#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 3.12 0.00 4.38 3.84 -1.26 -0.89 116.67 125.87 3d6x s ASP 3 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 52.55 52.57 3d6x s ASP 3 Cb 0.00 -0.04 0.00 0.00 -1.38 0.00 0.00 42.92 41.50 3d6x s ASP 3 CO 0.00 -2.71 0.26 0.52 -0.00 0.00 0.00 175.17 173.24 3d6x n VAL 4 N -3.65 0.26 0.00 2.11 0.31 -1.23 -1.28 118.33 114.85 3d6x n VAL 4 Ca 0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3d6x n VAL 4 Cb 0.59 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3d6x n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d6x n GLN 6 N 1.30 0.00 -0.19 5.55 6.02 -1.26 -1.40 117.38 127.40 3d6x n GLN 6 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 3d6x n GLN 6 Cb 0.09 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.43 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 0.90 0.00 5.09 2.04 -1.51 0.41 117.51 124.44 3d6x h ILE 7 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3d6x h ILE 7 Cb 0.00 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3d6x h ILE 7 CO 0.00 0.09 0.00 1.56 0.00 0.00 0.00 178.15 179.80 3d6x h GLN 8 N 0.50 0.00 0.00 2.37 4.20 -1.47 0.47 115.11 121.19 3d6x h GLN 8 Ca 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 3d6x h GLN 8 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3d6x h GLN 8 CO -0.21 0.00 -0.09 0.93 -0.67 0.00 0.00 178.83 178.79 3d6x h GLU 9 N 0.00 0.00 0.00 1.46 5.08 -0.45 -3.38 114.58 117.29 3d6x h GLU 9 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3d6x h GLU 9 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3d6x h GLU 9 CO 0.00 0.08 -1.43 -0.89 -1.00 0.00 0.00 179.01 175.78 3d6x n ILE 10 N -3.12 1.51 -2.78 3.13 5.41 0.58 -4.96 119.36 119.13 3d6x n ILE 10 Ca 0.04 -0.01 -0.37 0.00 1.00 0.00 0.00 62.75 63.41 3d6x n ILE 10 Cb 0.56 -2.21 -0.06 0.00 -0.71 0.00 0.00 39.64 37.22 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 -7.81 4.33 0.18 1.39 1.43 0.13 -4.96 118.68 113.39 3d6x s LEU 11 Ca -0.31 1.83 0.26 0.00 -1.03 0.00 0.00 54.13 54.88 3d6x s LEU 11 Cb 0.07 -4.02 0.68 0.00 0.03 0.00 0.00 46.19 42.95 3d6x s LEU 11 CO 0.44 -0.07 1.65 -0.81 0.23 0.00 0.00 176.35 177.79 3d6x n PRO 12 N 0.54 0.27 -1.75 1.29 -0.04 -1.26 -4.54 135.00 129.50 3d6x n PRO 12 Ca 0.02 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 3d6x n PRO 12 Cb 0.50 -1.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3d6x n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3d6x n HIS 13 N -2.22 2.81 -4.41 0.54 8.25 -1.26 -5.03 115.22 113.90 3d6x n HIS 13 Ca 0.05 0.45 -0.20 0.00 -0.26 0.00 0.00 57.72 57.76 3d6x n HIS 13 Cb 0.43 -2.51 -0.10 0.00 1.12 0.00 0.00 29.99 28.93 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 -1.89 1.55 0.36 -0.41 1.81 -1.26 -4.79 118.95 114.32 3d6x s ARG 14 Ca 0.55 -1.83 -0.28 0.00 -1.72 0.00 0.00 55.73 52.45 3d6x s ARG 14 Cb -0.50 -0.83 -0.12 0.00 -0.45 0.00 0.00 34.95 33.05 3d6x s ARG 14 CO 0.62 -0.13 1.39 0.98 -0.68 0.00 0.00 175.30 177.48 3d6x n TYR 15 N -0.59 2.64 -0.14 -0.53 9.36 -1.26 -0.04 117.16 126.60 3d6x n TYR 15 Ca -0.03 0.50 -0.07 0.00 3.32 0.00 0.00 57.90 61.62 3d6x n TYR 15 Cb 0.65 -2.47 0.14 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 0.47 2.22 -1.29 2.98 -0.05 -1.26 -4.89 135.00 133.18 3d6x n PRO 16 Ca 0.03 -1.66 0.03 0.00 -0.05 0.00 0.00 63.50 61.86 3d6x n PRO 16 Cb 0.38 -1.74 0.09 0.00 -0.05 0.00 0.00 33.50 32.17 3d6x n PRO 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 3d6x n PHE 17 N -0.12 0.20 -3.28 0.54 -0.00 0.94 -4.96 117.46 110.78 3d6x n PHE 17 Ca 0.26 -1.04 -0.44 0.00 -0.00 0.00 0.00 57.45 56.23 3d6x n PHE 17 Cb 1.00 -0.20 -0.07 0.00 -0.00 0.00 0.00 39.48 40.21 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 -1.56 5.38 -0.26 -2.13 2.96 -1.02 -4.62 118.68 117.43 3d6x s LEU 18 Ca 0.36 -1.19 0.12 0.00 -0.22 0.00 0.00 54.13 53.20 3d6x s LEU 18 Cb 0.38 -2.29 0.59 0.00 0.50 0.00 0.00 46.19 45.37 3d6x s LEU 18 CO -0.12 -0.77 1.56 0.18 -1.32 0.00 0.00 176.35 175.88 3d6x n LEU 19 N 5.63 4.66 -3.99 -0.68 4.77 -1.26 -4.87 117.00 121.26 3d6x n LEU 19 Ca -0.10 -3.30 -0.27 0.00 -0.03 0.00 0.00 56.01 52.30 3d6x n LEU 19 Cb 0.44 -0.64 -0.17 0.00 -2.33 0.00 0.00 43.42 40.73 3d6x n LEU 19 CO 0.51 0.88 -0.47 -0.69 -1.33 0.00 0.00 177.39 176.29 3d6x s VAL 20 N -3.01 1.25 -0.09 4.08 1.01 -1.26 -4.57 120.40 117.82 3d6x s VAL 20 Ca 