#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8k n ILE 2 N 0.00 0.00 0.20 -1.44 3.06 -1.26 -4.96 119.36 114.96 1j8k n ILE 2 Ca 0.00 -1.96 0.02 0.00 -2.50 0.00 0.00 62.75 58.31 1j8k n ILE 2 Cb 0.00 0.43 -0.02 0.00 0.54 0.00 0.00 39.64 40.59 1j8k n ILE 2 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1j8k n ASP 3 N -1.30 0.24 -1.95 9.51 2.03 -1.26 -5.02 116.55 118.80 1j8k n ASP 3 Ca -0.16 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1j8k n ASP 3 Cb 0.52 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.90 1j8k n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1j8k n ARG 4 N -1.06 -5.45 -1.02 -0.67 1.74 -1.26 -4.95 116.66 103.98 1j8k n ARG 4 Ca 0.01 3.93 -0.30 0.00 -0.77 0.00 0.00 57.85 60.71 1j8k n ARG 4 Cb 0.07 -4.32 0.25 0.00 -1.02 0.00 0.00 32.46 27.44 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 -1.94 -1.51 0.27 5.56 0.04 -1.26 -5.01 135.00 131.14 1j8k s PRO 5 Ca 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1j8k s PRO 5 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1j8k s PRO 5 CO 0.00 -3.90 0.00 1.17 0.04 0.00 0.00 177.00 174.31 1j8k n LYS 6 N -4.88 0.00 -4.98 4.56 4.81 -1.26 -4.95 118.16 111.46 1j8k n LYS 6 Ca 0.14 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.29 1j8k n LYS 6 Cb 0.60 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.48 1j8k n LYS 6 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1j8k s GLY 7 N -4.44 1.09 0.21 3.14 0.00 -1.26 -5.01 107.32 101.05 1j8k s GLY 7 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 43.97 1j8k s GLY 7 CO 0.00 -0.30 0.29 1.47 0.00 0.00 0.00 173.10 174.56 1j8k n LEU 8 N 3.36 0.00 -3.94 0.66 -0.00 -1.26 -3.03 117.00 112.79 1j8k n LEU 8 Ca -0.19 -0.92 -0.09 0.00 -0.00 0.00 0.00 56.01 54.81 1j8k n LEU 8 Cb 0.53 -0.15 -0.04 0.00 -0.00 0.00 0.00 43.42 43.76 1j8k n LEU 8 CO 0.26 -0.57 0.31 0.00 -0.00 0.00 0.00 177.39 177.39 1j8k s ALA 9 N -2.26 -0.59 -0.03 1.47 0.00 0.66 -4.87 121.76 116.15 1j8k s ALA 9 Ca 0.22 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1j8k s ALA 9 Cb -0.02 0.97 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1j8k s ALA 9 CO 0.14 -0.93 0.03 -0.06 0.00 0.00 0.00 175.76 174.94 1j8k s PHE 10 N -3.83 0.13 -0.18 0.00 0.08 -1.26 -2.06 117.98 110.85 1j8k s PHE 10 Ca 0.18 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.25 1j8k s PHE 10 Cb -0.03 -0.37 -0.21 0.00 -0.57 0.00 0.00 43.02 41.84 1j8k s PHE 10 CO 0.09 -0.14 0.16 2.41 -0.10 0.00 0.00 175.22 177.64 1j8k n THR 11 N 4.54 1.64 -3.69 0.64 -1.04 -1.01 -4.96 114.28 110.40 1j8k n THR 11 Ca -0.20 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.05 61.28 1j8k n THR 11 Cb 0.50 -1.80 -0.11 0.00 -1.82 0.00 0.00 70.33 67.10 1j8k n THR 11 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1j8k s ASP 12 N -6.97 -0.34 0.20 8.00 1.01 -1.20 -5.02 116.67 112.35 1j8k s ASP 12 Ca -0.28 0.82 0.09 0.00 0.71 0.00 0.00 52.55 53.89 1j8k s ASP 12 Cb 0.08 0.82 -0.04 0.00 1.01 0.00 0.00 42.92 44.78 1j8k s ASP 12 CO 0.66 -0.20 -0.06 0.54 0.21 0.00 0.00 175.17 176.32 1j8k s VAL 13 N 1.72 3.33 -0.28 -1.27 0.11 -1.26 -0.54 120.40 122.21 1j8k s VAL 13 Ca -0.07 -1.67 -0.22 0.00 -2.93 0.00 0.00 61.98 57.09 1j8k s VAL 13 Cb -0.10 -2.68 0.09 0.00 -1.53 0.00 0.00 36.38 32.17 1j8k s VAL 13 CO -0.12 -0.16 0.83 -0.62 -3.33 0.00 0.00 175.10 171.70 1j8k s ASP 14 N -3.01 -0.69 0.53 3.54 2.15 0.71 -4.56 116.67 115.34 1j8k s ASP 14 Ca 0.27 1.24 0.45 0.00 0.43 0.00 0.00 52.55 54.93 1j8k s ASP 14 Cb -0.08 1.27 1.66 0.00 -0.30 0.00 0.00 42.92 45.46 1j8k s ASP 14 CO 0.17 -0.21 1.60 1.62 -0.17 0.00 0.00 175.17 178.18 1j8k h VAL 15 N 4.24 0.06 -0.21 1.11 3.04 -1.59 0.34 116.25 123.24 1j8k h VAL 15 Ca -0.29 -0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.20 1j8k h VAL 15 Cb 1.18 0.05 -0.28 0.00 -2.01 0.00 0.00 31.29 30.23 1j8k h VAL 15 CO 0.11 0.00 -0.85 -0.90 -1.01 0.00 0.00 177.57 174.92 1j8k n ASP 16 N -4.14 2.00 -3.41 3.17 5.75 -1.26 -4.29 116.55 114.37 1j8k n ASP 16 Ca 0.42 -2.91 0.02 0.00 -0.01 0.00 0.00 54.79 52.31 1j8k n ASP 16 Cb 1.83 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 41.46 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1j8k s SER 17 N -2.99 -0.19 -0.16 -1.12 1.04 0.12 -2.79 113.70 107.61 1j8k s SER 17 Ca 0.37 0.28 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 1j8k s SER 17 Cb 0.37 1.17 0.08 0.00 0.10 0.00 0.00 66.02 67.74 1j8k s SER 17 CO -0.08 -0.04 0.26 -0.63 0.98 0.00 0.00 173.24 173.73 1j8k s ILE 18 N 1.74 -0.41 -0.50 -1.02 1.01 -0.78 0.26 121.20 121.49 1j8k s ILE 18 Ca -0.04 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 1j8k s ILE 18 Cb -0.02 -0.54 0.10 0.00 0.01 0.00 0.00 42.46 42.01 1j8k s ILE 18 CO -0.14 0.00 0.44 -0.75 0.00 0.00 0.00 174.94 174.49 1j8k s LYS 19 N 2.40 2.94 0.18 2.79 2.20 0.30 -1.83 119.74 128.73 1j8k s LYS 19 Ca 0.04 -1.55 0.04 0.00 -0.36 0.00 0.00 55.97 54.14 1j8k s LYS 19 Cb -0.13 -4.19 -0.04 0.00 -1.51 0.00 0.00 37.83 31.96 1j8k s LYS 19 CO -0.10 -1.18 0.23 0.96 -0.36 0.00 0.00 175.35 174.89 1j8k s ILE 20 N 1.60 4.90 -0.02 5.43 -5.25 -0.75 -2.41 121.20 124.70 1j8k s ILE 20 Ca 0.04 -0.95 0.00 0.00 -0.99 0.00 0.00 60.65 58.75 1j8k s ILE 20 Cb -0.27 -3.54 0.02 0.00 2.95 0.00 0.00 42.46 41.62 1j8k s ILE 20 CO 0.04 -0.15 0.00 0.00 -1.79 0.00 0.00 174.94 173.04 1j8k s ALA 21 N -1.81 0.23 0.31 2.27 0.00 -0.88 0.03 121.76 121.92 1j8k s ALA 21 Ca 0.33 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1j8k s ALA 21 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1j8k s ALA 21 CO 0.26 -0.05 0.16 1.67 0.00 0.00 0.00 175.76 177.80 1j8k s TRP 22 N 0.78 2.82 0.64 0.00 -2.14 -0.97 -0.24 118.94 119.83 1j8k s TRP 22 Ca -0.07 -0.29 -0.18 0.00 2.66 0.00 0.00 56.10 58.21 1j8k s TRP 22 Cb -0.11 -1.57 -0.02 0.00 -3.10 0.00 0.00 33.47 28.68 1j8k s TRP 22 CO -0.02 0.38 1.27 0.39 -2.66 0.00 0.00 176.95 176.31 1j8k n GLU 23 N -1.17 1.13 -2.45 3.25 1.02 -1.17 -4.84 120.64 116.41 1j8k n GLU 23 Ca -0.04 0.44 -0.31 0.00 -0.02 0.00 0.00 57.16 57.23 1j8k n GLU 23 Cb 0.60 -2.