#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 3.16 -1.50 -1.44 2.07 -1.26 -4.73 121.20 117.49 1j8k s ILE 2 Ca 0.00 0.32 0.17 0.00 -1.41 0.00 0.00 60.65 59.73 1j8k s ILE 2 Cb 0.00 -3.36 -0.01 0.00 0.13 0.00 0.00 42.46 39.22 1j8k s ILE 2 CO 0.00 -0.47 0.87 0.47 -1.91 0.00 0.00 174.94 173.90 1j8k n ASP 3 N -3.04 1.64 -2.17 4.50 9.92 -1.26 -5.07 116.55 121.06 1j8k n ASP 3 Ca 0.07 -1.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.01 1j8k n ASP 3 Cb 0.58 0.48 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 1j8k n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1j8k n ARG 4 N -0.14 -4.76 -1.51 -1.24 1.74 -1.26 -4.96 116.66 104.54 1j8k n ARG 4 Ca 0.07 3.39 -0.29 0.00 -0.77 0.00 0.00 57.85 60.25 1j8k n ARG 4 Cb 0.35 -4.01 0.14 0.00 -1.02 0.00 0.00 32.46 27.92 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 -0.49 1.09 0.00 5.56 0.04 -1.25 -4.88 135.00 135.07 1j8k s PRO 5 Ca 0.00 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1j8k s PRO 5 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1j8k s PRO 5 CO 0.00 -2.24 0.00 0.36 0.04 0.00 0.00 177.00 175.16 1j8k n LYS 6 N -3.79 0.00 0.00 4.56 2.85 -1.25 -4.98 118.16 115.54 1j8k n LYS 6 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1j8k n LYS 6 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1j8k n LYS 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j8k n GLY 7 N 0.00 0.71 3.77 2.58 0.00 -1.26 -4.78 105.19 106.20 1j8k n GLY 7 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1j8k n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j8k s LEU 8 N 0.00 3.84 0.00 0.99 2.96 -1.26 -4.60 118.68 120.61 1j8k s LEU 8 Ca 0.00 2.24 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 1j8k s LEU 8 Cb 0.00 -4.45 -0.00 0.00 0.50 0.00 0.00 46.19 42.23 1j8k s LEU 8 CO 0.00 -1.13 0.04 0.00 -1.32 0.00 0.00 176.35 173.95 1j8k n ALA 9 N -1.01 0.28 -3.70 5.97 0.00 0.44 -4.99 120.51 117.50 1j8k n ALA 9 Ca 0.10 -1.18 -0.15 0.00 0.00 0.00 0.00 53.44 52.22 1j8k n ALA 9 Cb 0.50 0.72 -0.16 0.00 0.00 0.00 0.00 19.45 20.52 1j8k n ALA 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1j8k s PHE 10 N -2.21 -0.01 -0.08 0.00 0.08 -1.26 -1.94 117.98 112.56 1j8k s PHE 10 Ca 0.06 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.27 1j8k s PHE 10 Cb 0.00 -0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1j8k s PHE 10 CO 0.04 -0.10 -0.07 1.15 -0.10 0.00 0.00 175.22 176.15 1j8k h THR 11 N 6.17 0.00 -2.45 0.64 2.02 -1.30 -3.48 112.91 114.51 1j8k h THR 11 Ca -0.44 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 1j8k h THR 11 Cb 1.13 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.29 1j8k h THR 11 CO 0.47 0.00 -0.21 -0.62 0.37 0.00 0.00 175.52 175.53 1j8k s ASP 12 N -4.80 -0.64 -0.15 4.18 -1.08 -1.23 -5.01 116.67 107.95 1j8k s ASP 12 Ca -0.06 1.08 -0.06 0.00 -0.52 0.00 0.00 52.55 52.99 1j8k s ASP 12 Cb 0.01 0.98 -0.04 0.00 -1.46 0.00 0.00 42.92 42.41 1j8k s ASP 12 CO 0.08 -0.21 0.08 0.54 0.52 0.00 0.00 175.17 176.18 1j8k s VAL 13 N 1.53 4.96 0.06 1.11 0.11 -1.26 -1.22 120.40 125.68 1j8k s VAL 13 Ca -0.09 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.03 