0.47 -0.48 0.15 0.00 0.00 0.00 0.00 61.98 62.12 3d6x s VAL 20 Cb 0.39 -1.19 -0.18 0.00 0.00 0.00 0.00 36.38 35.40 3d6x s VAL 20 CO 0.08 0.40 0.75 0.47 0.00 0.00 0.00 175.10 176.79 3d6x n ASP 21 N 4.46 0.85 -3.58 3.32 8.00 0.11 -4.91 116.55 124.80 3d6x n ASP 21 Ca -0.17 0.39 -0.15 0.00 0.71 0.00 0.00 54.79 55.57 3d6x n ASP 21 Cb 0.51 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.79 0.87 -0.24 -1.24 2.20 -1.12 -3.54 119.74 113.89 3d6x s LYS 22 Ca -0.04 0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 3d6x s LYS 22 Cb 0.08 0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 3d6x s LYS 22 CO 0.82 -0.21 0.01 0.42 -0.36 0.00 0.00 175.35 176.03 3d6x s ILE 23 N -0.52 3.79 -0.10 5.43 1.01 -0.06 -0.82 121.20 129.92 3d6x s ILE 23 Ca -0.05 -0.40 0.16 0.00 0.00 0.00 0.00 60.65 60.36 3d6x s ILE 23 Cb -0.02 -2.77 -0.19 0.00 0.01 0.00 0.00 42.46 39.49 3d6x s ILE 23 CO 0.04 0.35 0.69 0.35 0.00 0.00 0.00 174.94 176.37 3d6x n THR 24 N 4.85 1.32 -3.75 2.92 -2.24 0.82 -0.94 114.28 117.26 3d6x n THR 24 Ca -0.17 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 3d6x n THR 24 Cb 0.51 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 3d6x n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d6x s GLU 25 N -2.79 0.37 -0.24 -0.78 2.02 -0.97 -4.85 118.70 111.47 3d6x s GLU 25 Ca -0.04 0.50 -0.04 0.00 0.02 0.00 0.00 54.97 55.41 3d6x s GLU 25 Cb 0.08 0.14 0.13 0.00 0.10 0.00 0.00 34.13 34.58 3d6x s GLU 25 CO 0.82 -0.07 0.42 -1.17 0.02 0.00 0.00 175.26 175.28 3d6x s LEU 26 N 0.39 -0.73 -0.30 1.80 1.98 -1.26 -0.49 118.68 120.08 3d6x s LEU 26 Ca -0.02 0.51 -0.05 0.00 -2.89 0.00 0.00 54.13 51.68 3d6x s LEU 26 Cb -0.04 1.31 0.02 0.00 0.66 0.00 0.00 46.19 48.15 3d6x s LEU 26 CO -0.02 -0.28 0.05 -0.75 -1.89 0.00 0.00 176.35 173.46 3d6x s LYS 27 N 2.60 2.85 0.31 1.98 2.47 -0.45 -5.03 119.74 124.47 3d6x s LYS 27 Ca 0.10 -1.01 -0.28 0.00 -1.56 0.00 0.00 55.97 53.22 3d6x s LYS 27 Cb -0.14 -3.29 -0.13 0.00 -1.46 0.00 0.00 37.83 32.81 3d6x s LYS 27 CO -0.16 -0.51 1.19 1.33 0.16 0.00 0.00 175.35 177.37 3d6x n VAL 28 N 4.78 1.88 -1.10 4.02 0.24 -1.26 -1.61 118.33 125.27 3d6x n VAL 28 Ca -0.14 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.65 3d6x n VAL 28 Cb 0.46 -1.32 -0.01 0.00 -1.47 0.00 0.00 33.84 31.50 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 0.78 -1.43 0.00 7.34 5.02 -1.26 -4.72 118.16 123.88 3d6x n LYS 29 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3d6x n LYS 29 Cb 0.34 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 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 -0.52 0.00 -3.75 1.97 1.02 -0.64 -4.80 120.64 113.93 3d6x n GLU 30 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 3d6x n GLU 30 Cb 0.41 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.74 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 -0.91 0.03 -0.02 2.62 0.11 -0.91 -0.78 120.40 120.54 3d6x s VAL 31 Ca 0.00 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 3d6x s VAL 31 Cb 0.00 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3d6x s VAL 31 CO 0.00 -0.16 -0.09 0.54 -3.33 0.00 0.00 175.10 172.06 3d6x s VAL 32 N -0.79 0.79 -0.12 2.04 0.11 -1.26 -1.34 120.40 119.83 3d6x s VAL 32 Ca -0.09 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.61 3d6x s VAL 32 Cb -0.04 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.11 3d6x s VAL 32 CO 0.03 0.24 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.09 3d6x s LEU 33 N 0.12 2.32 0.27 2.54 2.01 0.36 -4.35 118.68 121.95 3d6x s LEU 33 Ca -0.02 -0.49 -0.17 0.00 0.01 0.00 0.00 54.13 53.46 3d6x s LEU 33 Cb -0.08 -1.49 0.01 0.00 0.01 0.00 0.00 46.19 44.64 3d6x s LEU 33 CO 0.00 0.14 0.61 -0.83 1.01 0.00 0.00 176.35 177.29 3d6x s GLY 34 N 0.48 0.25 0.16 -3.19 0.00 -0.98 -0.12 107.32 103.92 3d6x s GLY 34 Ca -0.13 -0.62 -0.06 0.00 0.00 0.00 0.00 44.72 43.91 3d6x s GLY 34 CO 0.05 -0.36 0.21 -2.52 0.00 0.00 0.00 173.10 170.48 3d6x s TYR 35 N -3.84 0.61 -0.06 1.90 1.13 0.00 0.88 117.35 117.97 3d6x s TYR 35 Ca 0.17 -0.96 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 3d6x s TYR 35 Cb -0.03 -0.22 0.01 0.00 -1.10 0.00 0.00 41.96 40.61 3d6x s TYR 35 CO 0.09 -0.66 -0.15 0.21 -2.51 0.00 0.00 175.55 172.52 3d6x s LYS 36 N -4.01 1.93 0.02 -3.49 2.20 -0.44 -0.71 119.74 115.24 3d6x s LYS 36 Ca 0.21 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 