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.49 1j8k n GLU 23 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1j8k s SER 24 N -1.34 6.53 1.05 1.62 1.04 -1.26 -4.93 113.70 116.40 1j8k s SER 24 Ca 0.82 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 58.57 1j8k s SER 24 Cb -0.39 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.41 1j8k s SER 24 CO 0.41 -0.58 0.56 -0.81 0.98 0.00 0.00 173.24 173.81 1j8k n PRO 25 N -1.70 -1.19 0.00 4.02 -0.04 -1.26 -4.98 135.00 129.85 1j8k n PRO 25 Ca 0.05 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1j8k n PRO 25 Cb 0.54 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 1j8k n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1j8k n GLN 26 N -2.61 4.94 -1.56 0.54 1.13 -1.26 -4.73 117.38 113.83 1j8k n GLN 26 Ca 0.07 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.00 1j8k n GLN 26 Cb 0.27 -0.43 0.08 0.00 0.11 0.00 0.00 30.24 30.27 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 0.87 5.88 3.18 1.08 0.00 -1.26 -5.01 105.19 109.93 1j8k n GLY 27 Ca 0.00 -2.18 -0.17 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.83 -1.78 -0.61 1.61 7.27 -1.26 -4.88 117.38 116.90 1j8k n GLN 28 Ca 0.35 1.57 -0.30 0.00 0.07 0.00 0.00 57.00 58.69 1j8k n GLN 28 Cb 0.88 -2.92 0.20 0.00 2.41 0.00 0.00 30.24 30.81 1j8k n GLN 28 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1j8k n VAL 29 N 0.34 0.00 -0.10 1.69 3.14 -1.26 -4.97 118.33 117.17 1j8k n VAL 29 Ca -0.01 -0.16 -0.12 0.00 -2.96 0.00 0.00 64.34 61.09 1j8k n VAL 29 Cb 0.49 -0.99 -0.12 0.00 -1.06 0.00 0.00 33.84 32.16 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 -4.46 1.37 -3.78 6.55 2.88 -1.25 -5.01 113.62 109.92 1j8k n SER 30 Ca 0.09 -0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1j8k n SER 30 Cb 0.53 0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 64.18 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 -2.45 0.50 0.19 -1.46 3.00 -1.26 -4.79 118.95 112.69 1j8k s ARG 31 Ca -0.20 0.02 0.08 0.00 0.00 0.00 0.00 55.73 55.63 1j8k s ARG 31 Cb 0.07 0.23 -0.04 0.00 0.00 0.00 0.00 34.95 35.20 1j8k s ARG 31 CO 0.64 -0.11 0.02 -0.47 0.00 0.00 0.00 175.30 175.38 1j8k s TYR 32 N -0.72 2.86 -0.49 -0.53 5.04 -1.26 -0.53 117.35 121.71 1j8k s TYR 32 Ca -0.08 -0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.44 1j8k s TYR 32 Cb -0.04 -1.36 0.13 0.00 0.35 0.00 0.00 41.96 41.04 1j8k s TYR 32 CO 0.02 0.54 0.24 0.50 -1.34 0.00 0.00 175.55 175.51 1j8k s ARG 33 N -3.14 1.82 -0.72 4.97 3.52 0.22 -4.51 118.95 121.10 1j8k s ARG 33 Ca 0.29 -2.46 -0.21 0.00 -0.13 0.00 0.00 55.73 53.22 1j8k s ARG 33 Cb -0.09 -3.13 0.09 0.00 -1.56 0.00 0.00 34.95 30.26 1j8k s ARG 33 CO 0.20 -1.11 0.98 0.08 -0.81 0.00 0.00 175.30 174.64 1j8k s VAL 34 N -0.09 4.45 0.17 7.11 1.01 0.13 -2.20 120.40 130.99 1j8k s VAL 34 Ca 0.17 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1j8k s VAL 34 Cb -0.25 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.40 1j8k s VAL 34 CO -0.01 -1.45 0.03 0.42 0.00 0.00 0.00 175.10 174.10 1j8k s THR 35 N 3.64 3.91 -0.07 3.92 -4.23 0.05 0.79 115.64 123.65 1j8k s THR 35 Ca 0.24 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1j8k s THR 35 Cb -0.15 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.77 1j8k s THR 35 