#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8k s ILE 2 N 0.00 1.61 -0.02 -1.44 2.07 -1.26 -4.77 121.20 117.38 1j8k s ILE 2 Ca 0.00 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1j8k s ILE 2 Cb 0.00 -2.54 -0.24 0.00 0.13 0.00 0.00 42.46 39.81 1j8k s ILE 2 CO 0.00 0.00 0.74 -0.78 -1.91 0.00 0.00 174.94 172.99 1j8k h ASP 3 N -2.55 0.11 -5.46 4.50 3.58 -1.95 -3.47 116.42 111.18 1j8k h ASP 3 Ca -0.44 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 56.76 1j8k h ASP 3 Cb 1.28 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1j8k h ASP 3 CO 0.32 1.18 -0.79 0.54 -2.88 0.00 0.00 179.24 177.61 1j8k n ARG 4 N -3.20 -2.56 -1.26 0.28 1.74 -1.26 -4.97 116.66 105.43 1j8k n ARG 4 Ca -0.16 2.18 -0.30 0.00 -0.77 0.00 0.00 57.85 58.79 1j8k n ARG 4 Cb 1.04 -4.83 0.22 0.00 -1.02 0.00 0.00 32.46 27.87 1j8k n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j8k s PRO 5 N -2.14 -0.74 -0.30 5.56 0.04 -1.26 -5.04 135.00 131.12 1j8k s PRO 5 Ca 0.16 -0.10 -0.19 0.00 0.04 0.00 0.00 61.00 60.92 1j8k s PRO 5 Cb -0.04 -1.66 0.19 0.00 0.04 0.00 0.00 34.50 33.04 1j8k s PRO 5 CO 0.73 -3.39 1.25 0.15 0.04 0.00 0.00 177.00 175.78 1j8k s LYS 6 N -5.47 0.13 0.00 4.56 1.02 -1.26 -4.96 119.74 113.76 1j8k s LYS 6 Ca 0.71 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.90 1j8k s LYS 6 Cb -0.09 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1j8k s LYS 6 CO 0.55 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1j8k n GLY 7 N 2.73 0.60 2.97 -3.33 0.00 -1.26 -4.87 105.19 102.03 1j8k n GLY 7 Ca -0.15 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 1j8k n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1j8k n LEU 8 N -0.60 -1.61 -4.18 0.99 -0.00 -1.26 -4.80 117.00 105.53 1j8k n LEU 8 Ca 0.00 -0.28 -0.11 0.00 -0.00 0.00 0.00 56.01 55.62 1j8k n LEU 8 Cb 0.35 -0.70 -0.10 0.00 -0.00 0.00 0.00 43.42 42.97 1j8k n LEU 8 CO 0.00 -2.95 -0.36 0.00 -0.00 0.00 0.00 177.39 174.08 1j8k s ALA 9 N -2.06 1.03 -0.05 1.47 0.00 0.11 -4.98 121.76 117.27 1j8k s ALA 9 Ca 0.29 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.90 1j8k s ALA 9 Cb -0.04 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1j8k s ALA 9 CO 0.30 -0.28 -0.22 -0.06 0.00 0.00 0.00 175.76 175.50 1j8k s PHE 10 N -3.68 2.50 -0.16 0.00 0.40 -1.26 -1.97 117.98 113.82 1j8k s PHE 10 Ca 0.15 -0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 55.90 1j8k s PHE 10 Cb 0.06 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 41.91 1j8k s PHE 10 CO -0.03 -0.08 -0.19 2.41 0.70 0.00 0.00 175.22 178.03 1j8k n THR 11 N 2.72 0.86 -3.70 0.64 -1.04 -0.98 -4.92 114.28 107.86 1j8k n THR 11 Ca -0.17 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 1j8k n THR 11 Cb 0.52 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.32 1j8k n THR 11 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j8k s ASP 12 N -6.27 -0.53 -0.06 8.00 -1.08 -0.97 -5.02 116.67 110.74 1j8k s ASP 12 Ca -0.22 0.96 0.05 0.00 -0.52 0.00 0.00 52.55 52.83 1j8k s ASP 12 Cb 0.08 0.91 -0.01 0.00 -1.46 0.00 0.00 42.92 42.44 1j8k s ASP 12 CO 0.29 -0.18 -0.22 0.54 0.52 0.00 0.00 175.17 176.11 1j8k s VAL 13 N 0.82 1.86 -0.05 1.11 0.11 -1.26 -0.57 120.40 122.42 1j8k s VAL 13 Ca -0.05 