#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4r s THR 9 N 0.00 3.11 -0.54 0.00 -1.32 0.14 -4.60 115.64 112.43 1b4r s THR 9 Ca 0.00 0.67 -0.26 0.00 -1.21 0.00 0.00 61.69 60.89 1b4r s THR 9 Cb 0.00 -3.26 0.03 0.00 -1.51 0.00 0.00 72.50 67.77 1b4r s THR 9 CO 0.00 -0.16 1.05 -0.76 -2.21 0.00 0.00 174.62 172.53 1b4r s LEU 10 N -3.92 3.80 -0.40 9.08 1.02 -1.26 -1.66 118.68 125.34 1b4r s LEU 10 Ca 0.73 -0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.90 1b4r s LEU 10 Cb -0.24 -3.10 0.11 0.00 0.02 0.00 0.00 46.19 42.98 1b4r s LEU 10 CO 0.29 -1.29 0.13 -0.69 0.02 0.00 0.00 176.35 174.81 1b4r s VAL 11 N 4.32 2.30 -0.79 -1.59 1.01 -0.26 -5.00 120.40 120.40 1b4r s VAL 11 Ca 0.38 -2.65 0.02 0.00 0.00 0.00 0.00 61.98 59.73 1b4r s VAL 11 Cb -0.10 -2.66 0.19 0.00 0.00 0.00 0.00 36.38 33.81 1b4r s VAL 11 CO 0.24 -0.68 0.62 -0.83 0.00 0.00 0.00 175.10 174.46 1b4r s GLY 12 N 0.50 3.02 0.46 4.51 0.00 -1.26 0.45 107.32 115.00 1b4r s GLY 12 Ca 0.13 -3.86 -0.22 0.00 0.00 0.00 0.00 44.72 40.77 1b4r s GLY 12 CO -0.06 1.13 1.11 2.56 0.00 0.00 0.00 173.10 177.84 1b4r s PRO 13 N -1.45 3.79 0.00 2.90 0.04 -0.53 -4.62 135.00 135.13 1b4r s PRO 13 Ca 0.26 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1b4r s PRO 13 Cb -0.05 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1b4r s PRO 13 CO -0.15 -0.49 0.00 1.58 0.04 0.00 0.00 177.00 177.98 1b4r n HIS 14 N -0.62 0.00 0.00 0.56 -0.00 -1.26 -1.70 115.22 112.20 1b4r n HIS 14 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1b4r n HIS 14 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1b4r n GLY 15 N 0.00 0.77 3.80 1.57 0.00 -1.26 -4.95 105.19 105.12 1b4r n GLY 15 Ca 0.00 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 1b4r n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4r s PRO 16 N 0.00 4.10 -0.37 1.61 0.04 -1.26 -5.03 135.00 134.10 1b4r s PRO 16 Ca 0.00 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 1b4r s PRO 16 Cb 0.00 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1b4r s PRO 16 CO 0.00 -0.16 0.19 -0.51 0.04 0.00 0.00 177.00 176.55 1b4r s LEU 17 N -3.03 4.66 0.47 -3.56 2.01 -1.26 -5.06 118.68 112.91 1b4r s LEU 17 Ca 0.62 -1.05 -0.04 0.00 0.01 0.00 0.00 54.13 53.67 1b4r s LEU 17 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 46.19 44.03 1b4r s LEU 17 CO 0.20 -0.38 0.74 0.00 1.01 0.00 0.00 176.35 177.92 1b4r s ALA 18 N 1.52 3.48 -0.09 4.21 0.00 -1.26 -1.17 121.76 128.44 1b4r s ALA 18 Ca 0.01 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 1b4r s ALA 18 Cb -0.19 -2.45 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 1b4r s ALA 18 CO 0.06 -0.35 2.03 0.45 0.00 0.00 0.00 175.76 177.94 1b4r n SER 19 N -2.20 3.58 -0.38 0.00 2.88 0.10 -2.17 113.62 115.44 1b4r n SER 19 Ca 0.00 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1b4r n SER 19 Cb 0.56 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1b4r n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b4r n GLY 20 N 4.98 0.74 3.39 0.46 0.00 -0.29 -4.93 105.19 109.54 1b4r n GLY 20 Ca 0.25 