.69 0.98 0.00 0.00 173.24 174.52 3d6x s VAL 113 N -0.49 4.85 -0.17 5.02 1.01 -0.13 -0.20 120.40 130.29 3d6x s VAL 113 Ca 0.09 1.62 0.07 0.00 0.00 0.00 0.00 61.98 63.76 3d6x s VAL 113 Cb -0.03 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 31.99 3d6x s VAL 113 CO -0.13 -0.03 0.15 1.33 0.00 0.00 0.00 175.10 176.43 3d6x n VAL 114 N 4.98 1.54 -3.94 2.92 0.24 0.59 -4.90 118.33 119.77 3d6x n VAL 114 Ca 0.05 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.53 3d6x n VAL 114 Cb 0.48 -1.11 -0.12 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 -2.53 0.23 -0.07 7.34 2.20 -1.08 -5.00 119.74 120.82 3d6x s LYS 115 Ca -0.19 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3d6x s LYS 115 Cb 0.07 0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.52 3d6x s LYS 115 CO 0.75 -0.04 0.12 1.21 -0.36 0.00 0.00 175.35 177.03 3d6x s ASN 116 N -1.01 0.95 -0.10 1.43 2.47 -1.26 -1.07 114.94 116.36 3d6x s ASN 116 Ca -0.11 0.20 -0.03 0.00 0.42 0.00 0.00 52.86 53.34 3d6x s ASN 116 Cb -0.07 0.10 0.04 0.00 -1.45 0.00 0.00 41.25 39.87 3d6x s ASN 116 CO -0.01 -0.25 0.07 -0.13 -3.72 0.00 0.00 177.10 173.07 3d6x s ARG 117 N 2.24 0.00 2.01 0.43 0.52 -1.26 -5.03 118.95 117.86 3d6x s ARG 117 Ca 0.04 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 3d6x s ARG 117 Cb -0.12 -1.10 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3d6x s ARG 117 CO -0.05 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.20 3d6x n GLY 118 N 5.29 2.22 3.27 -3.53 0.00 -1.26 -4.76 105.19 106.42 3d6x n GLY 118 Ca -0.05 0.42 -0.44 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 5.18 5.64 0.00 1.61 6.94 -1.26 -5.09 115.26 128.28 3d6x n ASN 119 Ca 0.00 -3.11 0.00 0.00 -0.02 0.00 0.00 54.58 51.45 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 2.94 0.00 -4.74 -2.53 7.02 -0.68 -3.13 117.44 116.33 3d6x n TRP 121 Ca 0.27 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.45 3d6x n TRP 121 Cb 0.38 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.11 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 -0.54 1.74 -0.04 -0.99 1.01 -0.23 -0.53 121.20 121.61 3d6x s ILE 122 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3d6x s ILE 122 Cb 0.00 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3d6x s ILE 122 CO 0.00 0.49 -0.15 -0.36 0.00 0.00 0.00 174.94 174.92 3d6x s PHE 123 N 0.72 2.67 -0.25 3.97 0.40 0.30 -0.30 117.98 125.49 3d6x s PHE 123 Ca -0.11 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 55.87 3d6x s PHE 123 Cb -0.16 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 3d6x s PHE 123 CO 0.02 0.17 0.45 0.21 0.70 0.00 0.00 175.22 176.76 3d6x s LYS 124 N -0.74 4.09 0.01 0.44 2.47 0.71 -0.82 119.74 125.90 3d6x s LYS 124 Ca 0.11 0.22 0.08 0.00 -1.56 0.00 0.00 55.97 54.82 3d6x s LYS 124 Cb -0.11 -3.62 -0.02 0.00 -1.46 0.00 0.00 37.83 32.62 3d6x s LYS 124 CO 0.00 -0.24 -0.25 0.20 0.16 0.00 0.00 175.35 175.23 3d6x s GLY 125 N 1.43 1.26 -0.01 5.54 0.00 -0.05 -0.82 107.32 114.67 3d6x s GLY 125 Ca 0.19 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 3d6x s GLY 125 CO 0.09 -0.99 0.14 1.20 0.00 0.00 0.00 173.10 173.54 3d6x s GLN 126 N -0.91 0.42 -0.03 2.90 -0.21 -0.16 -1.78 119.66 119.89 3d6x s GLN 126 Ca 0.10 -0.29 0.06 0.00 0.02 0.00 0.00 55.36 55.25 3d6x s GLN 126 Cb -0.10 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.08 3d6x s GLN 126 CO 0.01 -0.10 -0.22 0.00 -2.12 0.00 0.00 175.29 172.86 3d6x s ALA 127 N -1.11 1.84 0.09 6.09 0.00 -0.09 -0.31 121.76 128.27 3d6x s ALA 127 Ca -0.12 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 50.96 3d6x s ALA 127 Cb -0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3d6x s ALA 127 CO 0.01 0.41 -0.10 -0.06 0.00 0.00 0.00 175.76 176.02 3d6x s PHE 128 N -0.35 1.04 -0.12 0.00 0.40 0.82 -0.40 117.98 119.37 3d6x s PHE 128 Ca 0.04 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 55.74 3d6x s PHE 128 Cb -0.10 