3d6x s LYS 36 Cb 0.05 -1.58 -0.04 0.00 -1.51 0.00 0.00 37.83 34.74 3d6x s LYS 36 CO 0.02 0.11 1.12 -0.80 -0.36 0.00 0.00 175.35 175.45 3d6x s ASN 37 N 0.43 7.17 -0.22 1.43 0.01 -1.26 -0.96 114.94 121.54 3d6x s ASN 37 Ca -0.12 1.86 -0.07 0.00 -0.71 0.00 0.00 52.86 53.82 3d6x s ASN 37 Cb -0.15 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.91 3d6x s ASN 37 CO 0.04 -0.42 0.05 -0.63 -1.51 0.00 0.00 177.10 174.63 3d6x s ILE 38 N 1.22 4.34 0.03 0.60 -1.09 -0.72 -4.96 121.20 120.62 3d6x s ILE 38 Ca 0.56 -0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.78 3d6x s ILE 38 Cb -0.26 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 3d6x s ILE 38 CO 0.28 0.39 0.01 -0.55 -1.23 0.00 0.00 174.94 173.84 3d6x s SER 39 N 1.14 0.29 0.00 3.58 0.15 -1.26 -0.63 113.70 116.96 3d6x s SER 39 Ca 0.04 -0.66 0.10 0.00 0.70 0.00 0.00 55.95 56.13 3d6x s SER 39 Cb -0.14 0.17 0.55 0.00 -1.71 0.00 0.00 66.02 64.89 3d6x s SER 39 CO 0.03 -0.46 1.11 2.30 1.20 0.00 0.00 173.24 177.42 3d6x n ILE 40 N 0.88 0.34 0.76 6.45 -6.64 -1.26 -1.68 119.36 118.21 3d6x n ILE 40 Ca -0.19 0.09 0.08 0.00 -1.77 0.00 0.00 62.75 60.95 3d6x n ILE 40 Cb 0.58 -0.93 0.40 0.00 -1.44 0.00 0.00 39.64 38.25 3d6x n ILE 40 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3d6x n SER 41 N -1.12 0.00 -4.70 7.28 7.64 -1.26 -4.76 113.62 116.70 3d6x n SER 41 Ca 0.06 0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.56 3d6x n SER 41 Cb 0.05 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 3d6x n SER 41 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d6x s ASP 42 N -2.52 6.95 0.56 6.43 -1.08 -0.67 -4.94 116.67 121.40 3d6x s ASP 42 Ca 0.16 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 53.58 3d6x s ASP 42 Cb 0.10 -2.42 1.58 0.00 -1.46 0.00 0.00 42.92 40.73 3d6x s ASP 42 CO 0.23 -0.21 2.18 1.12 0.52 0.00 0.00 175.17 179.01 3d6x h HIS 43 N 7.00 0.00 -0.79 -5.34 2.07 -1.90 -2.56 115.15 113.64 3d6x h HIS 43 Ca -0.37 0.00 0.13 0.00 -2.85 0.00 0.00 60.37 57.28 3d6x h HIS 43 Cb 1.17 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.10 3d6x h HIS 43 CO 0.67 0.00 0.52 -0.39 -3.07 0.00 0.00 177.93 175.66 3d6x h VAL 44 N 0.00 0.86 0.00 6.12 -1.51 -1.95 -3.37 116.25 116.39 3d6x h VAL 44 Ca 0.03 -0.20 -0.49 0.00 -1.23 0.00 0.00 66.70 64.81 3d6x h VAL 44 Cb 0.16 0.22 0.02 0.00 -2.13 0.00 0.00 31.29 29.56 3d6x h VAL 44 CO -0.00 0.11 2.77 0.49 -1.23 0.00 0.00 177.57 179.70 3d6x n PHE 45 N -4.51 1.75 0.02 5.19 3.01 -0.97 -0.38 117.46 121.58 3d6x n PHE 45 Ca 0.14 -2.16 0.00 0.00 1.01 0.00 0.00 57.45 56.44 3d6x n PHE 45 Cb 0.44 -1.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.06 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 3.91 -0.02 2.43 1.37 0.00 -1.26 -4.15 105.19 107.46 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 -0.53 2.18 0.00 1.61 -0.00 0.49 -4.49 115.22 114.48 3d6x n HIS 48 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 57.72 55.14 3d6x n HIS 48 Cb 0.05 -1.81 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 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 1.84 0.00 -1.68 1.57 0.99 -1.26 -2.86 117.46 116.06 3d6x n PHE 49 Ca 0.61 0.00 -0.61 0.00 -0.00 0.00 0.00 57.45 57.44 3d6x n PHE 49 Cb 0.36 0.00 -0.08 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 0.05 0.54 -0.86 -1.08 -0.02 -1.26 -0.36 135.00 132.01 3d6x n PRO 50 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3d6x n PRO 50 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.54 0.40 2.56 -1.23 0.00 -1.26 -4.90 105.19 104.30 3d6x n GLY 51 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.22 -2.37 -2.07 1.61 -0.00 0.51 -5.12 115.22 105.56 3d6x n HIS 52 Ca 0.00 -2.35 -0.43 0.00 -0.00 0.00 0.00 57.72 54.95 3d6x n HIS 52 Cb 0.11 0.86 -0.03 0.00 -0.00 0.00 0.00 29.99 30.93 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 0.30 3.98 -0.08 1.57 0.04 -1.20 -4.27 135.00 135.35 3d6x s PRO 53 Ca 0.32 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 3d6x s PRO 53 Cb 0.07 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.63 3d6x s PRO 53 CO -0.14 -1.08 -0.04 0.42 0.04 0.00 0.00 177.00 176.20 3d6x s ILE 54 N 4.65 0.68 0.02 0.56 -1.09 -1.14 -4.57 121.20 120.31 3d6x s ILE 54 Ca 0.72 -0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 3d6x s ILE 54 Cb -0.29 -0.74 -0.08 0.00 -1.58 0.00 0.00 42.46 39.78 3d6x s ILE 54 CO 0.29 