1j8k s VAL 13 Cb -0.08 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1j8k s VAL 13 CO -0.15 0.53 -0.18 -0.62 -3.33 0.00 0.00 175.10 171.35 1j8k s ASP 14 N -0.27 2.17 0.48 3.54 2.15 0.77 -4.59 116.67 120.92 1j8k s ASP 14 Ca 0.09 -0.54 0.33 0.00 0.43 0.00 0.00 52.55 52.85 1j8k s ASP 14 Cb -0.12 -0.15 1.45 0.00 -0.30 0.00 0.00 42.92 43.80 1j8k s ASP 14 CO 0.01 0.08 1.70 1.62 -0.17 0.00 0.00 175.17 178.41 1j8k h VAL 15 N 4.34 0.28 -0.85 1.11 3.04 -1.81 -0.21 116.25 122.15 1j8k h VAL 15 Ca -0.42 -0.04 -0.45 0.00 -1.01 0.00 0.00 66.70 64.78 1j8k h VAL 15 Cb 1.17 0.15 -0.42 0.00 -2.01 0.00 0.00 31.29 30.19 1j8k h VAL 15 CO 0.43 0.02 -0.93 -0.90 -1.01 0.00 0.00 177.57 175.17 1j8k n ASP 16 N -4.40 3.52 0.00 3.17 5.75 -1.26 -4.04 116.55 119.29 1j8k n ASP 16 Ca 0.32 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1j8k n ASP 16 Cb 1.35 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 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 -0.55 0.00 -3.93 -1.12 2.88 -0.09 -2.99 113.62 107.82 1j8k n SER 17 Ca 0.28 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.61 1j8k n SER 17 Cb 0.84 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.23 0.72 -0.47 2.46 -1.09 -0.64 0.27 121.20 122.22 1j8k s ILE 18 Ca 0.00 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 1j8k s ILE 18 Cb 0.00 -0.71 0.11 0.00 -1.58 0.00 0.00 42.46 40.28 1j8k s ILE 18 CO 0.00 0.27 0.35 -0.54 -1.23 0.00 0.00 174.94 173.79 1j8k s LYS 19 N 0.87 2.61 0.12 2.79 1.02 -0.36 -2.07 119.74 124.72 1j8k s LYS 19 Ca -0.12 -1.66 0.05 0.00 0.02 0.00 0.00 55.97 54.26 1j8k s LYS 19 Cb -0.15 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 1j8k s LYS 19 CO 0.01 -1.15 0.06 0.96 -0.92 0.00 0.00 175.35 174.31 1j8k s ILE 20 N 1.43 4.27 -0.08 2.17 -4.36 -1.08 -0.79 121.20 122.76 1j8k s ILE 20 Ca 0.05 -1.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.46 1j8k s ILE 20 Cb -0.26 -3.10 0.01 0.00 1.25 0.00 0.00 42.46 40.37 1j8k s ILE 20 CO 0.01 0.03 -0.14 0.00 0.24 0.00 0.00 174.94 175.08 1j8k s ALA 21 N -1.51 1.42 0.08 2.27 0.00 -0.82 -0.45 121.76 122.75 1j8k s ALA 21 Ca 0.28 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.81 1j8k s ALA 21 Cb -0.11 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1j8k s ALA 21 CO 0.21 0.07 -0.24 1.67 0.00 0.00 0.00 175.76 177.47 1j8k s TRP 22 N 0.75 2.06 -1.10 0.00 -2.14 -1.01 -0.42 118.94 117.08 1j8k s TRP 22 Ca -0.13 -0.39 -0.04 0.00 2.66 0.00 0.00 56.10 58.20 1j8k s TRP 22 Cb -0.16 -1.18 0.29 0.00 -3.10 0.00 0.00 33.47 29.32 1j8k s TRP 22 CO 0.03 0.19 1.67 -1.91 -2.66 0.00 0.00 176.95 174.27 1j8k n GLU 23 N 1.43 4.70 -0.07 3.25 2.13 -1.26 -4.68 120.64 126.13 1j8k n GLU 23 Ca -0.18 -4.44 -0.22 0.00 0.66 0.00 0.00 57.16 52.99 1j8k n GLU 23 Cb 0.53 -2.54 -0.12 0.00 0.27 0.00 0.00 31.44 29.57 1j8k n GLU 23 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1j8k n SER 24 N 1.17 2.02 -4.74 4.31 7.64 -1.26 -3.88 113.62 118.87 1j8k n SER 24 Ca 0.35 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.99 1j8k n SER 24 Cb 0.31 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.71 1j8k n SER 24 