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 42.89 3d6x s PHE 128 CO 0.01 -0.00 -0.01 0.08 0.70 0.00 0.00 175.22 176.00 3d6x s VAL 129 N -2.20 0.58 -1.43 -0.44 1.01 -0.67 -0.17 120.40 117.08 3d6x s VAL 129 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3d6x s VAL 129 Cb -0.04 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.59 3d6x s VAL 129 CO 0.00 0.14 0.69 0.47 0.00 0.00 0.00 175.10 176.40 3d6x n ASP 130 N 5.07 -4.59 0.00 3.32 9.92 -1.26 -1.54 116.55 127.46 3d6x n ASP 130 Ca -0.09 -0.51 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 3d6x n ASP 130 Cb 0.49 -3.73 0.00 0.00 -0.64 0.00 0.00 41.12 37.25 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 -1.43 0.50 3.45 0.44 0.00 -1.26 -5.01 105.19 101.88 3d6x n GLY 131 Ca -0.01 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3d6x n GLY 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d6x s ASN 132 N -2.09 5.15 0.16 1.61 2.47 -0.59 -5.06 114.94 116.60 3d6x s ASN 132 Ca 0.00 -0.20 -0.32 0.00 0.42 0.00 0.00 52.86 52.76 3d6x s ASN 132 Cb 0.00 -1.93 -0.12 0.00 -1.45 0.00 0.00 41.25 37.75 3d6x s ASN 132 CO 0.00 -0.03 1.73 -0.11 -3.72 0.00 0.00 177.10 174.97 3d6x n LEU 133 N 4.88 3.79 -0.00 3.21 0.00 -1.26 -1.66 117.00 125.95 3d6x n LEU 133 Ca -0.16 1.04 -0.00 0.00 0.00 0.00 0.00 56.01 56.89 3d6x n LEU 133 Cb 0.51 -1.52 -0.01 0.00 0.00 0.00 0.00 43.42 42.40 3d6x n LEU 133 CO 0.31 0.07 -0.52 1.33 0.00 0.00 0.00 177.39 178.58 3d6x n VAL 134 N 4.10 0.03 -3.70 1.96 0.24 0.46 -4.36 118.33 117.07 3d6x n VAL 134 Ca 0.17 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.32 3d6x n VAL 134 Cb 0.34 -0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.03 -0.93 0.07 2.33 0.00 -1.18 0.31 121.76 120.33 3d6x s ALA 135 Ca -0.00 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 3d6x s ALA 135 Cb 0.00 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.43 3d6x s ALA 135 CO 0.03 -0.40 0.50 -1.83 0.00 0.00 0.00 175.76 174.06 3d6x s GLU 136 N -2.16 1.06 -0.18 0.00 -1.05 -0.56 -0.91 118.70 114.90 3d6x s GLU 136 Ca -0.07 -0.36 -0.34 0.00 -0.15 0.00 0.00 54.97 54.04 3d6x s GLU 136 Cb -0.02 0.48 0.14 0.00 -0.44 0.00 0.00 34.13 34.29 3d6x s GLU 136 CO -0.00 -0.40 1.18 0.00 0.95 0.00 0.00 175.26 176.99 3d6x s ALA 137 N -2.85 -2.05 -0.15 -0.84 0.00 -0.73 -0.40 121.76 114.75 3d6x s ALA 137 Ca -0.03 1.56 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 3d6x s ALA 137 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3d6x s ALA 137 CO -0.05 -0.57 0.06 -1.83 0.00 0.00 0.00 175.76 173.36 3d6x s GLU 138 N -2.36 3.62 -0.11 0.00 -1.05 0.24 -0.88 118.70 118.17 3d6x s GLU 138 Ca 0.08 -0.32 0.01 0.00 -0.15 0.00 0.00 54.97 54.59 3d6x s GLU 138 Cb -0.01 -3.10 -0.02 0.00 -0.44 0.00 0.00 34.13 30.57 3d6x s GLU 138 CO -0.05 0.48 -0.13 -0.51 0.95 0.00 0.00 175.26 176.00 3d6x s LEU 139 N -0.21 2.75 -0.16 1.83 2.01 -0.01 -1.00 118.68 123.90 3d6x s LEU 139 Ca 0.08 -0.28 -0.06 0.00 0.01 0.00 0.00 54.13 53.88 3d6x s LEU 139 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.44 3d6x s LEU 139 CO 0.01 0.21 0.03 -0.75 1.01 0.00 0.00 176.35 176.87 3d6x s LYS 140 N 0.06 3.79 0.32 1.70 2.20 0.32 -0.54 119.74 127.59 3d6x s LYS 140 Ca -0.05 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 3d6x s LYS 140 Cb -0.14 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3d6x s LYS 140 CO 0.04 0.32 0.12 0.00 -0.36 0.00 0.00 175.35 175.47 3d6x n ALA 141 N 3.37 0.46 -3.58 3.13 0.00 0.31 -1.41 120.51 122.79 3d6x n ALA 141 Ca -0.17 -1.64 -0.12 0.00 0.00 0.00 0.00 53.44 51.51 3d6x n ALA 141 Cb 0.52 1.12 -0.06 0.00 0.00 0.00 0.00 19.45 21.04 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 -2.79 0.00 -1.07 0.00 1.09 -1.18 -1.68 121.20 115.56 3d6x s ILE 143 Ca 0.18 0.00 0.09 0.00 -1.10 0.00 0.00 60.65 59.81 3d6x s ILE 143 Cb 0.01 -1.00 0.07 0.00 -1.06 0.00 0.00 42.46 40.48 3d6x s ILE 143 CO 0.12 0.00 0.77 0.52 -0.10 0.00 0.00 174.94 176.26