0.29 1.80 -0.47 -1.23 0.00 0.00 174.94 175.62 3d6x s TYR 55 N 1.50 1.77 0.10 3.97 6.04 -0.06 -4.88 117.35 125.78 3d6x s TYR 55 Ca -0.01 -0.08 -0.33 0.00 0.04 0.00 0.00 57.07 56.69 3d6x s TYR 55 Cb -0.13 -4.09 -0.12 0.00 -1.04 0.00 0.00 41.96 36.58 3d6x s TYR 55 CO -0.04 -4.67 1.76 -2.30 -1.54 0.00 0.00 175.55 168.77 3d6x n PRO 56 N 6.93 2.49 -0.21 4.97 -0.02 -1.26 -4.61 135.00 143.29 3d6x n PRO 56 Ca 0.18 0.90 0.01 0.00 -2.02 0.00 0.00 63.50 62.58 3d6x n PRO 56 Cb 0.41 -2.75 0.12 0.00 -0.02 0.00 0.00 33.50 31.26 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 7.78 0.78 1.10 -1.23 0.00 -2.00 -0.09 103.07 109.42 3d6x h GLY 57 Ca -0.46 -0.01 0.11 0.00 0.00 0.00 0.00 47.33 46.98 3d6x h GLY 57 CO 0.93 -0.15 0.34 -0.39 0.00 0.00 0.00 176.54 177.27 3d6x h VAL 58 N 0.23 0.58 0.00 4.60 -1.51 -2.01 0.32 116.25 118.46 3d6x h VAL 58 Ca 0.33 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.65 3d6x h VAL 58 Cb 0.52 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 3d6x h VAL 58 CO -0.45 0.00 -0.72 -0.07 -1.23 0.00 0.00 177.57 175.10 3d6x h LEU 59 N 0.00 0.00 -0.46 4.19 3.38 -1.38 -2.17 115.31 118.87 3d6x h LEU 59 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3d6x h LEU 59 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3d6x h LEU 59 CO -0.00 0.72 0.14 0.40 0.09 0.00 0.00 178.44 179.79 3d6x h ILE 60 N 0.00 1.23 -0.56 1.22 2.04 -0.84 -1.10 117.51 119.49 3d6x h ILE 60 Ca -0.01 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.19 3d6x h ILE 60 Cb 1.37 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 3d6x h ILE 60 CO 0.09 0.28 0.15 -0.07 0.00 0.00 0.00 178.15 178.60 3d6x h LEU 61 N 0.62 0.07 -1.23 1.44 3.38 -1.26 -2.31 115.31 116.02 3d6x h LEU 61 Ca 0.15 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3d6x h LEU 61 Cb 0.28 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3d6x h LEU 61 CO -0.00 0.05 -0.27 -0.08 0.09 0.00 0.00 178.44 178.23 3d6x h GLU 62 N 0.29 0.18 -1.47 1.13 4.57 -0.88 -0.44 114.58 117.97 3d6x h GLU 62 Ca 0.29 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3d6x h GLU 62 Cb 0.39 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3d6x h GLU 62 CO -0.34 0.45 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 3d6x n GLY 63 N -0.57 1.00 1.43 1.92 0.00 -0.46 -0.42 105.19 108.09 3d6x n GLY 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.73 0.00 -0.14 4.61 0.00 -0.17 -1.54 120.51 124.00 3d6x n ALA 65 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3d6x n ALA 65 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 0.96 -0.41 0.00 4.20 -1.01 0.18 115.11 119.03 3d6x h GLN 66 Ca 0.00 -0.46 0.07 0.00 0.06 0.00 0.00 58.65 58.32 3d6x h GLN 66 Cb 0.00 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 3d6x h GLN 66 CO 0.00 1.13 0.04 1.15 -0.67 0.00 0.00 178.83 180.48 3d6x h THR 67 N 0.80 0.73 -0.08 -0.54 2.02 -1.54 -1.73 112.91 112.58 3d6x h THR 67 Ca 0.08 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 3d6x h THR 67 Cb 0.89 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3d6x h THR 67 CO 0.08 0.03 -0.16 1.23 0.37 0.00 0.00 175.52 177.07 3d6x h GLY 68 N 0.15 0.14 0.42 2.16 0.00 -1.72 -1.71 103.07 102.50 3d6x h GLY 68 Ca 0.20 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.49 3d6x h GLY 68 CO -0.30 0.08 -0.17 -1.33 0.00 0.00 0.00 176.54 174.81 3d6x h GLY 69 N 0.68 -0.12 0.71 4.60 0.00 -0.09 0.35 103.07 109.20 3d6x h GLY 69 Ca 0.02 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.61 3d6x h GLY 69 CO 0.02 -0.17 0.17 -2.08 0.00 0.00 0.00 176.54 174.49 3d6x h VAL 70 N -0.22 0.92 -0.33 4.60 2.07 -0.81 0.12 116.25 122.61 3d6x h VAL 70 Ca 0.10 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3d6x h VAL 70 Cb 0.36 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3d6x h VAL 70 CO -0.26 0.06 0.08 0.25 0.02 0.00 0.00 177.57 177.73 3d6x h LEU 71 N 0.36 0.04 0.07 2.57 5.85 -1.12 0.34 115.31 123.42 3d6x h LEU 71 Ca 0.18 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3d6x h LEU 71 Cb 0.13 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3d6x h LEU 71 CO -0.16 0.06 -0.03 0.00 -0.34 0.00 0.00 178.44 177.97 3d6x h ALA 72 N 1.23 -0.09 0.00 1.25 0.00 0.16 -1.83 119.26 119.98 3d6x h ALA 72 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3d6x h ALA 72 Cb 0.16 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3d6x h ALA 