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1b4r n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b4r s GLN 21 N -2.08 1.41 -0.49 1.61 -1.52 0.90 -4.95 119.66 114.55 1b4r s GLN 21 Ca 0.00 -1.43 -0.08 0.00 -1.95 0.00 0.00 55.36 51.90 1b4r s GLN 21 Cb 0.00 -1.74 0.13 0.00 -0.22 0.00 0.00 33.01 31.17 1b4r s GLN 21 CO 0.00 0.39 0.36 -1.17 -0.25 0.00 0.00 175.29 174.61 1b4r s LEU 22 N -2.44 5.68 0.49 2.90 1.98 -1.26 -1.07 118.68 124.97 1b4r s LEU 22 Ca 0.17 -2.01 -0.17 0.00 -2.89 0.00 0.00 54.13 49.23 1b4r s LEU 22 Cb -0.08 -2.00 -0.08 0.00 0.66 0.00 0.00 46.19 44.69 1b4r s LEU 22 CO 0.08 -0.66 0.97 0.00 -1.89 0.00 0.00 176.35 174.85 1b4r s ALA 23 N 1.21 3.08 -0.16 5.97 0.00 0.12 -4.85 121.76 127.13 1b4r s ALA 23 Ca 0.07 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 1b4r s ALA 23 Cb -0.25 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1b4r s ALA 23 CO -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 175.76 175.44 1b4r s ALA 24 N -2.54 2.52 0.45 0.00 0.00 -0.69 0.38 121.76 121.88 1b4r s ALA 24 Ca 0.59 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1b4r s ALA 24 Cb -0.10 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1b4r s ALA 24 CO 0.28 -0.05 0.24 -0.06 0.00 0.00 0.00 175.76 176.17 1b4r s PHE 25 N 0.85 2.36 -0.23 0.00 0.40 0.69 -1.45 117.98 120.59 1b4r s PHE 25 Ca -0.04 -0.66 -0.29 0.00 -0.60 0.00 0.00 56.93 55.34 1b4r s PHE 25 Cb -0.15 -1.95 0.16 0.00 0.51 0.00 0.00 43.02 41.59 1b4r s PHE 25 CO -0.01 0.01 1.19 -3.38 0.70 0.00 0.00 175.22 173.74 1b4r s HIS 26 N -2.64 -0.21 0.22 0.36 -3.43 0.17 -1.36 115.29 108.41 1b4r s HIS 26 Ca 0.38 0.38 0.08 0.00 -0.80 0.00 0.00 55.06 55.10 1b4r s HIS 26 Cb 0.01 0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 1b4r s HIS 26 CO 0.21 -0.17 0.02 0.42 -2.00 0.00 0.00 174.74 173.22 1b4r s ILE 27 N -0.88 3.69 -0.09 -5.38 -1.09 0.81 -1.10 121.20 117.16 1b4r s ILE 27 Ca 0.04 -1.63 -0.00 0.00 -2.23 0.00 0.00 60.65 56.83 1b4r s ILE 27 Cb -0.01 -2.92 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 1b4r s ILE 27 CO -0.04 -0.25 -0.04 0.00 -1.23 0.00 0.00 174.94 173.37 1b4r s ALA 28 N -2.02 1.00 0.00 9.38 0.00 -0.66 -4.82 121.76 124.63 1b4r s ALA 28 Ca 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1b4r s ALA 28 Cb -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1b4r s ALA 28 CO 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 175.76 175.60 1b4r n ALA 29 N 4.86 0.00 -2.17 0.00 0.00 -1.26 0.27 120.51 122.21 1b4r n ALA 29 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 1b4r n ALA 29 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1b4r n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b4r n PRO 30 N 0.00 2.69 -0.30 0.00 -0.04 -1.26 -4.83 135.00 131.26 1b4r n PRO 30 Ca 0.00 -2.86 -0.03 0.00 -0.04 0.00 0.00 63.50 60.57 1b4r n PRO 30 Cb 0.00 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 1b4r n PRO 30 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b4r n LEU 31 N 8.85 -0.59 -4.16 1.53 4.32 -1.26 -2.44 117.00 123.25 1b4r n LEU 