CO 0.05 -0.09 0.16 -0.72 -0.54 0.00 0.00 174.62 173.48 1j8k s TYR 36 N -1.71 -0.19 0.06 3.99 1.13 -0.99 0.22 117.35 119.87 1j8k s TYR 36 Ca 0.28 0.55 0.06 0.00 -1.41 0.00 0.00 57.07 56.55 1j8k s TYR 36 Cb -0.10 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 1j8k s TYR 36 CO 0.20 -0.20 -0.08 -1.54 -2.51 0.00 0.00 175.55 171.42 1j8k s SER 37 N 1.40 4.50 0.21 -0.18 1.04 0.33 -1.42 113.70 119.60 1j8k s SER 37 Ca -0.07 -0.28 -0.09 0.00 0.48 0.00 0.00 55.95 55.99 1j8k s SER 37 Cb -0.12 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 65.05 1j8k s SER 37 CO -0.06 0.22 0.35 -0.55 0.98 0.00 0.00 173.24 174.17 1j8k s SER 38 N -1.90 -0.00 -0.14 7.02 0.15 0.34 -2.44 113.70 116.72 1j8k s SER 38 Ca 0.20 -1.02 -0.00 0.00 0.70 0.00 0.00 55.95 55.83 1j8k s SER 38 Cb -0.11 0.50 0.13 0.00 -1.71 0.00 0.00 66.02 64.82 1j8k s SER 38 CO 0.12 -1.01 1.76 -0.81 1.20 0.00 0.00 173.24 174.50 1j8k n PRO 39 N -0.31 1.37 0.00 5.44 -0.04 -1.26 -3.18 135.00 137.02 1j8k n PRO 39 Ca -0.02 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1j8k n PRO 39 Cb 0.63 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.65 0.00 0.00 0.54 1.02 -1.26 -4.90 120.64 116.70 1j8k n GLU 40 Ca 0.15 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1j8k n GLU 40 Cb 0.62 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.70 1j8k n GLU 40 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j8k n ASP 41 N -0.63 0.04 0.00 1.62 8.00 -1.26 -5.00 116.55 119.32 1j8k n ASP 41 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1j8k n ASP 41 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1j8k n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j8k n GLY 42 N 1.41 1.14 3.28 0.44 0.00 -1.19 -4.91 105.19 105.37 1j8k n GLY 42 Ca 0.10 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 1.66 0.19 -0.61 2.07 -1.26 0.13 121.20 123.38 1j8k s ILE 43 Ca 0.00 -1.58 0.08 0.00 -1.41 0.00 0.00 60.65 57.74 1j8k s ILE 43 Cb 0.00 -1.55 -0.05 0.00 0.13 0.00 0.00 42.46 40.99 1j8k s ILE 43 CO 0.00 -0.12 -0.15 -1.00 -1.91 0.00 0.00 174.94 171.76 1j8k s HIS 44 N -1.33 1.72 -0.48 3.50 3.76 -0.51 -4.93 115.29 117.03 1j8k s HIS 44 Ca 0.07 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1j8k s HIS 44 Cb -0.09 -0.81 0.13 0.00 1.11 0.00 0.00 32.58 32.91 1j8k s HIS 44 CO 0.04 0.35 0.24 -1.21 -0.85 0.00 0.00 174.74 173.31 1j8k s GLU 45 N -3.42 2.01 -0.38 1.40 2.02 -1.26 -2.34 118.70 116.73 1j8k s GLU 45 Ca 0.20 -2.24 -0.22 0.00 0.02 0.00 0.00 54.97 52.74 1j8k s GLU 45 Cb -0.02 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.76 1j8k s GLU 45 CO 0.07 -1.08 0.71 -1.17 0.02 0.00 0.00 175.26 173.81 1j8k s LEU 46 N 0.38 4.24 -0.62 1.80 2.96 0.24 -4.91 118.68 122.77 1j8k s LEU 46 Ca 0.14 0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 1j8k s LEU 46 Cb -0.22 -2.88 0.21 0.00 0.50 0.00 0.00 46.19 43.80 1j8k s LEU 46 CO -0.04 -0.71 0.60 2.22 -1.32 0.00 0.00 176.35 177.10 1j8k n PHE 47 N 6.29 2.69 -2.44 5.38 -1.74 -1.26 0.22 117.46 126.61 1j8k n PHE 47 Ca 0.01 -4.08 -0.43 0.00 -0.56 0.00 0.00 57.45 52.39 1j8k n PHE 47 Cb 0.48 -0.49 0.00 