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 57.96 1j8k s VAL 13 Cb -0.05 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1j8k s VAL 13 CO -0.06 0.52 0.23 -0.62 -3.33 0.00 0.00 175.10 171.84 1j8k s ASP 14 N -0.03 -0.17 0.50 3.54 2.15 0.30 -4.45 116.67 118.52 1j8k s ASP 14 Ca -0.06 0.22 0.31 0.00 0.43 0.00 0.00 52.55 53.45 1j8k s ASP 14 Cb -0.14 0.38 1.43 0.00 -0.30 0.00 0.00 42.92 44.29 1j8k s ASP 14 CO 0.04 -0.24 1.81 1.62 -0.17 0.00 0.00 175.17 178.22 1j8k h VAL 15 N 4.42 0.45 -0.60 1.11 3.04 -1.82 0.11 116.25 122.96 1j8k h VAL 15 Ca -0.28 -0.04 -0.44 0.00 -1.01 0.00 0.00 66.70 64.94 1j8k h VAL 15 Cb 1.19 0.34 -0.37 0.00 -2.01 0.00 0.00 31.29 30.44 1j8k h VAL 15 CO 0.38 0.02 -0.81 -0.90 -1.01 0.00 0.00 177.57 175.25 1j8k n ASP 16 N -4.31 4.09 0.00 3.17 5.75 -1.26 -4.17 116.55 119.81 1j8k n ASP 16 Ca 0.25 -3.57 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 1j8k n ASP 16 Cb 1.12 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1j8k n SER 17 N -0.73 0.00 -3.95 -1.12 2.88 0.03 -2.78 113.62 107.95 1j8k n SER 17 Ca 0.36 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.60 1j8k n SER 17 Cb 0.92 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.23 1j8k n SER 17 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1j8k s ILE 18 N 0.00 1.83 -0.39 2.46 -1.09 -0.60 0.11 121.20 123.52 1j8k s ILE 18 Ca 0.00 -1.90 -0.18 0.00 -2.23 0.00 0.00 60.65 56.34 1j8k s ILE 18 Cb 0.00 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 38.60 1j8k s ILE 18 CO 0.00 -0.49 0.51 -0.75 -1.23 0.00 0.00 174.94 172.98 1j8k s LYS 19 N 1.16 3.39 0.20 2.79 2.20 0.26 -2.43 119.74 127.32 1j8k s LYS 19 Ca 0.06 -0.39 0.10 0.00 -0.36 0.00 0.00 55.97 55.39 1j8k s LYS 19 Cb -0.19 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 1j8k s LYS 19 CO -0.11 -0.78 -0.21 0.96 -0.36 0.00 0.00 175.35 174.84 1j8k s ILE 20 N 2.41 2.18 -0.03 5.43 -4.36 -1.05 -2.30 121.20 123.48 1j8k s ILE 20 Ca 0.17 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 1j8k s ILE 20 Cb -0.16 -2.07 -0.00 0.00 1.25 0.00 0.00 42.46 41.48 1j8k s ILE 20 CO 0.15 -0.26 -0.15 0.00 0.24 0.00 0.00 174.94 174.91 1j8k s ALA 21 N -2.04 1.36 0.22 2.27 0.00 -0.83 -0.38 121.76 122.35 1j8k s ALA 21 Ca 0.21 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1j8k s ALA 21 Cb -0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1j8k s ALA 21 CO 0.10 0.27 -0.06 1.67 0.00 0.00 0.00 175.76 177.73 1j8k s TRP 22 N -0.05 2.65 -0.49 0.00 -2.14 -1.07 -0.72 118.94 117.12 1j8k s TRP 22 Ca -0.01 -0.22 -0.44 0.00 2.66 0.00 0.00 56.10 58.09 1j8k s TRP 22 Cb -0.09 -1.24 -0.19 0.00 -3.10 0.00 0.00 33.47 28.85 1j8k s TRP 22 CO 0.01 0.56 2.13 -1.91 -2.66 0.00 0.00 176.95 175.09 1j8k n GLU 23 N -0.35 0.04 -0.95 3.25 2.13 -1.26 -4.80 120.64 118.70 1j8k n GLU 23 Ca -0.09 0.01 -0.36 0.00 0.66 0.00 0.00 57.16 57.38 1j8k n GLU 23 Cb 0.57 -1.54 0.06 0.00 0.27 0.00 0.00 31.44 30.80 1j8k n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1j8k n SER 24 N 7.53 -4.34 -4.80 4.31 3.41 -1.26 -4.83 113.62 113.63 1j8k n SER 24 Ca 0.54 0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.94 1j8k n SER 24 Cb -0.03 -0.76 -0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1j8k