31 Ca 0.49 1.36 -0.43 0.00 -0.02 0.00 0.00 56.01 57.41 1b4r n LEU 31 Cb 0.44 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1b4r n LEU 31 CO 0.81 -1.19 2.32 -0.81 -1.22 0.00 0.00 177.39 177.30 1b4r n PRO 32 N -5.09 3.04 -4.08 3.23 -0.04 -1.26 -4.94 135.00 125.85 1b4r n PRO 32 Ca 0.06 -2.96 -0.31 0.00 -0.04 0.00 0.00 63.50 60.25 1b4r n PRO 32 Cb 0.28 -3.39 -0.07 0.00 -0.04 0.00 0.00 33.50 30.28 1b4r n PRO 32 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1b4r s VAL 33 N 3.68 4.45 -0.05 0.52 1.01 -1.02 -4.97 120.40 124.01 1b4r s VAL 33 Ca 0.50 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1b4r s VAL 33 Cb 0.09 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1b4r s VAL 33 CO -0.00 0.16 0.03 0.35 0.00 0.00 0.00 175.10 175.64 1b4r n THR 34 N 0.60 0.33 -3.62 3.92 -2.24 -1.26 -4.37 114.28 107.65 1b4r n THR 34 Ca -0.10 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1b4r n THR 34 Cb 0.52 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1b4r n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4r s ALA 35 N -2.16 -1.66 0.13 6.98 0.00 -1.26 -1.22 121.76 122.56 1b4r s ALA 35 Ca -0.03 1.68 0.06 0.00 0.00 0.00 0.00 51.96 53.67 1b4r s ALA 35 Cb 0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1b4r s ALA 35 CO 0.23 -0.33 -0.13 -0.08 0.00 0.00 0.00 175.76 175.45 1b4r s THR 36 N -0.13 1.28 -0.30 0.00 -1.32 -0.52 -1.58 115.64 113.07 1b4r s THR 36 Ca -0.03 -1.77 0.03 0.00 -1.21 0.00 0.00 61.69 58.70 1b4r s THR 36 Cb -0.03 -1.56 0.08 0.00 -1.51 0.00 0.00 72.50 69.48 1b4r s THR 36 CO 0.04 -0.48 0.00 -0.60 -2.21 0.00 0.00 174.62 171.37 1b4r s ARG 37 N -2.85 1.56 0.82 7.08 3.52 0.57 -0.75 118.95 128.91 1b4r s ARG 37 Ca 0.10 -1.49 -0.05 0.00 -0.13 0.00 0.00 55.73 54.16 1b4r s ARG 37 Cb -0.04 -2.86 0.17 0.00 -1.56 0.00 0.00 34.95 30.67 1b4r s ARG 37 CO 0.03 -0.80 1.12 -1.58 -0.81 0.00 0.00 175.30 173.26 1b4r s TRP 38 N 1.14 1.24 -0.27 5.12 0.52 0.59 -0.24 118.94 127.03 1b4r s TRP 38 Ca 0.03 -0.22 -0.00 0.00 0.02 0.00 0.00 56.10 55.93 1b4r s TRP 38 Cb -0.19 -3.35 0.14 0.00 -1.15 0.00 0.00 33.47 28.92 1b4r s TRP 38 CO -0.09 -2.16 0.36 -0.51 0.02 0.00 0.00 176.95 174.57 1b4r s ASP 39 N -4.86 0.75 -0.03 2.95 1.01 0.15 0.43 116.67 117.08 1b4r s ASP 39 Ca 0.71 -0.32 -0.00 0.00 0.71 0.00 0.00 52.55 53.64 1b4r s ASP 39 Cb -0.03 0.91 -0.00 0.00 1.01 0.00 0.00 42.92 44.80 1b4r s ASP 39 CO 0.48 -0.35 -0.01 -0.26 0.21 0.00 0.00 175.17 175.24 1b4r h PHE 40 N 8.20 0.00 0.00 4.23 0.04 -1.13 -2.64 116.94 125.64 1b4r h PHE 40 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1b4r h PHE 40 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1b4r h PHE 40 CO 0.23 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 1b4r n GLY 41 N 1.91 0.85 2.20 -1.45 0.00 -0.63 -4.27 105.19 103.80 1b4r n GLY 41 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1b4r n GLY 41 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4r n ASP 42 N 0.00 5.84 0.00 1.61 5.68 -1.26 -4.73 116.55 123.69 1b4r n ASP 42 Ca 0.00 -3.59 0.00 0.00 -0.50 0.00 0.00 54.79 