0.00 1.52 0.00 0.00 39.48 40.99 1j8k n PHE 47 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1j8k n PRO 48 N 1.49 3.21 -0.96 3.97 -0.04 -1.26 -4.89 135.00 136.52 1j8k n PRO 48 Ca 0.25 -3.28 -0.43 0.00 -0.04 0.00 0.00 63.50 60.00 1j8k n PRO 48 Cb 0.41 -3.28 -0.09 0.00 -0.04 0.00 0.00 33.50 30.49 1j8k n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8k n ALA 49 N 6.74 0.17 -1.00 0.55 0.00 -1.26 -4.83 120.51 120.88 1j8k n ALA 49 Ca 0.46 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1j8k n ALA 49 Cb 0.43 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1j8k n ALA 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j8k n PRO 50 N 5.70 0.16 0.00 0.00 -0.04 -1.26 -5.01 135.00 134.55 1j8k n PRO 50 Ca 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1j8k n PRO 50 Cb -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 1j8k n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j8k n ASP 51 N -1.40 0.34 0.00 3.54 -0.08 -1.26 -5.01 116.55 112.67 1j8k n ASP 51 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1j8k n ASP 51 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1j8k n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j8k n GLY 52 N 1.67 -0.98 0.03 0.27 0.00 -1.26 -4.93 105.19 99.98 1j8k n GLY 52 Ca 0.00 0.33 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1j8k n GLY 52 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j8k n GLU 53 N 0.00 0.10 -3.22 1.61 0.00 -1.26 -4.53 120.64 113.34 1j8k n GLU 53 Ca 0.00 0.04 -0.45 0.00 0.00 0.00 0.00 57.16 56.75 1j8k n GLU 53 Cb 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 31.44 29.85 1j8k n GLU 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1j8k s GLU 54 N -3.05 3.90 -0.31 5.31 2.02 -1.26 -4.80 118.70 120.50 1j8k s GLU 54 Ca 0.10 -2.67 0.08 0.00 0.02 0.00 0.00 54.97 52.51 1j8k s GLU 54 Cb 0.16 -4.64 0.54 0.00 0.10 0.00 0.00 34.13 30.29 1j8k s GLU 54 CO 0.65 -1.41 1.54 -0.25 0.02 0.00 0.00 175.26 175.81 1j8k n ASP 55 N 4.11 2.72 -4.10 -0.19 8.00 -1.26 -4.44 116.55 121.39 1j8k n ASP 55 Ca 0.22 -3.73 -0.21 0.00 0.71 0.00 0.00 54.79 51.78 1j8k n ASP 55 Cb 0.44 -0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 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 -3.25 0.53 0.04 -3.53 -4.23 -1.26 -2.29 115.64 101.65 1j8k s THR 56 Ca 0.47 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1j8k s THR 56 Cb 0.42 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 1j8k s THR 56 CO 0.02 0.00 -0.13 0.00 -0.54 0.00 0.00 174.62 173.97 1j8k s ALA 57 N -3.47 1.07 -0.74 3.99 0.00 0.10 -4.97 121.76 117.76 1j8k s ALA 57 Ca 0.33 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1j8k s ALA 57 Cb 0.05 -0.14 0.18 0.00 0.00 0.00 0.00 23.12 23.21 1j8k s ALA 57 CO 0.16 0.18 0.58 -1.21 0.00 0.00 0.00 175.76 175.47 1j8k s GLU 58 N -1.21 2.84 -1.29 0.00 2.02 -1.26 -1.81 118.70 117.98 1j8k s GLU 58 Ca -0.00 -2.89 -0.15 0.00 0.02 0.00 0.00 54.97 51.95 1j8k s GLU 58 Cb -0.08 -3.80 0.11 0.00 0.10 0.00 0.00 34.13 30.46 1j8k s GLU 58 CO 0.01 -1.22 1.72 1.28 0.02 0.00 0.00 175.26 177.07 1j8k n LEU 59 N 2.92 5.41 -4.44 1.80 4.77 -0.76 -4.94 117.00 121.76 1j8k n LEU 59 Ca 0.14 -4.18 -0.37 0.00 -0.03 0.00 0.00 56.01 51.57 1j8k n LEU 59 Cb 0.37 -1.68 -0.12 0.00 -2.33 0.00 0.00 43.42 39.66 1j8k n LEU 59 CO 0.34 0.55 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.59 1j8k s GLN 60 N 2.95 3.58 0.00 3.23 -0.21 -1.26 -1.87 119.66 126.07 1j8k s GLN 60 Ca 0.48 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.33 1j8k s GLN 60 Cb 0.04 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.67 1j8k s GLN 60 CO 0.03 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1j8k n GLY 61 N 4.93 1.22 0.00 3.09 0.00 -1.12 -4.99 105.19 108.33 1j8k n GLY 61 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.07 0.99 4.77 -1.26 -5.04 117.00 116.54 1j8k n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1j8k n LEU 62 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1j8k n LEU 62 CO 0.00 -0.30 -0.08 0.54 -1.33 0.00 0.00 177.39 176.22 1j8k n ARG 63 N -0.46 0.00 -2.35 3.23 3.00 -1.26 -4.87 116.66 113.95 1j8k n ARG 63 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.59 1j8k n ARG 63 Cb 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 32.46 32.29 1j8k n ARG 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1j8k s PRO 64 N -2.00 1.90 -0.39 5.56 0.04 -1.26 -4.90 135.00 133.95 1j8k s PRO 64 Ca 0.00 -0.61 0.12 0.00 0.04 0.00 0.00 61.00 60.55 1j8k s PRO 64 Cb 0.00 -2.23 0.41 0.00 0.04 0.00 0.00 34.50 32.72 1j8k s PRO 64 CO 0.00 -1.36 0.92 0.41 0.04 0.00 0.00 177.00 177.00 1j8k n GLY 65 N -2.91 3.48 0.00 0.56 0.00 -1.26 -4.56 105.19 100.50 1j8k n GLY 65 Ca 0.11 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.07 0.87 -4.54 1.61 2.88 -1.26 -4.09 113.62 109.02 1j8k n SER 66 Ca 0.22 -0.43 -0.14 0.00 -1.33 0.00 0.00 58.87 57.19 1j8k n SER 66 Cb 0.69 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.39 -2.87 -1.46 2.13 -1.26 -0.85 120.64 116.72 1j8k n GLU 67 Ca 0.00 -0.91 -0.40 0.00 0.66 0.00 0.00 57.16 56.51 1j8k n GLU 67 Cb 0.00 -3.39 -0.05 0.00 0.27 0.00 0.00 31.44 28.27 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 13.44 3.86 -0.24 4.31 6.14 -0.87 -4.84 117.35 139.15 1j8k s TYR 68 Ca 0.92 1.70 -0.13 0.00 0.64 0.00 0.00 57.07 60.21 1j8k s TYR 68 Cb -0.18 -2.90 -0.05 0.00 0.42 0.00 0.00 41.96 39.25 1j8k s TYR 68 CO 0.15 0.37 0.26 0.99 0.64 0.00 0.00 175.55 177.96 1j8k s THR 69 N -0.62 5.28 -0.02 4.34 2.01 -1.02 -2.66 115.64 122.94 1j8k s THR 69 Ca 0.40 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.84 1j8k s THR 69 Cb -0.23 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1j8k s THR 69 CO 0.28 0.28 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 1j8k s VAL 70 N 1.37 1.41 -0.22 3.82 1.01 -0.85 0.12 120.40 127.07 1j8k s VAL 70 Ca 0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1j8k s VAL 70 Cb -0.15 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1j8k s VAL 70 CO 0.07 0.40 -0.12 -0.44 0.00 0.00 0.00 175.10 175.01 1j8k s SER 71 N -0.32 3.85 -0.25 3.32 0.01 0.61 0.87 113.70 121.79 1j8k s SER 71 Ca 0.05 -0.81 -0.09 0.00 1.31 0.00 0.00 55.95 56.40 1j8k s SER 71 