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1j8k s PRO 25 N -2.51 4.77 0.00 1.43 0.04 -1.26 -4.36 135.00 133.11 1j8k s PRO 25 Ca -0.29 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1j8k s PRO 25 Cb 0.08 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1j8k s PRO 25 CO 0.65 0.35 0.00 1.04 0.04 0.00 0.00 177.00 179.08 1j8k n GLN 26 N 2.07 0.00 0.05 4.56 6.02 -1.26 -5.02 117.38 123.79 1j8k n GLN 26 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1j8k n GLN 26 Cb 0.48 -0.23 0.00 0.00 1.02 0.00 0.00 30.24 31.51 1j8k n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j8k n GLY 27 N -0.14 -0.03 2.96 1.08 0.00 -1.26 -5.07 105.19 102.74 1j8k n GLY 27 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1j8k n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j8k s GLN 28 N -1.87 0.33 0.00 1.61 0.74 -1.26 -5.17 119.66 114.04 1j8k s GLN 28 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.39 1j8k s GLN 28 Cb 0.00 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1j8k s GLN 28 CO 0.00 -0.51 0.00 1.55 -0.55 0.00 0.00 175.29 175.78 1j8k n VAL 29 N 4.24 0.00 0.03 1.34 3.14 -1.26 -4.75 118.33 121.07 1j8k n VAL 29 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1j8k n VAL 29 Cb 0.60 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 1j8k n VAL 29 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1j8k n SER 30 N -2.52 0.32 -4.37 6.55 2.88 -1.21 -5.00 113.62 110.28 1j8k n SER 30 Ca 0.00 0.09 -0.19 0.00 -1.33 0.00 0.00 58.87 57.44 1j8k n SER 30 Cb 0.00 -0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 1j8k n SER 30 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j8k s ARG 31 N -1.40 1.52 -0.11 -1.46 3.00 -1.26 -4.96 118.95 114.29 1j8k s ARG 31 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 55.73 53.90 1j8k s ARG 31 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 34.95 34.45 1j8k s ARG 31 CO 0.00 -0.25 -0.10 0.71 0.00 0.00 0.00 175.30 175.65 1j8k s TYR 32 N -3.55 1.63 -0.42 -0.53 2.02 -1.26 -0.69 117.35 114.54 1j8k s TYR 32 Ca 0.37 -0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 56.11 1j8k s TYR 32 Cb 0.08 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.39 1j8k s TYR 32 CO 0.15 -0.48 0.49 0.50 -1.57 0.00 0.00 175.55 174.64 1j8k s ARG 33 N 1.37 3.15 -0.64 -0.62 6.06 0.15 -4.37 118.95 124.05 1j8k s ARG 33 Ca -0.00 -0.65 -0.12 0.00 -2.50 0.00 0.00 55.73 52.45 1j8k s ARG 33 Cb -0.14 -3.96 0.16 0.00 0.06 0.00 0.00 34.95 31.08 1j8k s ARG 33 CO -0.05 -0.89 0.56 0.08 -2.50 0.00 0.00 175.30 172.49 1j8k s VAL 34 N 2.32 4.96 -0.08 7.11 1.01 0.21 -2.28 120.40 133.65 1j8k s VAL 34 Ca 0.15 -2.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.02 1j8k s VAL 34 Cb -0.16 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1j8k s VAL 34 CO 0.15 -0.91 -0.00 0.42 0.00 0.00 0.00 175.10 174.76 1j8k s THR 35 N 0.82 4.26 0.04 3.92 -4.23 -0.97 -0.83 115.64 118.66 1j8k s THR 35 Ca 0.11 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.21 1j8k s THR 35 Cb -0.21 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1j8k s THR 35 CO -0.03 0.58 0.25 -0.72 -0.54 0.00 0.00 174.62 174.16 1j8k s TYR 36 N -0.90 -0.02 0.20 