50.70 1b4r n ASP 42 Cb 0.00 -0.91 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 1b4r n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4r n GLY 43 N -0.85 2.95 3.23 6.12 0.00 -1.26 -4.80 105.19 110.58 1b4r n GLY 43 Ca 0.57 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1b4r n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b4r s SER 44 N -0.02 5.64 0.00 1.61 1.04 -1.26 -5.01 113.70 115.71 1b4r s SER 44 Ca 0.00 -1.77 0.00 0.00 0.48 0.00 0.00 55.95 54.66 1b4r s SER 44 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1b4r s SER 44 CO 0.00 -0.63 0.00 0.00 0.98 0.00 0.00 173.24 173.59 1b4r n ALA 45 N 4.89 0.00 -1.58 5.32 0.00 -1.26 -1.60 120.51 126.28 1b4r n ALA 45 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 1b4r n ALA 45 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 1b4r n ALA 45 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b4r n GLU 46 N -0.00 1.10 -3.71 0.00 0.28 -1.26 -1.33 120.64 115.72 1b4r n GLU 46 Ca 0.00 0.40 -0.27 0.00 -0.16 0.00 0.00 57.16 57.13 1b4r n GLU 46 Cb 0.00 -1.98 -0.17 0.00 1.43 0.00 0.00 31.44 30.72 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b4r s VAL 47 N -1.39 0.37 -0.49 3.84 1.01 0.17 -4.78 120.40 119.13 1b4r s VAL 47 Ca 0.66 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 1b4r s VAL 47 Cb -0.52 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1b4r s VAL 47 CO 0.55 -0.19 0.71 -1.81 0.00 0.00 0.00 175.10 174.36 1b4r s ASP 48 N 1.93 6.30 0.35 3.32 1.01 -1.26 -0.30 116.67 128.02 1b4r s ASP 48 Ca 0.00 -0.54 0.09 0.00 0.71 0.00 0.00 52.55 52.82 1b4r s ASP 48 Cb -0.16 -2.34 -0.07 0.00 1.01 0.00 0.00 42.92 41.36 1b4r s ASP 48 CO -0.08 -0.93 -0.08 0.00 0.21 0.00 0.00 175.17 174.29 1b4r s ALA 49 N 3.04 2.99 0.16 5.23 0.00 0.07 -4.99 121.76 128.25 1b4r s ALA 49 Ca 0.22 -2.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.04 1b4r s ALA 49 Cb -0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1b4r s ALA 49 CO 0.17 0.05 0.35 0.00 0.00 0.00 0.00 175.76 176.33 1b4r s ALA 50 N -2.63 3.85 0.00 0.00 0.00 -1.25 -1.44 121.76 120.29 1b4r s ALA 50 Ca 0.33 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1b4r s ALA 50 Cb 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1b4r s ALA 50 CO 0.17 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.90 1b4r n GLY 51 N -0.30 0.73 1.93 0.00 0.00 -0.35 -1.97 105.19 105.22 1b4r n GLY 51 Ca -0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1b4r n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b4r n PRO 52 N 0.00 1.82 -4.09 1.61 -0.04 -1.26 -2.55 135.00 130.48 1b4r n PRO 52 Ca 0.00 -1.54 -0.08 0.00 -0.04 0.00 0.00 63.50 61.84 1b4r n PRO 52 Cb 0.00 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 1b4r n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b4r s ALA 53 N -1.67 0.54 0.00 0.55 0.00 -0.83 -0.13 121.76 120.21 1b4r s ALA 53 Ca 0.32 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1b4r s ALA 53 Cb 0.24 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1b4r s ALA 53 CO -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 175.76 175.40 1b4r n ALA 54 N 0.20 0.00 -3.47 0.00 0.00 -0.46 -3.85 120.51 112.94 1b4r n ALA 54 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1b4r n ALA 54 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 1b4r n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b4r s SER 55 N -0.11 -0.57 0.00 0.00 1.04 -1.26 -0.22 113.70 112.57 1b4r s SER 55 Ca 0.00 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 1b4r s SER 55 Cb 0.00 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 1b4r s SER 55 CO 0.00 -0.36 0.13 -1.00 0.98 0.00 0.00 173.24 172.99 1b4r s HIS 56 N -0.36 3.40 -0.54 5.02 3.76 0.16 -4.85 115.29 121.89 1b4r s HIS 56 Ca -0.05 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.15 1b4r s HIS 56 Cb -0.03 -1.77 0.14 0.00 1.11 0.00 0.00 32.58 32.03 1b4r s HIS 56 CO 0.04 0.59 0.29 -0.98 -0.85 0.00 0.00 174.74 173.84 1b4r s ARG 57 N -1.90 2.10 -0.14 1.40 1.70 -1.26 0.13 118.95 120.98 1b4r s ARG 57 Ca 0.26 -2.58 -0.17 0.00 -0.47 0.00 0.00 55.73 52.76 1b4r s ARG 57 Cb -0.12 -3.41 -0.04 0.00 -0.57 0.00 0.00 34.95 30.80 1b4r s ARG 57 CO 0.17 -1.12 0.45 0.71 -1.08 0.00 0.00 175.30 174.43 1b4r s TYR 58 N -0.20 3.47 -0.02 5.89 2.02 -0.23 -4.82 117.35 123.46 1b4r s TYR 58 Ca 0.17 0.81 0.02 0.00 -0.37 0.00 0.00 57.07 57.70 1b4r s TYR 58 Cb -0.24 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 38.75 1b4r s TYR 58 CO -0.01 0.12 0.02 1.55 -1.57 0.00 0.00 175.55 175.66 1b4r n VAL 59 N 3.85 0.13 -3.98 0.71 3.14 -1.26 -0.07 118.33 120.84 1b4r n VAL 59 Ca -0.07 -0.09 -0.33 0.00 -2.96 0.00 0.00 64.34 60.88 1b4r n VAL 59 Cb 0.51 -0.64 -0.06 0.00 -1.06 0.00 0.00 33.84 32.60 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1b4r s LEU 60 N -3.96 4.18 -0.16 6.55 0.20 -1.26 -2.93 118.68 121.30 1b4r s LEU 60 Ca -0.01 0.25 -0.29 0.00 0.69 0.00 0.00 54.13 54.77 1b4r s LEU 60 Cb 0.01 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.24 1b4r s LEU 60 CO 0.10 0.25 1.14 -2.16 -0.29 0.00 0.00 176.35 175.39 1b4r s PRO 61 N -1.94 4.29 0.00 0.98 0.04 -1.26 -4.73 135.00 132.38 1b4r s PRO 61 Ca 0.27 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1b4r s PRO 61 Cb -0.12 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1b4r s PRO 61 CO 0.18 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1b4r n GLY 62 N 3.39 -0.79 3.47 0.56 0.00 0.11 -4.93 105.19 107.00 1b4r n GLY 62 Ca 0.12 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1b4r n GLY 62 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b4r s ARG 63 N -1.76 3.69 0.10 1.61 3.52 -1.26 0.24 118.95 125.10 1b4r s ARG 63 Ca 0.00 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1b4r s ARG 63 Cb 0.00 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1b4r s ARG 63 CO 0.00 -0.13 0.13 0.71 -0.81 0.00 0.00 175.30 175.19 1b4r s TYR 64 N 1.46 3.26 -0.20 5.12 1.51 0.17 -4.91 117.35 123.77 1b4r s TYR 64 Ca 0.06 0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.16 1b4r s TYR 64 Cb -0.15 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1b4r