n SER 24 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1j8k s PRO 25 N -2.33 3.43 0.00 4.33 0.04 -1.26 -4.97 135.00 134.23 1j8k s PRO 25 Ca 0.42 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1j8k s PRO 25 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1j8k s PRO 25 CO 0.75 -0.73 0.00 1.04 0.04 0.00 0.00 177.00 178.10 1j8k n GLN 26 N -1.74 2.09 -0.70 4.56 1.13 -1.26 -4.72 117.38 116.74 1j8k n GLN 26 Ca 0.09 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1j8k n GLN 26 Cb 0.53 -0.92 0.20 0.00 0.11 0.00 0.00 30.24 30.16 1j8k n GLN 26 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j8k n GLY 27 N 2.32 4.93 3.18 1.08 0.00 -1.26 -4.99 105.19 110.44 1j8k n GLY 27 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 1j8k n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j8k n GLN 28 N -1.11 -1.94 -1.01 1.61 7.27 -1.26 -4.91 117.38 116.03 1j8k n GLN 28 Ca 0.28 1.65 -0.31 0.00 0.07 0.00 0.00 57.00 58.68 1j8k n GLN 28 Cb 0.91 -4.39 0.13 0.00 2.41 0.00 0.00 30.24 29.30 1j8k n GLN 28 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1j8k s VAL 29 N -2.47 2.64 -0.16 1.69 0.11 -1.26 -4.97 120.40 115.97 1j8k s VAL 29 Ca 0.20 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1j8k s VAL 29 Cb -0.04 -2.48 -0.23 0.00 -1.53 0.00 0.00 36.38 32.10 1j8k s VAL 29 CO 0.81 -0.26 0.19 -1.20 -3.33 0.00 0.00 175.10 171.31 1j8k n SER 30 N -3.78 2.07 -2.42 3.54 7.64 -1.23 -4.97 113.62 114.47 1j8k n SER 30 Ca 0.11 0.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 1j8k n SER 30 Cb 0.52 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1j8k n SER 30 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1j8k n ARG 31 N -3.51 0.31 -3.59 1.43 0.63 -1.25 -4.96 116.66 105.72 1j8k n ARG 31 Ca -0.36 -2.09 -0.01 0.00 -0.92 0.00 0.00 57.85 54.47 1j8k n ARG 31 Cb 1.01 1.78 -0.05 0.00 0.45 0.00 0.00 32.46 35.65 1j8k n ARG 31 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1j8k s TYR 32 N -3.07 -1.08 -0.25 -0.14 6.14 -1.26 -1.60 117.35 116.10 1j8k s TYR 32 Ca 0.24 1.93 -0.11 0.00 0.64 0.00 0.00 57.07 59.77 1j8k s TYR 32 Cb 0.01 0.65 -0.05 0.00 0.42 0.00 0.00 41.96 42.99 1j8k s TYR 32 CO 0.17 -0.54 0.19 0.50 0.64 0.00 0.00 175.55 176.52 1j8k s ARG 33 N 2.47 4.04 -0.12 4.97 3.52 -0.34 -4.26 118.95 129.23 1j8k s ARG 33 Ca -0.06 -0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1j8k s ARG 33 Cb -0.09 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1j8k s ARG 33 CO -0.18 -0.03 0.03 0.08 -0.81 0.00 0.00 175.30 174.38 1j8k s VAL 34 N 1.34 4.52 0.01 7.11 1.01 -1.09 -2.36 120.40 130.93 1j8k s VAL 34 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1j8k s VAL 34 Cb -0.14 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1j8k s VAL 34 CO 0.07 0.56 -0.07 0.42 0.00 0.00 0.00 175.10 176.08 1j8k s THR 35 N -0.47 0.53 0.01 3.92 -4.23 -1.03 0.25 115.64 114.62 1j8k s THR 35 Ca 0.09 -0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 1j8k s THR 35 Cb -0.12 -0.49 -0.00 0.00 1.34 0.00 0.00 72.50 73.23 1j8k s THR 35 CO 0.02 0.01 0.11 -0.72 -0.54 0.00 0.00 174.62 173.50 1j8k s TYR 36 N -0.47 0.08 0.26 3.99 1.13 -0.93 0.21 117.35 121.61 1j8k s TYR 36 Ca -0.01 -0.20 -0.07 0.00 -1.41 