3.99 -0.85 -0.98 0.22 117.35 119.01 1j8k s TYR 36 Ca 0.14 -0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.51 1j8k s TYR 36 Cb -0.11 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.27 1j8k s TYR 36 CO 0.03 -0.47 0.30 -1.13 -1.52 0.00 0.00 175.55 172.76 1j8k n SER 37 N 0.61 -0.83 -3.68 -0.18 3.41 0.93 0.83 113.62 114.71 1j8k n SER 37 Ca -0.19 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.27 1j8k n SER 37 Cb 0.59 1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 66.01 1j8k n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j8k s SER 38 N -2.23 -0.18 -0.21 4.04 0.15 -0.46 -2.11 113.70 112.70 1j8k s SER 38 Ca 0.16 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 1j8k s SER 38 Cb -0.01 0.46 -0.20 0.00 -1.71 0.00 0.00 66.02 64.56 1j8k s SER 38 CO 0.11 -0.85 2.98 -0.81 1.20 0.00 0.00 173.24 175.87 1j8k n PRO 39 N -0.21 1.85 0.00 5.44 -0.04 -1.26 -3.06 135.00 137.72 1j8k n PRO 39 Ca -0.15 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1j8k n PRO 39 Cb 0.63 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1j8k n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j8k n GLU 40 N 2.79 0.00 -0.09 0.54 1.02 -1.26 -4.97 120.64 118.67 1j8k n GLU 40 Ca 0.40 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1j8k n GLU 40 Cb 0.66 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.04 1j8k n GLU 40 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1j8k h ASP 41 N 0.00 0.79 -5.00 1.62 3.58 -1.97 -3.49 116.42 111.94 1j8k h ASP 41 Ca 0.00 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1j8k h ASP 41 Cb 0.00 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1j8k h ASP 41 CO 0.00 1.11 0.00 0.61 -2.88 0.00 0.00 179.24 178.08 1j8k n GLY 42 N 0.20 -0.46 3.86 -0.78 0.00 -1.17 -4.91 105.19 101.92 1j8k n GLY 42 Ca -0.04 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.31 4.67 0.06 -0.61 2.07 -1.26 -1.36 121.20 124.46 1j8k s ILE 43 Ca 0.00 -1.27 0.04 0.00 -1.41 0.00 0.00 60.65 58.01 1j8k s ILE 43 Cb 0.00 -3.52 -0.03 0.00 0.13 0.00 0.00 42.46 39.04 1j8k s ILE 43 CO 0.00 -0.33 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.32 1j8k s HIS 44 N -2.07 0.92 -0.92 3.50 2.46 0.24 -4.92 115.29 114.51 1j8k s HIS 44 Ca 0.33 -0.48 -0.00 0.00 0.47 0.00 0.00 55.06 55.37 1j8k s HIS 44 Cb -0.08 -0.53 0.30 0.00 -0.13 0.00 0.00 32.58 32.13 1j8k s HIS 44 CO 0.26 -0.02 1.29 -1.91 -2.47 0.00 0.00 174.74 171.89 1j8k n GLU 45 N 1.37 3.98 -2.37 2.88 0.00 -1.26 -2.31 120.64 122.93 1j8k n GLU 45 Ca -0.22 -4.62 -0.33 0.00 0.00 0.00 0.00 57.16 51.99 1j8k n GLU 45 Cb 0.54 -2.42 -0.02 0.00 0.00 0.00 0.00 31.44 29.54 1j8k n GLU 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1j8k s LEU 46 N -2.92 3.70 -0.31 4.31 2.96 -0.01 -4.88 118.68 121.52 1j8k s LEU 46 Ca 0.35 1.81 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 1j8k s LEU 46 Cb 0.10 -4.54 0.21 0.00 0.50 0.00 0.00 46.19 42.46 1j8k s LEU 46 CO 0.04 -0.85 1.16 2.22 -1.32 0.00 0.00 176.35 177.60 1j8k n PHE 47 N -1.41 -1.26 -2.11 5.38 -1.74 -1.26 0.66 117.46 115.71 1j8k n PHE 47 Ca 0.08 -1.17 -0.29 0.00 -0.56 0.00 0.00 57.45 55.51 1j8k n PHE 47 Cb 0.53 1.30 -0.06 