s TYR 64 CO 0.04 0.53 -0.00 -1.58 -1.11 0.00 0.00 175.55 173.43 1b4r s HIS 65 N -1.50 3.05 0.12 2.71 5.65 -1.26 -1.28 115.29 122.77 1b4r s HIS 65 Ca 0.31 -0.42 0.05 0.00 0.25 0.00 0.00 55.06 55.25 1b4r s HIS 65 Cb -0.12 -2.07 -0.04 0.00 -1.18 0.00 0.00 32.58 29.17 1b4r s HIS 65 CO 0.24 -0.21 0.03 0.08 -0.65 0.00 0.00 174.74 174.23 1b4r s VAL 66 N 0.92 4.09 0.09 0.89 1.01 0.11 -4.57 120.40 122.94 1b4r s VAL 66 Ca 0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1b4r s VAL 66 Cb -0.14 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1b4r s VAL 66 CO 0.02 0.04 0.29 0.42 0.00 0.00 0.00 175.10 175.87 1b4r s THR 67 N -1.46 0.10 0.05 3.92 -4.23 -1.00 0.17 115.64 113.20 1b4r s THR 67 Ca 0.27 -0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 59.78 1b4r s THR 67 Cb -0.11 -1.16 0.03 0.00 1.34 0.00 0.00 72.50 72.59 1b4r s THR 67 CO 0.20 -0.47 0.34 0.00 -0.54 0.00 0.00 174.62 174.15 1b4r s ALA 68 N -3.43 -0.80 -0.24 3.99 0.00 -0.53 0.29 121.76 121.04 1b4r s ALA 68 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 1b4r s ALA 68 Cb 0.02 0.36 0.12 0.00 0.00 0.00 0.00 23.12 23.62 1b4r s ALA 68 CO -0.09 -0.45 0.31 0.54 0.00 0.00 0.00 175.76 176.07 1b4r s VAL 69 N -2.64 -0.47 0.26 0.00 0.11 0.67 0.43 120.40 118.77 1b4r s VAL 69 Ca -0.04 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.73 1b4r s VAL 69 Cb -0.01 -0.80 -0.08 0.00 -1.53 0.00 0.00 36.38 33.97 1b4r s VAL 69 CO -0.04 -0.21 0.61 -0.76 -3.33 0.00 0.00 175.10 171.37 1b4r s LEU 70 N 2.43 4.13 -0.09 2.54 1.43 -0.15 -0.31 118.68 128.67 1b4r s LEU 70 Ca 0.10 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1b4r s LEU 70 Cb -0.15 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.28 1b4r s LEU 70 CO -0.18 -0.12 -0.03 0.00 0.23 0.00 0.00 176.35 176.26 1b4r s ALA 71 N -1.87 0.95 -0.36 4.21 0.00 -0.62 -2.86 121.76 121.21 1b4r s ALA 71 Ca 0.50 -0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.26 1b4r s ALA 71 Cb -0.11 -0.81 -0.12 0.00 0.00 0.00 0.00 23.12 22.08 1b4r s ALA 71 CO 0.20 -0.44 0.37 1.28 0.00 0.00 0.00 175.76 177.16 1b4r n LEU 72 N 5.07 0.36 0.00 0.00 4.77 -0.07 -4.20 117.00 122.93 1b4r n LEU 72 Ca -0.09 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1b4r n LEU 72 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1b4r n LEU 72 CO 0.13 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1b4r n GLY 73 N 1.38 3.09 0.09 -0.72 0.00 -1.26 -4.61 105.19 103.16 1b4r n GLY 73 Ca 0.01 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.24 1b4r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4r n ALA 74 N 0.00 2.95 -2.91 4.61 0.00 -1.26 -5.01 120.51 118.88 1b4r n ALA 74 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1b4r n ALA 74 Cb 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1b4r n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1b4r s GLY 75 N -1.55 0.05 0.24 0.00 0.00 -1.26 -5.17 107.32 99.62 1b4r s GLY 75 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.38 1b4r s GLY 75 CO 0.29 -0.43 0.44 -1.35 0.00 0.00 0.00 173.10 