0.00 0.00 57.07 55.39 1j8k s TYR 36 Cb -0.04 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.73 1j8k s TYR 36 CO 0.00 -0.26 0.37 -1.54 -2.51 0.00 0.00 175.55 171.61 1j8k s SER 37 N -1.37 0.22 0.10 -0.18 1.04 0.25 0.19 113.70 113.96 1j8k s SER 37 Ca -0.15 -1.20 0.05 0.00 0.48 0.00 0.00 55.95 55.14 1j8k s SER 37 Cb -0.08 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1j8k s SER 37 CO 0.01 -1.08 -0.12 -0.55 0.98 0.00 0.00 173.24 172.47 1j8k s SER 38 N -3.11 1.69 0.00 7.02 0.15 0.45 -2.45 113.70 117.45 1j8k s SER 38 Ca 0.29 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 56.14 1j8k s SER 38 Cb 0.02 -0.03 -0.16 0.00 -1.71 0.00 0.00 66.02 64.13 1j8k s SER 38 CO 0.13 -0.18 2.70 -0.81 1.20 0.00 0.00 173.24 176.28 1j8k n PRO 39 N 0.70 1.43 0.00 5.44 -0.04 -1.26 -2.86 135.00 138.41 1j8k n PRO 39 Ca -0.17 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 1j8k n PRO 39 Cb 0.57 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1j8k n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1j8k n GLU 40 N 2.29 0.00 0.10 0.54 0.28 -1.26 -4.97 120.64 117.62 1j8k n GLU 40 Ca 0.25 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.02 1j8k n GLU 40 Cb 0.67 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.39 1j8k n GLU 40 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1j8k h ASP 41 N 0.00 0.70 0.00 -1.84 3.58 -1.98 -3.50 116.42 113.37 1j8k h ASP 41 Ca 0.00 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.52 1j8k h ASP 41 Cb 0.00 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1j8k h ASP 41 CO 0.00 1.66 0.00 0.61 -2.88 0.00 0.00 179.24 178.63 1j8k n GLY 42 N 1.74 0.35 3.48 -0.78 0.00 -1.13 -4.94 105.19 103.91 1j8k n GLY 42 Ca -0.19 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 1j8k n GLY 42 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j8k s ILE 43 N -1.40 2.03 0.26 -0.61 2.07 -1.26 0.17 121.20 122.45 1j8k s ILE 43 Ca 0.00 -2.20 0.02 0.00 -1.41 0.00 0.00 60.65 57.06 1j8k s ILE 43 Cb 0.00 -2.51 -0.05 0.00 0.13 0.00 0.00 42.46 40.03 1j8k s ILE 43 CO 0.00 -0.28 0.06 -1.00 -1.91 0.00 0.00 174.94 171.81 1j8k s HIS 44 N -2.76 1.58 -0.06 3.50 3.76 0.52 -4.91 115.29 116.92 1j8k s HIS 44 Ca 0.31 -1.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.11 1j8k s HIS 44 Cb 0.02 -0.94 0.04 0.00 1.11 0.00 0.00 32.58 32.80 1j8k s HIS 44 CO 0.14 -0.22 0.10 -2.00 -0.85 0.00 0.00 174.74 171.91 1j8k s GLU 45 N -3.97 -0.02 -0.33 1.40 2.12 -1.26 -2.20 118.70 114.44 1j8k s GLU 45 Ca 0.35 0.42 -0.25 0.00 0.36 0.00 0.00 54.97 55.85 1j8k s GLU 45 Cb 0.07 -0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.11 1j8k s GLU 45 CO 0.12 -0.29 0.87 -1.17 -0.54 0.00 0.00 175.26 174.25 1j8k s LEU 46 N 1.98 4.05 -0.01 2.70 2.96 0.70 -4.91 118.68 126.15 1j8k s LEU 46 Ca 0.01 0.64 0.12 0.00 -0.22 0.00 0.00 54.13 54.68 1j8k s LEU 46 Cb -0.12 -3.18 -0.23 0.00 0.50 0.00 0.00 46.19 43.16 1j8k s LEU 46 CO -0.04 -0.74 0.78 0.15 -1.32 0.00 0.00 176.35 175.18 1j8k h PHE 47 N 8.27 0.00 -1.79 5.38 3.57 -1.89 -2.89 116.94 127.59 1j8k h PHE 47 Ca -0.23 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.79 1j8k h PHE 47 Cb 1.09 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 1j8k h PHE 47 CO 