72 CO -0.19 -0.53 -0.03 0.74 0.00 0.00 0.00 179.25 179.24 3d6x h PHE 73 N -0.13 0.00 -0.20 0.00 -1.00 -0.47 0.45 116.94 115.59 3d6x h PHE 73 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3d6x h PHE 73 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 3d6x h PHE 73 CO -0.06 0.03 0.00 0.39 -1.61 0.00 0.00 178.31 177.06 3d6x n GLU 74 N -3.76 1.77 -2.19 1.51 -0.58 0.08 -5.02 120.64 112.45 3d6x n GLU 74 Ca -0.03 -1.16 -0.26 0.00 -0.42 0.00 0.00 57.16 55.29 3d6x n GLU 74 Cb 0.13 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.39 5.00 -0.68 1.62 7.64 0.16 -4.81 113.62 122.94 3d6x n SER 75 Ca 0.16 -3.74 0.13 0.00 1.01 0.00 0.00 58.87 56.43 3d6x n SER 75 Cb 0.34 -0.43 0.30 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.61 1.87 0.00 1.43 -0.58 -1.26 -4.69 120.64 116.80 3d6x n GLU 77 Ca 0.43 -1.36 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 3d6x n GLU 77 Cb 0.81 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3d6x n GLU 77 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3d6x n PRO 82 N 0.62 0.00 0.00 3.49 -0.02 -1.26 -5.27 135.00 132.57 3d6x n PRO 82 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3d6x n PRO 82 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3d6x n PRO 82 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3d6x n LYS 83 N 0.00 1.19 -3.16 -0.52 3.00 -1.26 -4.89 118.16 112.51 3d6x n LYS 83 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 3d6x n LYS 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3d6x n LYS 83 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3d6x n SER 84 N 0.00 -1.71 -4.99 3.14 7.64 -1.26 -5.03 113.62 111.41 3d6x n SER 84 Ca 0.00 -0.39 -0.18 0.00 1.01 0.00 0.00 58.87 59.31 3d6x n SER 84 Cb 0.00 -0.58 0.01 0.00 -1.01 0.00 0.00 64.21 62.63 3d6x n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3d6x s LYS 85 N -3.68 2.72 0.12 1.43 -0.14 -1.26 -4.82 119.74 114.11 3d6x s LYS 85 Ca 0.04 -1.34 0.08 0.00 -1.36 0.00 0.00 55.97 53.39 3d6x s LYS 85 Cb -0.02 -2.68 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 3d6x s LYS 85 CO 0.34 -0.33 -0.19 0.54 -0.76 0.00 0.00 175.35 174.95 3d6x s VAL 86 N -2.41 1.68 -0.30 3.17 0.11 0.26 -4.95 120.40 117.97 3d6x s VAL 86 Ca 0.55 -1.67 0.01 0.00 -2.93 0.00 0.00 61.98 57.93 3d6x s VAL 86 Cb -0.08 -1.62 0.06 0.00 -1.53 0.00 0.00 36.38 33.21 3d6x s VAL 86 CO 0.33 -0.18 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.20 3d6x s VAL 87 N -1.55 2.62 -0.24 2.04 1.01 -1.26 -1.17 120.40 121.85 3d6x s VAL 87 Ca 0.09 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.36 3d6x s VAL 87 Cb -0.08 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3d6x s VAL 87 CO 0.05 -0.17 0.12 -0.47 0.00 0.00 0.00 175.10 174.63 3d6x s TYR 88 N 1.15 3.20 -0.33 5.22 6.04 -1.26 -5.01 117.35 126.36 3d6x s TYR 88 Ca -0.04 -0.05 -0.22 0.00 0.04 0.00 0.00 57.07 56.80 3d6x s TYR 88 Cb -0.20 -2.26 0.00 0.00 -1.04 0.00 0.00 41.96 38.47 3d6x s TYR 88 CO -0.03 -0.13 0.72 -0.06 -1.54 0.00 0.00 175.55 174.51 3d6x s PHE 89 N 1.32 3.17 -0.69 4.97 0.08 -1.26 -4.39 117.98 121.18 3d6x s PHE 89 Ca 0.06 0.60 0.21 0.00 0.12 0.00 0.00 56.93 57.91 3d6x s PHE 89 Cb -0.15 -3.21 -0.26 0.00 -0.57 0.00 0.00 43.02 38.83 3d6x s PHE 89 CO 0.05 -0.61 0.76 0.25 -0.10 0.00 0.00 175.22 175.57 3d6x n THR 90 N 5.59 0.00 -3.69 0.64 -2.24 -0.50 -4.97 114.28 109.11 3d6x n THR 90 Ca 0.02 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 3d6x n THR 90 Cb 0.48 0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 3d6x n THR 90 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d6x s GLY 91 N -3.42 -0.27 -0.01 3.38 0.00 -1.16 -5.00 107.32 100.83 3d6x s GLY 91 Ca 0.03 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3d6x s GLY 91 CO 0.86 0.30 -0.01 -0.42 0.00 0.00 0.00 173.10 173.84 3d6x s ILE 92 N -1.52 0.11 0.03 0.90 1.01 -1.26 -0.90 121.20 119.57 3d6x s ILE 92 Ca -0.11 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3d6x s ILE 92 Cb -0.03 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 3d6x s ILE 92 CO 0.04 0.07 -0.05 -1.81 0.00 0.00 0.00 174.94 173.19 3d6x s ASP 93 N 0.37 0.54 -1.57 3.58 -0.00 -0.02 -4.88 116.67 114.69 3d6x s ASP 93 Ca -0.03 -0.53 -0.09 0.00 -0.00 0.00 0.00 52.55 51.90 3d6x s ASP 93 Cb -0.05 0.07 0.08 0.00 -0.00 0.00 0.00 42.92 43.01 3d6x s ASP 93 CO -0.01 -0.26 0.53 0.61 -0.00 0.00 0.00 175.17 