172.05 1b4r s SER 76 N -1.90 -0.07 0.03 1.64 1.04 -1.26 -0.89 113.70 112.29 1b4r s SER 76 Ca -0.08 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.36 1b4r s SER 76 Cb -0.03 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1b4r s SER 76 CO -0.02 -1.10 0.11 0.00 0.98 0.00 0.00 173.24 173.21 1b4r s ALA 77 N -4.02 -0.14 0.12 5.32 0.00 -1.13 -4.85 121.76 117.07 1b4r s ALA 77 Ca 0.23 -0.46 0.10 0.00 0.00 0.00 0.00 51.96 51.82 1b4r s ALA 77 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1b4r s ALA 77 CO 0.08 -0.30 -0.24 -0.51 0.00 0.00 0.00 175.76 174.79 1b4r s LEU 78 N -2.00 2.32 0.09 0.00 1.02 -1.26 -0.98 118.68 117.88 1b4r s LEU 78 Ca -0.07 -0.73 0.02 0.00 0.02 0.00 0.00 54.13 53.37 1b4r s LEU 78 Cb -0.02 -1.04 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 1b4r s LEU 78 CO -0.03 0.11 -0.07 -0.22 0.02 0.00 0.00 176.35 176.16 1b4r s LEU 79 N -2.05 2.48 -0.39 1.79 1.98 0.17 -3.03 118.68 119.63 1b4r s LEU 79 Ca 0.11 -0.96 0.00 0.00 -2.89 0.00 0.00 54.13 50.40 1b4r s LEU 79 Cb -0.10 -0.07 0.19 0.00 0.66 0.00 0.00 46.19 46.87 1b4r s LEU 79 CO 0.05 -0.44 0.84 -0.83 -1.89 0.00 0.00 176.35 174.08 1b4r s GLY 80 N -2.88 -1.44 0.26 7.98 0.00 -1.25 -1.46 107.32 108.54 1b4r s GLY 80 Ca 0.09 0.54 0.03 0.00 0.00 0.00 0.00 44.72 45.38 1b4r s GLY 80 CO -0.04 3.96 0.23 -1.30 0.00 0.00 0.00 173.10 175.95 1b4r n THR 81 N 3.77 0.00 -3.74 0.90 -2.24 0.13 -4.89 114.28 108.21 1b4r n THR 81 Ca 0.10 -0.99 -0.13 0.00 -2.27 0.00 0.00 64.05 60.76 1b4r n THR 81 Cb 0.60 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1b4r n THR 81 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1b4r s ASP 82 N -2.54 -0.36 0.04 3.42 1.11 -1.26 0.06 116.67 117.13 1b4r s ASP 82 Ca 0.18 0.60 0.05 0.00 0.18 0.00 0.00 52.55 53.56 1b4r s ASP 82 Cb -0.01 0.66 -0.02 0.00 1.07 0.00 0.00 42.92 44.62 1b4r s ASP 82 CO 0.11 -0.24 -0.15 0.54 1.18 0.00 0.00 175.17 176.61 1b4r s VAL 83 N -0.25 1.23 -0.82 -1.27 0.11 -0.40 -4.94 120.40 114.06 1b4r s VAL 83 Ca -0.04 -1.00 -0.04 0.00 -2.93 0.00 0.00 61.98 57.97 1b4r s VAL 83 Cb -0.03 -1.09 0.21 0.00 -1.53 0.00 0.00 36.38 33.93 1b4r s VAL 83 CO 0.02 0.08 0.69 0.00 -3.33 0.00 0.00 175.10 172.56 1b4r s GLN 84 N -1.07 3.14 0.18 1.54 -2.07 -1.26 -0.65 119.66 119.47 1b4r s GLN 84 Ca 0.03 -2.98 -0.30 0.00 -1.82 0.00 0.00 55.36 50.29 1b4r s GLN 84 Cb -0.08 -3.97 -0.09 0.00 -1.09 0.00 0.00 33.01 27.79 1b4r s GLN 84 CO 0.01 -1.24 1.33 0.08 -1.32 0.00 0.00 175.29 174.15 1b4r s VAL 85 N -0.82 3.23 0.31 3.63 1.01 0.14 -4.57 120.40 123.33 1b4r s VAL 85 Ca 0.24 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.29 1b4r s VAL 85 Cb -0.12 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1b4r s VAL 85 CO -0.09 0.13 -0.00 -1.61 0.00 0.00 0.00 175.10 173.53 1b4r s GLU 86 N 0.14 2.14 0.00 2.72 0.41 -0.32 0.08 118.70 123.88 1b4r s GLU 86 Ca 0.58 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.53 1b4r s GLU 86 Cb -0.36 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1b4r s GLU 86 CO 0.37 0.23 0.31 0.00 -0.49 0.00 0.00 175.26 175.68