0.00 1.52 0.00 0.00 39.48 42.78 1j8k n PHE 47 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1j8k s PRO 48 N 0.10 2.62 -0.47 3.97 0.04 -1.26 -4.70 135.00 135.29 1j8k s PRO 48 Ca 0.10 -1.22 -0.43 0.00 0.04 0.00 0.00 61.00 59.50 1j8k s PRO 48 Cb 0.22 -5.26 -0.18 0.00 0.04 0.00 0.00 34.50 29.31 1j8k s PRO 48 CO -0.05 -3.83 1.81 0.00 0.04 0.00 0.00 177.00 174.97 1j8k n ALA 49 N 13.88 -0.42 -1.43 8.56 0.00 -1.26 -4.85 120.51 134.98 1j8k n ALA 49 Ca 0.45 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.87 1j8k n ALA 49 Cb 0.47 -1.90 0.06 0.00 0.00 0.00 0.00 19.45 18.08 1j8k n ALA 49 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j8k s PRO 50 N 4.47 2.59 0.44 0.00 0.04 -1.26 -4.93 135.00 136.35 1j8k s PRO 50 Ca 1.07 1.39 0.25 0.00 0.04 0.00 0.00 61.00 63.75 1j8k s PRO 50 Cb -1.42 -1.92 0.81 0.00 0.04 0.00 0.00 34.50 32.01 1j8k s PRO 50 CO 0.69 -1.41 1.78 0.22 0.04 0.00 0.00 177.00 178.31 1j8k h ASP 51 N -0.26 0.00 0.00 6.66 3.58 -1.93 -3.46 116.42 121.00 1j8k h ASP 51 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1j8k h ASP 51 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1j8k h ASP 51 CO 0.53 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.68 1j8k n GLY 52 N 0.41 1.33 0.60 -0.78 0.00 -1.26 -4.95 105.19 100.54 1j8k n GLY 52 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1j8k n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j8k n GLU 53 N 0.00 1.78 -3.76 1.61 4.71 -1.26 -4.50 120.64 119.23 1j8k n GLU 53 Ca 0.00 -1.19 -0.28 0.00 -0.01 0.00 0.00 57.16 55.68 1j8k n GLU 53 Cb 0.00 -1.37 -0.11 0.00 -1.01 0.00 0.00 31.44 28.95 1j8k n GLU 53 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1j8k n GLU 54 N 0.42 1.97 0.00 3.49 1.02 -1.26 -4.88 120.64 121.40 1j8k n GLU 54 Ca 0.15 -4.49 0.07 0.00 -0.02 0.00 0.00 57.16 52.87 1j8k n GLU 54 Cb 0.33 -2.25 0.38 0.00 -0.02 0.00 0.00 31.44 29.88 1j8k n GLU 54 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j8k n ASP 55 N 1.68 0.00 0.00 1.62 -0.08 -1.26 -4.74 116.55 113.77 1j8k n ASP 55 Ca 0.23 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1j8k n ASP 55 Cb 0.37 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1j8k n ASP 55 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1j8k n THR 56 N -1.31 0.00 -3.75 5.18 -2.24 -1.25 -2.42 114.28 108.49 1j8k n THR 56 Ca 0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1j8k n THR 56 Cb 0.13 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 1j8k n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8k s ALA 57 N -2.01 -0.86 -1.02 6.98 0.00 0.40 -4.90 121.76 120.35 1j8k s ALA 57 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 1j8k s ALA 57 Cb 0.00 -0.54 0.26 0.00 0.00 0.00 0.00 23.12 22.84 1j8k s ALA 57 CO 0.00 -0.17 1.00 -1.91 0.00 0.00 0.00 175.76 174.68 1j8k n GLU 58 N 2.81 3.21 -2.56 0.00 2.13 -1.26 -2.64 120.64 122.33 1j8k n GLU 58 Ca -0.13 -4.48 -0.41 0.00 0.66 0.00 0.00 57.16 52.79 1j8k n GLU 58 Cb 0.57 -2.49 -0.03 0.00 0.27 0.00 0.00 31.44 29.77 1j8k n GLU 58 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1j8k s LEU 59 N -1.45 3.55 -0.05 4.31 1.43 -0.88 -4.84 118.68 120.76 