176.05 3d6x n GLY 94 N 1.52 -0.31 3.74 0.21 0.00 -1.26 -0.82 105.19 108.26 3d6x n GLY 94 Ca -0.23 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.70 3.34 -0.02 4.61 0.00 -1.25 -4.19 121.76 120.55 3d6x s ALA 95 Ca 0.35 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3d6x s ALA 95 Cb -0.19 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.90 3d6x s ALA 95 CO 0.92 0.02 -0.05 0.15 0.00 0.00 0.00 175.76 176.80 3d6x s LYS 96 N 0.12 0.54 -0.16 0.00 1.02 0.50 -4.98 119.74 116.79 3d6x s LYS 96 Ca 0.40 -0.15 -0.04 0.00 0.02 0.00 0.00 55.97 56.21 3d6x s LYS 96 Cb -0.20 -0.56 -0.02 0.00 -0.52 0.00 0.00 37.83 36.52 3d6x s LYS 96 CO 0.23 0.04 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.60 3d6x s PHE 97 N 0.27 3.00 -0.01 3.18 0.40 -1.26 -1.71 117.98 121.85 3d6x s PHE 97 Ca -0.03 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 3d6x s PHE 97 Cb -0.07 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 3d6x s PHE 97 CO -0.00 -0.12 -0.03 -2.13 0.70 0.00 0.00 175.22 173.64 3d6x n ARG 98 N 3.72 0.04 -4.27 0.44 3.00 0.24 -4.98 116.66 114.85 3d6x n ARG 98 Ca -0.17 0.02 -0.22 0.00 -0.00 0.00 0.00 57.85 57.47 3d6x n ARG 98 Cb 0.52 -0.53 -0.12 0.00 0.00 0.00 0.00 32.46 32.33 3d6x n ARG 98 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3d6x s ASN 99 N -4.22 2.40 0.56 6.15 0.01 -1.22 -5.05 114.94 113.56 3d6x s ASN 99 Ca -0.02 -0.71 -0.21 0.00 -0.71 0.00 0.00 52.86 51.21 3d6x s ASN 99 Cb 0.00 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 3d6x s ASN 99 CO 0.03 0.01 1.32 -2.84 -1.51 0.00 0.00 177.10 174.11 3d6x s PRO 100 N -2.06 3.09 -0.11 -0.60 0.02 -1.26 -4.82 135.00 129.25 3d6x s PRO 100 Ca 0.07 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 3d6x s PRO 100 Cb -0.09 -2.17 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 3d6x s PRO 100 CO 0.04 -1.20 -0.06 0.08 -0.33 0.00 0.00 177.00 175.53 3d6x s VAL 101 N -1.36 3.70 0.16 3.83 1.01 -1.26 -5.03 120.40 121.43 3d6x s VAL 101 Ca 0.73 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.32 3d6x s VAL 101 Cb -0.38 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3d6x s VAL 101 CO 0.44 0.55 -0.13 -0.13 0.00 0.00 0.00 175.10 175.82 3d6x s ARG 102 N -0.18 1.14 0.23 2.72 0.52 -1.26 -0.88 118.95 121.23 3d6x s ARG 102 Ca 0.02 -1.41 -0.30 0.00 -0.52 0.00 0.00 55.73 53.52 3d6x s ARG 102 Cb -0.13 -0.91 -0.15 0.00 0.52 0.00 0.00 34.95 34.28 3d6x s ARG 102 CO 0.03 0.15 1.06 -2.30 0.02 0.00 0.00 175.30 174.26 3d6x n PRO 103 N 0.05 1.19 0.00 3.54 -0.02 -1.26 -1.38 135.00 137.13 3d6x n PRO 103 Ca -0.12 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3d6x n PRO 103 Cb 0.59 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.67 2.82 3.75 -1.23 0.00 0.19 -4.95 105.19 107.44 3d6x n GLY 104 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.53 7.53 -0.32 1.61 -0.00 -0.48 -4.90 116.67 119.59 3d6x s ASP 105 Ca 0.00 2.01 -0.22 0.00 -0.00 0.00 0.00 52.55 54.34 3d6x s ASP 105 Cb 0.00 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.92 40.31 3d6x s ASP 105 CO 0.00 0.05 0.71 -0.60 -0.00 0.00 0.00 175.17 175.33 3d6x s ARG 106 N -1.06 3.88 -0.49 8.23 3.52 -1.26 -1.76 118.95 130.02 3d6x s ARG 106 Ca 0.43 0.39 -0.20 0.00 -0.13 0.00 0.00 55.73 56.21 3d6x s ARG 106 Cb -0.27 -3.75 0.04 0.00 -1.56 0.00 0.00 34.95 29.41 3d6x s ARG 106 CO 0.34 -0.67 0.67 -1.17 -0.81 0.00 0.00 175.30 173.66 3d6x s LEU 107 N 2.83 4.68 -0.18 -0.88 2.96 -0.13 -4.41 118.68 123.54 3d6x s LEU 107 Ca 0.29 -0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 3d6x s LEU 107 Cb -0.14 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3d6x s LEU 107 CO 0.13 -0.89 0.64 -1.81 -1.32 0.00 0.00 176.35 173.10 3d6x s ASP 108 N 2.43 6.73 -0.09 3.68 1.01 0.12 -1.33 116.67 129.22 3d6x s ASP 108 Ca 0.20 0.88 -0.05 0.00 0.71 0.00 0.00 52.55 54.29 3d6x s ASP 108 Cb -0.16 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3d6x s ASP 108 CO 0.15 -0.24 0.13 -0.31 0.21 0.00 0.00 175.17 175.11 3d6x s TYR 109 N 1.72 3.53 0.33 4.23 1.51 0.25 -0.26 117.35 128.67 3d6x s TYR 109 Ca 0.30 0.45 0.04 0.00 -1.01 0.00 0.00 57.07 56.85 3d6x s TYR 109 Cb -0.16 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3d6x s TYR 109 CO 0.11 0.69 0.15 -1.21 -1.11 0.00 0.00 175.55 174.18 3d6x s GLU 110 N -1.19 1.69 -0.25 -0.62 2.02 0.07 -2.32 118.70 118.11 3d6x s GLU 110 Ca 0.17 -1.98 -0.28 0.00 