0.80 1.00 1.20 -1.25 -2.23 0.00 0.00 178.31 177.83 1j8k s PRO 48 N -2.62 2.80 -0.91 6.41 0.04 -1.26 -4.91 135.00 134.56 1j8k s PRO 48 Ca -0.04 0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 1j8k s PRO 48 Cb 0.08 -4.52 0.23 0.00 0.04 0.00 0.00 34.50 30.33 1j8k s PRO 48 CO 0.82 -2.69 0.85 0.00 0.04 0.00 0.00 177.00 176.03 1j8k s ALA 49 N 8.27 4.26 0.48 8.56 0.00 -1.26 -4.99 121.76 137.08 1j8k s ALA 49 Ca 0.59 -3.51 -0.22 0.00 0.00 0.00 0.00 51.96 48.82 1j8k s ALA 49 Cb -0.10 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1j8k s ALA 49 CO 0.14 -2.24 1.19 -1.25 0.00 0.00 0.00 175.76 173.60 1j8k s PRO 50 N -0.36 3.61 0.32 0.00 0.04 -1.26 -4.55 135.00 132.79 1j8k s PRO 50 Ca 0.22 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 1j8k s PRO 50 Cb -0.11 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.10 1j8k s PRO 50 CO -0.08 -0.69 0.50 0.34 0.04 0.00 0.00 177.00 177.11 1j8k s ASP 51 N -1.34 0.50 0.00 6.66 2.15 -1.26 -4.65 116.67 118.73 1j8k s ASP 51 Ca 0.66 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 52.35 1j8k s ASP 51 Cb -0.30 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 42.97 1j8k s ASP 51 CO 0.36 -1.28 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 1j8k n GLY 52 N -0.50 2.12 0.00 2.66 0.00 -1.26 -4.31 105.19 103.90 1j8k n GLY 52 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1j8k n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1j8k n GLU 53 N 0.00 2.56 -3.41 1.61 0.28 -1.26 -5.05 120.64 115.37 1j8k n GLU 53 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1j8k n GLU 53 Cb 0.00 -0.78 -0.06 0.00 1.43 0.00 0.00 31.44 32.03 1j8k n GLU 53 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1j8k s GLU 54 N -1.22 4.11 -0.00 3.44 2.56 -1.26 -4.93 118.70 121.39 1j8k s GLU 54 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 54.97 55.43 1j8k s GLU 54 Cb 0.00 -3.30 0.01 0.00 2.00 0.00 0.00 34.13 32.83 1j8k s GLU 54 CO 0.00 0.49 0.72 -0.25 -0.56 0.00 0.00 175.26 175.66 1j8k n ASP 55 N 2.48 0.12 -4.16 -1.70 8.00 -1.26 -4.67 116.55 115.35 1j8k n ASP 55 Ca -0.11 -1.45 -0.10 0.00 0.71 0.00 0.00 54.79 53.83 1j8k n ASP 55 Cb 0.52 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 1j8k n ASP 55 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j8k s THR 56 N -0.10 0.09 0.07 -3.53 -4.23 -1.26 -2.59 115.64 104.09 1j8k s THR 56 Ca 0.01 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1j8k s THR 56 Cb 0.01 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 1j8k s THR 56 CO 0.00 -0.35 -0.06 0.00 -0.54 0.00 0.00 174.62 173.67 1j8k s ALA 57 N -4.07 3.09 -0.61 3.99 0.00 0.49 -4.96 121.76 119.70 1j8k s ALA 57 Ca 0.28 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1j8k s ALA 57 Cb 0.07 -1.06 0.15 0.00 0.00 0.00 0.00 23.12 22.28 1j8k s ALA 57 CO 0.04 0.66 0.38 -1.21 0.00 0.00 0.00 175.76 175.63 1j8k s GLU 58 N -2.03 2.26 -1.28 0.00 0.41 -1.26 -2.52 118.70 114.27 1j8k s GLU 58 Ca 0.22 -2.87 -0.14 0.00 -0.41 0.00 0.00 54.97 51.77 1j8k s GLU 58 Cb -0.11 -3.43 0.13 0.00 -1.78 0.00 0.00 34.13 28.93 1j8k s GLU 58 CO 0.14 -1.18 1.72 1.28 -0.49 0.00 0.00 175.26 176.72 1j8k n LEU 59 N 2.77 5.67 -4.83 1.80 4.77 -1.02 -4.91 117.00 121.25 1j8k n LEU 