1j8k s LEU 59 Ca 0.30 -1.61 0.01 0.00 -1.03 0.00 0.00 54.13 51.80 1j8k s LEU 59 Cb -0.07 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1j8k s LEU 59 CO -0.09 -1.46 -0.05 -1.10 0.23 0.00 0.00 176.35 173.89 1j8k s GLN 60 N 4.86 2.76 0.00 1.70 -0.21 -1.26 -1.61 119.66 125.89 1j8k s GLN 60 Ca 0.47 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 55.30 1j8k s GLN 60 Cb 0.01 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1j8k s GLN 60 CO -0.07 0.66 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 1j8k n GLY 61 N 2.02 0.91 3.83 3.09 0.00 -1.16 -4.94 105.19 108.94 1j8k n GLY 61 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1j8k n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8k n LEU 62 N 0.00 0.00 -4.81 0.99 4.77 -1.26 -5.06 117.00 111.63 1j8k n LEU 62 Ca 0.00 -3.15 -0.35 0.00 -0.03 0.00 0.00 56.01 52.48 1j8k n LEU 62 Cb 0.00 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1j8k n LEU 62 CO 0.00 -0.52 0.56 0.00 -1.33 0.00 0.00 177.39 176.10 1j8k s ARG 63 N -4.08 4.36 -0.23 3.23 1.70 -1.26 -4.70 118.95 117.96 1j8k s ARG 63 Ca 0.14 1.09 -0.29 0.00 -0.47 0.00 0.00 55.73 56.20 1j8k s ARG 63 Cb -0.01 -2.65 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1j8k s ARG 63 CO 0.09 0.23 1.33 -1.25 -1.08 0.00 0.00 175.30 174.62 1j8k s PRO 64 N -2.37 4.03 0.00 3.89 0.04 -1.26 -4.24 135.00 135.09 1j8k s PRO 64 Ca 0.51 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1j8k s PRO 64 Cb -0.15 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1j8k s PRO 64 CO 0.20 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1j8k n GLY 65 N 4.08 -0.29 3.60 0.56 0.00 -0.21 -4.93 105.19 108.00 1j8k n GLY 65 Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1j8k n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j8k s SER 66 N -1.04 -0.60 -0.81 1.61 1.04 -1.26 -4.98 113.70 107.65 1j8k s SER 66 Ca 0.00 0.93 -0.25 0.00 0.48 0.00 0.00 55.95 57.11 1j8k s SER 66 Cb 0.00 1.37 -0.04 0.00 0.10 0.00 0.00 66.02 67.45 1j8k s SER 66 CO 0.00 -0.14 1.95 -0.70 0.98 0.00 0.00 173.24 175.33 1j8k s GLU 67 N 1.67 2.52 -0.24 4.02 2.12 -1.26 -2.62 118.70 124.91 1j8k s GLU 67 Ca -0.08 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1j8k s GLU 67 Cb -0.05 -4.86 -0.02 0.00 0.26 0.00 0.00 34.13 29.46 1j8k s GLU 67 CO -0.16 -3.26 1.53 -0.47 -0.54 0.00 0.00 175.26 172.37 1j8k s TYR 68 N 10.08 2.25 -0.67 5.30 5.04 -0.08 -4.80 117.35 134.47 1j8k s TYR 68 Ca 0.71 0.62 -0.22 0.00 -2.44 0.00 0.00 57.07 55.75 1j8k s TYR 68 Cb -0.09 -3.96 0.08 0.00 0.35 0.00 0.00 41.96 38.35 1j8k s TYR 68 CO 0.06 -2.63 0.93 0.99 -1.34 0.00 0.00 175.55 173.56 1j8k s THR 69 N 4.96 4.44 0.02 4.34 2.01 -0.90 -2.13 115.64 128.38 1j8k s THR 69 Ca 0.67 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1j8k s THR 69 Cb -0.23 -4.66 -0.04 0.00 0.01 0.00 0.00 72.50 67.58 1j8k s THR 69 CO 0.27 -1.41 0.04 -0.69 -0.69 0.00 0.00 174.62 172.15 1j8k s VAL 70 N 3.71 4.37 -0.10 3.82 1.01 -0.97 -0.05 120.40 132.20 1j8k s VAL 70 Ca 0.21 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1j8k s VAL 70 Cb -0.17 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1j8k s VAL 70 