0.02 0.00 0.00 54.97 52.89 3d6x s GLU 110 Cb -0.12 -0.25 0.16 0.00 0.10 0.00 0.00 34.13 34.03 3d6x s GLU 110 CO 0.07 -0.45 1.23 -1.54 0.02 0.00 0.00 175.26 174.58 3d6x s SER 112 N -3.44 -0.19 -0.22 -0.19 1.04 -0.26 -1.30 113.70 109.14 3d6x s SER 112 Ca 0.33 0.25 -0.29 0.00 0.48 0.00 0.00 55.95 56.72 3d6x s SER 112 Cb 0.04 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 3d6x s SER 112 CO 0.17 -0.14 1.22 -0.69 0.98 0.00 0.00 173.24 174.78 3d6x s VAL 113 N -0.75 4.34 -0.14 5.02 1.01 0.04 -0.24 120.40 129.68 3d6x s VAL 113 Ca 0.05 1.59 0.10 0.00 0.00 0.00 0.00 61.98 63.72 3d6x s VAL 113 Cb -0.02 -4.11 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 3d6x s VAL 113 CO -0.06 -0.24 0.30 1.33 0.00 0.00 0.00 175.10 176.43 3d6x n VAL 114 N 5.58 1.54 -3.82 2.92 0.24 0.14 -4.90 118.33 120.04 3d6x n VAL 114 Ca 0.14 -0.77 -0.12 0.00 -2.04 0.00 0.00 64.34 61.55 3d6x n VAL 114 Cb 0.46 -0.98 -0.11 0.00 -1.47 0.00 0.00 33.84 31.73 3d6x n VAL 114 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3d6x s LYS 115 N -2.54 0.38 -0.04 7.34 2.20 -1.06 -5.01 119.74 121.01 3d6x s LYS 115 Ca -0.13 -0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 3d6x s LYS 115 Cb 0.07 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.59 3d6x s LYS 115 CO 0.79 -0.08 0.02 1.21 -0.36 0.00 0.00 175.35 176.93 3d6x s ASN 116 N -0.60 0.83 -0.19 1.43 3.84 -1.26 -1.43 114.94 117.56 3d6x s ASN 116 Ca -0.07 0.00 -0.05 0.00 0.21 0.00 0.00 52.86 52.96 3d6x s ASN 116 Cb -0.04 -0.22 0.07 0.00 -0.55 0.00 0.00 41.25 40.51 3d6x s ASN 116 CO 0.01 -0.17 0.14 -0.60 -2.79 0.00 0.00 177.10 173.70 3d6x s ARG 117 N 1.55 0.11 1.37 0.43 3.52 -1.26 -5.03 118.95 119.64 3d6x s ARG 117 Ca -0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3d6x s ARG 117 Cb -0.13 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 3d6x s ARG 117 CO -0.03 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.18 3d6x n GLY 118 N 5.29 2.05 3.02 8.12 0.00 -1.26 -4.76 105.19 117.65 3d6x n GLY 118 Ca -0.06 0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 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 4.81 5.57 0.00 1.61 6.94 -1.26 -5.01 115.26 127.92 3d6x n ASN 119 Ca 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 3d6x n ASN 119 Cb 0.00 -1.42 0.00 0.00 -2.36 0.00 0.00 39.78 36.00 3d6x n ASN 119 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 3d6x n TRP 121 N 3.17 0.00 -3.94 -2.53 7.02 -0.37 -0.75 117.44 120.04 3d6x n TRP 121 Ca 0.34 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.57 3d6x n TRP 121 Cb 0.36 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.30 0.76 0.02 -0.99 1.01 -0.52 -0.79 121.20 119.40 3d6x s ILE 122 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.57 3d6x s ILE 122 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3d6x s ILE 122 CO 0.00 0.32 -0.16 -0.36 0.00 0.00 0.00 174.94 174.73 3d6x s PHE 123 N 1.64 2.61 -0.21 3.97 0.40 0.31 0.29 117.98 126.98 3d6x s PHE 123 Ca 0.02 -0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 55.95 3d6x s PHE 123 Cb -0.13 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 3d6x s PHE 123 CO -0.05 0.25 0.48 0.21 0.70 0.00 0.00 175.22 176.80 3d6x s LYS 124 N -1.31 4.16 0.04 0.44 2.20 0.67 -1.03 119.74 124.91 3d6x s LYS 124 Ca 0.14 0.33 0.09 0.00 -0.36 0.00 0.00 55.97 56.17 3d6x s LYS 124 Cb -0.11 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3d6x s LYS 124 CO 0.05 -0.15 -0.26 0.20 -0.36 0.00 0.00 175.35 174.83 3d6x s GLY 125 N 1.20 1.36 -0.07 5.54 0.00 0.59 -1.10 107.32 114.84 3d6x s GLY 125 Ca 0.22 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 3d6x s GLY 125 CO 0.09 -1.11 0.20 1.20 0.00 0.00 0.00 173.10 173.48 3d6x s GLN 126 N -1.16 0.23 0.01 2.90 -0.21 -0.42 -1.40 119.66 119.61 3d6x s GLN 126 Ca 0.11 0.29 0.08 0.00 0.02 0.00 0.00 55.36 55.86 3d6x s GLN 126 Cb -0.10 0.10 -0.03 0.00 1.00 0.00 0.00 33.01 33.98 3d6x s GLN 126 CO 0.02 -0.04 -0.25 0.00 -2.12 0.00 0.00 175.29 172.90 3d6x s ALA 127 N 0.17 2.27 0.12 6.09 0.00 -0.03 -0.75 121.76 129.63 3d6x s ALA 127 Ca -0.01 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.82 3d6x s ALA 127 Cb -0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3d6x s ALA 127 CO -0.00 0.54 -0.11 -0.06 0.00 0.00 0.00 175.76 176.12 3d6x s PHE 128 N -0.73 1.24 -0.11 0.00 0.40 0.64 -0.42 117.98 119.00 3d6x s PHE 128 Ca 0.11 -0.65 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3d6x s PHE 128 Cb -0.10 -0.65 0.04 0.00 0.51 0.00 0.00 43.02 42.82 3d6x s PHE 128 CO 0.01 0.08 0.07 0.08 0.70 0.00 0.00 175.22 176.16 3d6x s VAL 129 N -2.62 -0.09 -1.55 -0.44 1.01 -0.51 0.12 120.40 116.33 3d6x s VAL 129 Ca 0.10 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 3d6x s VAL 129 Cb -0.02 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 36.11 3d6x s VAL 129 CO 0.01 -0.05 0.79 0.47 0.00 0.00 0.00 175.10 176.32 3d6x n ASP 130 N 5.29 -3.97 0.00 3.32 8.00 -1.26 -1.19 116.55 126.73 3d6x n ASP 130 Ca -0.05 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3d6x n ASP 130 Cb 0.49 -3.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 3d6x n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d6x n GLY 131 N -1.44 0.66 3.64 0.44 0.00 -1.26 -5.02 105.19 102.22 3d6x n GLY 131 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.31 6.18 0.17 1.61 0.02 -0.33 -5.04 114.94 115.24 3d6x s ASN 132 Ca 0.00 0.20 -0.32 0.00 -1.02 0.00 0.00 52.86 51.72 3d6x s ASN 132 Cb 0.00 -2.15 -0.11 0.00 0.02 0.00 0.00 41.25 39.01 3d6x s ASN 132 CO 0.00 -0.02 1.70 -0.22 0.02 0.00 0.00 177.10 178.58 3d6x s LEU 133 N 1.39 4.38 -0.05 0.60 2.96 -1.26 -1.42 118.68 125.27 3d6x s LEU 133 Ca 0.11 2.75 0.06 0.00 -0.22 0.00 0.00 54.13 56.82 3d6x s LEU 133 Cb -0.15 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3d6x s LEU 133 CO 0.07 -0.93 0.04 1.33 -1.32 0.00 0.00 176.35 175.54 3d6x n VAL 134 N 4.19 0.36 -3.53 1.68 0.24 0.44 -4.40 118.33 117.30 3d6x n VAL 134 Ca 0.16 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 3d6x n VAL 134 Cb 0.37 -0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 32.03 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 -2.19 -1.28 0.06 2.33 0.00 -1.18 0.82 121.76 120.31 3d6x s ALA 135 Ca -0.03 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.00 3d6x s ALA 135 Cb 0.02 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.92 3d6x s ALA 135 CO 0.25 -0.68 0.50 -1.83 0.00 0.00 0.00 175.76 174.01 3d6x s GLU 136 N -3.57 1.04 -0.12 0.00 -1.05 -0.69 -0.85 118.70 113.46 3d6x s GLU 136 Ca 0.01 -0.30 -0.31 0.00 -0.15 0.00 0.00 54.97 54.21 3d6x s GLU 136 Cb 0.00 0.47 0.13 0.00 -0.44 0.00 0.00 34.13 34.29 3d6x s GLU 136 CO -0.11 -0.38 1.04 0.00 0.95 0.00 0.00 175.26 176.76 3d6x s ALA 137 N -2.65 -1.94 -0.24 -0.84 0.00 -0.49 -0.37 121.76 115.22 3d6x s ALA 137 Ca -0.04 1.40 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 3d6x s ALA 137 Cb -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 3d6x s ALA 137 CO -0.03 -0.52 0.21 -1.21 0.00 0.00 0.00 175.76 174.20 3d6x s GLU 138 N -2.20 4.06 -0.15 0.00 2.02 -0.00 -0.30 118.70 122.13 3d6x s GLU 138 Ca 0.04 -0.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 3d6x s GLU 138 Cb -0.01 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 3d6x s GLU 138 CO -0.05 -0.01 -0.06 -0.51 0.02 0.00 0.00 175.26 174.66 3d6x s LEU 139 N 1.26 3.15 -0.15 1.80 2.01 -0.20 -0.84 118.68 125.71 3d6x s LEU 139 Ca 0.09 -0.16 -0.07 0.00 0.01 0.00 0.00 54.13 54.01 3d6x s LEU 139 Cb -0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.27 3d6x s LEU 139 CO 0.06 0.18 0.07 -0.75 1.01 0.00 0.00 176.35 176.92 3d6x s LYS 140 N 0.31 3.69 0.00 1.70 2.20 -0.08 -0.53 119.74 127.03 3d6x s LYS 140 Ca -0.05 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 3d6x s LYS 140 Cb -0.14 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3d6x s LYS 140 CO 0.03 0.48 0.00 0.00 -0.36 0.00 0.00 175.35 175.50 3d6x n ALA 141 N 2.90 0.00 -3.49 3.13 0.00 0.03 -1.41 120.51 121.68 3d6x n ALA 141 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 3d6x n ALA 141 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3d6x n ALA 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3d6x s ILE 143 N -0.21 -0.83 0.11 0.00 2.07 0.08 -1.24 121.20 121.18 3d6x s ILE 143 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3d6x s ILE 143 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3d6x s ILE 143 CO 0.00 0.00 -0.01 0.68 -1.91 0.00 0.00 174.94 173.70 3d6x s VAL 144 N 2.77 0.41 -2.35 4.00 -7.23 -0.31 -4.76 120.40 112.92 3d6x s VAL 144 Ca -0.01 -1.90 0.29 0.00 -1.81 0.00 0.00 61.98 58.55 3d6x s VAL 144 Cb -0.11 -1.81 0.66 0.00 0.56 0.00 0.00 36.38 35.68 3d6x s VAL 144 CO -0.18 -0.73 1.89 -0.90 -0.31 0.00 0.00 175.10 174.87