59 Ca 0.11 -4.32 -0.33 0.00 -0.03 0.00 0.00 56.01 51.43 1j8k n LEU 59 Cb 0.34 -1.63 -0.06 0.00 -2.33 0.00 0.00 43.42 39.74 1j8k n LEU 59 CO 0.32 0.77 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.84 1j8k s GLN 60 N 2.22 3.22 0.00 3.23 -0.21 -1.26 -1.56 119.66 125.30 1j8k s GLN 60 Ca 0.46 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1j8k s GLN 60 Cb 0.04 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.08 1j8k s GLN 60 CO 0.01 0.66 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 1j8k n GLY 61 N 1.14 1.22 3.79 3.09 0.00 -1.12 -4.91 105.19 108.40 1j8k n GLY 61 Ca -0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1j8k n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8k s LEU 62 N 0.00 3.26 -0.19 0.99 1.43 -1.26 -4.99 118.68 117.92 1j8k s LEU 62 Ca 0.00 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 54.82 1j8k s LEU 62 Cb 0.00 -4.52 -0.21 0.00 0.03 0.00 0.00 46.19 41.49 1j8k s LEU 62 CO 0.00 -1.56 0.09 -1.14 0.23 0.00 0.00 176.35 173.98 1j8k n ARG 63 N -2.78 0.67 -2.22 1.70 0.63 -1.26 -4.56 116.66 108.85 1j8k n ARG 63 Ca 0.09 0.30 -0.26 0.00 -0.92 0.00 0.00 57.85 57.05 1j8k n ARG 63 Cb 0.53 -1.64 0.12 0.00 0.45 0.00 0.00 32.46 31.91 1j8k n ARG 63 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1j8k s PRO 64 N -2.50 1.54 -0.40 -0.14 0.04 -1.26 -5.00 135.00 127.28 1j8k s PRO 64 Ca -0.29 -0.54 0.10 0.00 0.04 0.00 0.00 61.00 60.31 1j8k s PRO 64 Cb 0.08 -2.11 0.34 0.00 0.04 0.00 0.00 34.50 32.86 1j8k s PRO 64 CO 0.65 -1.69 0.85 0.41 0.04 0.00 0.00 177.00 177.27 1j8k n GLY 65 N -3.18 2.69 0.00 0.56 0.00 -1.26 -4.57 105.19 99.43 1j8k n GLY 65 Ca 0.12 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1j8k n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j8k n SER 66 N 0.31 0.00 -4.51 1.61 2.88 -0.92 -4.13 113.62 108.86 1j8k n SER 66 Ca 0.19 -0.95 -0.26 0.00 -1.33 0.00 0.00 58.87 56.52 1j8k n SER 66 Cb 0.67 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.96 1j8k n SER 66 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1j8k n GLU 67 N 0.00 0.17 -2.96 -1.46 2.13 -1.21 -0.68 120.64 116.63 1j8k n GLU 67 Ca 0.00 -0.15 -0.25 0.00 0.66 0.00 0.00 57.16 57.42 1j8k n GLU 67 Cb 0.00 -1.76 -0.00 0.00 0.27 0.00 0.00 31.44 29.95 1j8k n GLU 67 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1j8k s TYR 68 N 5.52 3.45 -0.26 4.31 5.04 0.20 -4.81 117.35 130.81 1j8k s TYR 68 Ca 1.24 0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 56.36 1j8k s TYR 68 Cb -0.77 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 39.38 1j8k s TYR 68 CO 0.44 -0.18 -0.04 0.95 -1.34 0.00 0.00 175.55 175.38 1j8k s THR 69 N -2.57 3.03 0.16 4.34 -4.23 -1.02 -2.96 115.64 112.40 1j8k s THR 69 Ca 0.45 -0.98 0.09 0.00 -1.18 0.00 0.00 61.69 60.07 1j8k s THR 69 Cb -0.10 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1j8k s THR 69 CO 0.40 0.18 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.76 1j8k s VAL 70 N 1.35 1.96 0.08 2.29 1.01 -0.79 0.84 120.40 127.15 1j8k s VAL 70 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1j8k s VAL 70 Cb -0.17 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1j8k s VAL 70 CO -0.03 -0.21 -0.08 -0.44 0.00 0.00 0.00 175.10 174.33 