CO 0.08 0.29 -0.23 -0.55 0.00 0.00 0.00 175.10 174.69 1j8k s SER 71 N -1.86 3.19 -0.23 3.32 0.15 0.59 0.15 113.70 119.01 1j8k s SER 71 Ca 0.23 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 1j8k s SER 71 Cb -0.12 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1j8k s SER 71 CO 0.15 0.16 0.07 -0.69 1.20 0.00 0.00 173.24 174.13 1j8k s VAL 72 N 0.32 4.50 0.01 4.45 1.01 -0.57 -2.30 120.40 127.82 1j8k s VAL 72 Ca -0.17 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1j8k s VAL 72 Cb -0.18 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1j8k s VAL 72 CO 0.08 0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.78 1j8k s VAL 73 N 1.27 0.59 0.59 2.92 1.01 -0.97 -1.68 120.40 124.14 1j8k s VAL 73 Ca 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1j8k s VAL 73 Cb -0.15 -0.53 0.07 0.00 0.00 0.00 0.00 36.38 35.77 1j8k s VAL 73 CO 0.04 0.04 0.82 0.00 0.00 0.00 0.00 175.10 176.00 1j8k s ALA 74 N -0.44 4.02 0.12 5.51 0.00 -1.26 -0.68 121.76 129.03 1j8k s ALA 74 Ca 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.38 1j8k s ALA 74 Cb -0.04 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1j8k s ALA 74 CO 0.00 -0.93 0.09 1.28 0.00 0.00 0.00 175.76 176.20 1j8k n LEU 75 N -2.43 0.00 0.00 0.00 4.77 0.14 -3.63 117.00 115.85 1j8k n LEU 75 Ca 0.11 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1j8k n LEU 75 Cb 0.60 0.56 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 1j8k n LEU 75 CO 0.43 -0.18 0.00 1.57 -1.33 0.00 0.00 177.39 177.88 1j8k n HIS 76 N -0.23 0.00 -0.31 -1.77 -0.00 -1.26 -3.31 115.22 108.34 1j8k n HIS 76 Ca 0.02 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.37 1j8k n HIS 76 Cb 0.21 0.00 0.36 0.00 -0.12 0.00 0.00 29.99 30.44 1j8k n HIS 76 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1j8k h ASP 77 N 0.00 0.22 0.00 0.26 1.82 -2.00 -3.36 116.42 113.36 1j8k h ASP 77 Ca 0.00 0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.72 1j8k h ASP 77 Cb 0.00 0.21 -0.10 0.00 0.68 0.00 0.00 39.33 40.12 1j8k h ASP 77 CO 0.00 -0.13 0.09 -0.67 -1.61 0.00 0.00 179.24 176.92 1j8k n ASP 78 N -5.14 -1.28 -4.52 2.28 -0.08 -1.26 -5.16 116.55 101.38 1j8k n ASP 78 Ca 0.25 -1.81 -0.25 0.00 -1.51 0.00 0.00 54.79 51.47 1j8k n ASP 78 Cb 0.79 1.02 -0.10 0.00 2.34 0.00 0.00 41.12 45.17 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 0.06 1.78 -0.43 -0.67 -1.94 -1.26 -5.09 119.30 111.76 1j8k s MET 79 Ca 0.07 -1.89 0.08 0.00 -1.71 0.00 0.00 55.69 52.24 1j8k s MET 79 Cb 0.13 -1.70 0.25 0.00 2.01 0.00 0.00 34.83 35.52 1j8k s MET 79 CO -0.04 0.18 0.55 0.39 -0.01 0.00 0.00 175.02 176.09 1j8k n GLU 80 N -0.75 0.96 -0.82 2.03 1.02 -1.26 -4.15 120.64 117.67 1j8k n GLU 80 Ca -0.05 -3.42 -0.26 0.00 -0.02 0.00 0.00 57.16 53.40 1j8k n GLU 80 Cb 0.63 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.70 1j8k n GLU 80 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j8k n SER 81 N 1.35 -2.85 -4.73 1.62 3.41 -1.24 -4.47 113.62 106.71 1j8k n SER 81 Ca 0.22 0.38 -0.65 0.00 -0.26 0.00 0.00 58.87 58.56 1j8k n SER 81 Cb 0.51 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 1j8k n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8k n GLN 82 N 1.17 0.27 -1.96 4.33 3.00 -1.26 -4.61 117.38 118.33 1j8k n GLN 82 Ca 0.04 0.10 -0.39 0.00 -0.01 0.00 0.00 57.00 56.74 1j8k n GLN 82 Cb 0.33 -1.64 -0.03 0.00 0.00 0.00 0.00 30.24 28.90 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 3.03 2.70 0.75 -1.09 0.04 -1.26 -4.80 135.00 134.36 1j8k s PRO 83 Ca 1.03 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1j8k s PRO 83 Cb -1.39 -4.38 0.04 0.00 0.04 0.00 0.00 34.50 28.81 1j8k s PRO 83 CO 0.77 -2.63 1.09 -1.17 0.04 0.00 0.00 177.00 175.10 1j8k s LEU 84 N 9.09 3.07 0.06 -3.56 2.96 -0.67 -4.83 118.68 124.80 1j8k s LEU 84 Ca 0.75 1.79 0.07 0.00 -0.22 0.00 0.00 54.13 56.51 1j8k s LEU 84 Cb -0.15 -4.52 -0.04 0.00 0.50 0.00 0.00 46.19 41.98 1j8k s LEU 84 CO 0.24 -1.90 -0.15 -0.63 -1.32 0.00 0.00 176.35 172.60 1j8k s ILE 85 N -2.90 3.05 -0.42 6.68 -1.09 -1.26 -1.52 121.20 123.75 1j8k s ILE 85 Ca 0.61 -1.18 0.05 0.00 -2.23 0.00 0.00 60.65 57.89 1j8k s ILE 85 Cb -0.17 -2.34 0.18 0.00 -1.58 0.00 0.00 42.46 38.55 1j8k s ILE 85 CO 0.55 0.27 0.39 0.61 -1.23 0.00 0.00 174.94 175.52 1j8k n GLY 86 N 1.27 2.00 3.56 6.18 0.00 0.40 -4.89 105.19 113.72 1j8k n GLY 86 Ca -0.15 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1j8k n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8k s THR 87 N 0.00 4.35 0.04 2.61 2.01 -1.26 -2.29 115.64 121.10 1j8k s THR 87 Ca 0.33 0.74 0.08 0.00 0.31 0.00 0.00 61.69 63.15 1j8k s THR 87 Cb 0.05 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1j8k s THR 87 CO -0.18 -0.99 -0.20 -1.10 -0.69 0.00 0.00 174.62 171.46 1j8k s GLN 88 N 4.06 2.02 -0.55 4.92 -1.52 -0.91 -4.95 119.66 122.74 1j8k s GLN 88 Ca 0.38 -1.00 -0.21 0.00 -1.95 0.00 0.00 55.36 52.58 1j8k s GLN 88 Cb -0.10 -2.14 0.06 0.00 -0.22 0.00 0.00 33.01 30.62 1j8k s GLN 88 CO 0.26 0.54 0.75 -1.12 -0.25 0.00 0.00 175.29 175.46 1j8k s SER 89 N -1.34 6.24 0.56 5.90 0.01 -1.26 -0.90 113.70 122.91 1j8k s SER 89 Ca 0.14 -0.88 -0.21 0.00 1.31 0.00 0.00 55.95 56.31 1j8k s SER 89 Cb -0.10 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1j8k s SER 89 CO 0.04 -1.07 1.29 0.41 0.41 0.00 0.00 173.24 174.32 1j8k n THR 90 N 5.77 3.88 0.00 1.44 -1.04 -1.08 -4.91 114.28 118.35 1j8k n THR 90 Ca -0.05 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1j8k n THR 90 Cb 0.45 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 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 -1.18 0.00 -2.38 2.41 0.00 -1.26 -3.93 120.51 114.17 1j8k n ALA 91 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1j8k n ALA 91 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 0.61 -1.46 0.00 -0.00 -1.26 -1.05 121.20 118.04 1j8k s ILE 92 Ca 0.00 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 58.54 1j8k s ILE 92 Cb 0.00 -2.58 0.04 0.00 -0.00 0.00 0.00 42.46 39.92 1j8k s ILE 92 CO 0.00 0.00 2.39 -0.81 -0.00 0.00 0.00 174.94 176.52 1j8k n PRO 93 N -0.62 3.47 0.00 0.37 -0.04 -1.26 -4.56 135.00 132.35 1j8k n PRO 93 Ca -0.01 -2.77 0.12 0.00 -0.04 0.00 0.00 63.50 60.80 1j8k n PRO 93 Cb 0.66 -3.00 0.11 0.00 -0.04 0.00 0.00 33.50 31.23 1j8k n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46