1j8k s SER 71 N -2.54 1.16 -0.11 3.32 0.01 0.57 0.14 113.70 116.25 1j8k s SER 71 Ca 0.16 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 1j8k s SER 71 Cb -0.07 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.24 1j8k s SER 71 CO 0.07 -0.31 -0.01 -0.69 0.41 0.00 0.00 173.24 172.71 1j8k s VAL 72 N -2.50 0.58 -0.08 3.43 1.01 -0.71 -2.46 120.40 119.66 1j8k s VAL 72 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1j8k s VAL 72 Cb -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1j8k s VAL 72 CO -0.01 0.18 -0.10 -0.69 0.00 0.00 0.00 175.10 174.48 1j8k s VAL 73 N 1.88 1.07 0.84 2.92 1.01 -1.00 -1.15 120.40 125.97 1j8k s VAL 73 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1j8k s VAL 73 Cb -0.13 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.33 1j8k s VAL 73 CO -0.06 0.35 1.20 0.00 0.00 0.00 0.00 175.10 176.59 1j8k s ALA 74 N 1.05 2.59 0.09 5.51 0.00 -1.26 -1.20 121.76 128.53 1j8k s ALA 74 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1j8k s ALA 74 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1j8k s ALA 74 CO -0.01 -1.82 -0.08 -0.51 0.00 0.00 0.00 175.76 173.35 1j8k s LEU 75 N -5.63 2.42 0.23 0.00 1.43 -0.62 -3.96 118.68 112.56 1j8k s LEU 75 Ca 0.64 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.67 1j8k s LEU 75 Cb -0.10 -0.17 0.04 0.00 0.03 0.00 0.00 46.19 45.99 1j8k s LEU 75 CO 0.50 -0.34 0.82 -2.28 0.23 0.00 0.00 176.35 175.27 1j8k s HIS 76 N -2.75 -0.16 -0.37 0.29 2.46 -1.26 -3.55 115.29 109.95 1j8k s HIS 76 Ca 0.05 -0.24 -0.43 0.00 0.47 0.00 0.00 55.06 54.91 1j8k s HIS 76 Cb -0.01 0.69 -0.17 0.00 -0.13 0.00 0.00 32.58 32.96 1j8k s HIS 76 CO -0.02 -1.09 1.72 -0.40 -2.47 0.00 0.00 174.74 172.48 1j8k n ASP 77 N -0.48 1.91 -4.15 9.88 5.75 -1.26 -0.97 116.55 127.22 1j8k n ASP 77 Ca -0.05 1.09 -0.36 0.00 -0.01 0.00 0.00 54.79 55.46 1j8k n ASP 77 Cb 0.60 -1.04 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 1j8k n ASP 77 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1j8k n ASP 78 N 5.09 -1.07 -4.40 -1.12 -0.08 -1.26 -4.92 116.55 108.78 1j8k n ASP 78 Ca 0.30 -1.21 -0.20 0.00 -1.51 0.00 0.00 54.79 52.16 1j8k n ASP 78 Cb 0.06 -1.49 -0.10 0.00 2.34 0.00 0.00 41.12 41.93 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1j8k s MET 79 N -7.22 1.54 -0.44 -0.67 -1.94 -0.15 -5.09 119.30 105.34 1j8k s MET 79 Ca 0.20 -1.83 0.08 0.00 -1.71 0.00 0.00 55.69 52.42 1j8k s MET 79 Cb -0.11 -0.75 0.32 0.00 2.01 0.00 0.00 34.83 36.30 1j8k s MET 79 CO 0.93 -0.16 1.00 0.39 -0.01 0.00 0.00 175.02 177.17 1j8k n GLU 80 N -0.58 0.99 -1.22 2.03 -0.58 -1.26 -4.48 120.64 115.53 1j8k n GLU 80 Ca -0.03 -2.31 -0.43 0.00 -0.42 0.00 0.00 57.16 53.96 1j8k n GLU 80 Cb 0.66 -1.23 -0.04 0.00 -0.57 0.00 0.00 31.44 30.27 1j8k n GLU 80 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1j8k n SER 81 N 0.41 -0.84 -4.49 1.62 7.64 -1.25 -4.61 113.62 112.08 1j8k n SER 81 Ca 0.11 0.98 -0.58 0.00 1.01 0.00 0.00 58.87 60.39 1j8k n SER 81 Cb 0.68 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 1j8k n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j8k n GLN 82 N 0.95 0.01 -2.30 1.43 3.00 -1.26 -4.56 117.38 114.65 1j8k n GLN 82 Ca 0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.74 1j8k n GLN 82 Cb 0.18 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.92 1j8k n GLN 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1j8k s PRO 83 N -0.07 4.43 0.29 -1.09 0.04 -1.26 -4.75 135.00 132.59 1j8k s PRO 83 Ca 0.89 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.92 1j8k s PRO 83 Cb -1.24 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 30.04 1j8k s PRO 83 CO 0.57 -0.19 0.44 -1.17 0.04 0.00 0.00 177.00 176.68 1j8k s LEU 84 N 0.01 4.16 0.10 -3.56 2.96 -0.30 -4.90 118.68 117.15 1j8k s LEU 84 Ca 0.56 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.70 1j8k s LEU 84 Cb -0.34 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 1j8k s LEU 84 CO 0.36 -0.21 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.34 1j8k s ILE 85 N -2.12 2.60 -0.40 6.68 -1.09 -1.26 -1.73 121.20 123.88 1j8k s ILE 85 Ca 0.38 -1.51 0.03 0.00 -2.23 0.00 0.00 60.65 57.32 1j8k s ILE 85 Cb -0.09 -2.15 0.16 0.00 -1.58 0.00 0.00 42.46 38.80 1j8k s ILE 85 CO 0.32 0.17 0.38 -0.83 -1.23 0.00 0.00 174.94 173.74 1j8k s GLY 86 N -1.91 0.33 0.15 6.18 0.00 0.36 -4.86 107.32 107.58 1j8k s GLY 86 Ca 0.16 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1j8k s GLY 86 CO 0.07 2.56 0.22 -1.59 0.00 0.00 0.00 173.10 174.36 1j8k s THR 87 N 0.90 4.99 -0.27 0.90 2.01 -1.26 -1.88 115.64 121.04 1j8k s THR 87 Ca 0.23 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1j8k s THR 87 Cb -0.09 -3.56 0.18 0.00 0.01 0.00 0.00 72.50 69.04 1j8k s THR 87 CO -0.07 -0.09 1.30 -1.10 -0.69 0.00 0.00 174.62 173.97 1j8k s GLN 88 N -3.15 0.16 -0.83 4.92 -1.52 -1.15 -4.95 119.66 113.14 1j8k s GLN 88 Ca 0.33 0.06 -0.25 0.00 -1.95 0.00 0.00 55.36 53.55 1j8k s GLN 88 Cb -0.11 0.08 -0.01 0.00 -0.22 0.00 0.00 33.01 32.75 1j8k s GLN 88 CO 0.26 -0.05 1.70 -1.12 -0.25 0.00 0.00 175.29 175.84 1j8k s SER 89 N -0.88 5.65 0.41 5.90 0.01 -1.26 -0.63 113.70 122.90 1j8k s SER 89 Ca 0.07 -0.57 -0.26 0.00 1.31 0.00 0.00 55.95 56.50 1j8k s SER 89 Cb -0.01 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 1j8k s SER 89 CO -0.07 -2.22 1.25 0.41 0.41 0.00 0.00 173.24 173.02 1j8k n THR 90 N 7.25 2.48 0.00 1.44 -1.04 0.14 -4.67 114.28 119.88 1j8k n THR 90 Ca 0.28 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1j8k n THR 90 Cb 0.49 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1j8k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8k n ALA 91 N -0.16 0.00 -2.22 2.41 0.00 -1.26 -2.16 120.51 117.12 1j8k n ALA 91 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1j8k n ALA 91 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1j8k n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1j8k s ILE 92 N -0.21 0.91 -0.31 0.00 -0.00 -1.26 -3.81 121.20 116.52 1j8k s ILE 92 Ca 0.00 -2.00 -0.23 0.00 -0.00 0.00 0.00 60.65 58.42 1j8k s ILE 92 Cb 0.00 -1.86 -0.00 0.00 -0.00 0.00 0.00 42.46 40.60 1j8k s ILE 92 CO 0.00 -0.73 0.75 -2.16 -0.00 0.00 0.00 174.94 172.81 1j8k s PRO 93 N -3.81 3.93 0.00 0.37 0.04 -1.26 -4.73 135.00 129.53 1j8k s PRO 93 Ca 0.17 0.50 0.15 0.00 0.04 0.00 0.00 61.00 61.85 1j8k s PRO 93 Cb 0.04 -3.74 0.88 0.00 0.04 0.00 0.00 34.50 31.73 1j8k s PRO 93 CO -0.00 -0.67 1.30 0.00 0.04 0.00 0.00 177.00 177.67