Cb -0.08 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 1j8k s SER 71 CO -0.00 -0.07 0.13 -0.69 0.41 0.00 0.00 173.24 173.01 1j8k s VAL 72 N 1.29 4.92 0.01 3.43 1.01 0.45 -0.77 120.40 130.74 1j8k s VAL 72 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1j8k s VAL 72 Cb -0.15 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1j8k s VAL 72 CO -0.08 0.32 -0.03 -0.69 0.00 0.00 0.00 175.10 174.63 1j8k s VAL 73 N 1.40 0.15 0.45 2.92 1.01 -0.93 0.58 120.40 125.99 1j8k s VAL 73 Ca 0.06 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1j8k s VAL 73 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1j8k s VAL 73 CO 0.06 -0.21 0.65 0.00 0.00 0.00 0.00 175.10 175.60 1j8k s ALA 74 N -0.71 3.87 0.22 5.51 0.00 -1.26 0.70 121.76 130.08 1j8k s ALA 74 Ca -0.07 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1j8k s ALA 74 Cb -0.05 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1j8k s ALA 74 CO -0.00 -0.38 0.07 1.28 0.00 0.00 0.00 175.76 176.73 1j8k n LEU 75 N -2.05 0.00 -2.71 0.00 4.77 0.31 -4.32 117.00 112.99 1j8k n LEU 75 Ca 0.02 -1.65 -0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1j8k n LEU 75 Cb 0.58 0.53 0.02 0.00 -2.33 0.00 0.00 43.42 42.22 1j8k n LEU 75 CO 0.46 -0.25 0.49 -2.28 -1.33 0.00 0.00 177.39 174.47 1j8k s HIS 76 N -2.33 -0.30 0.00 -1.77 2.46 -1.26 -3.79 115.29 108.29 1j8k s HIS 76 Ca 0.10 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.62 1j8k s HIS 76 Cb 0.01 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.51 1j8k s HIS 76 CO 0.07 -0.22 0.00 -3.47 -2.47 0.00 0.00 174.74 168.66 1j8k n ASP 77 N 3.20 0.00 -2.66 9.88 -0.08 -1.26 -3.78 116.55 121.85 1j8k n ASP 77 Ca 0.08 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1j8k n ASP 77 Cb 0.64 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.19 1j8k n ASP 77 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1j8k n ASP 78 N 2.06 -1.21 -3.98 1.67 5.75 -1.26 -5.15 116.55 114.43 1j8k n ASP 78 Ca 0.00 -1.73 -0.08 0.00 -0.01 0.00 0.00 54.79 52.97 1j8k n ASP 78 Cb 0.00 0.80 -0.10 0.00 -1.03 0.00 0.00 41.12 40.79 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1j8k s MET 79 N 0.07 0.58 -0.54 0.11 -1.94 -1.25 -5.11 119.30 111.22 1j8k s MET 79 Ca 0.24 -0.91 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1j8k s MET 79 Cb 0.23 0.22 0.15 0.00 2.01 0.00 0.00 34.83 37.44 1j8k s MET 79 CO -0.11 -0.13 0.35 -1.21 -0.01 0.00 0.00 175.02 173.91 1j8k s GLU 80 N -3.00 1.70 1.15 2.03 2.02 -1.26 -4.40 118.70 116.95 1j8k s GLU 80 Ca -0.02 -2.58 -0.19 0.00 0.02 0.00 0.00 54.97 52.21 1j8k s GLU 80 Cb 0.01 -2.64 0.29 0.00 0.10 0.00 0.00 34.13 31.89 1j8k s GLU 80 CO -0.06 -1.25 0.99 0.43 0.02 0.00 0.00 175.26 175.38 1j8k n SER 81 N 2.79 -2.17 -4.62 -0.19 7.64 -1.26 -4.80 113.62 111.01 1j8k n SER 81 Ca 0.17 -1.09 -0.57 0.00 1.01 0.00 0.00 58.87 58.38 1j8k n SER 81 Cb 0.37 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 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 -4.64 0.92 -2.26 1.43 3.00 -1.26 -4.84 117.38 109.73 1j8k n GLN 82 Ca 0.14 0.32 -0.42 0.00 -0.01 0.00 0.00 57.00 57.02 1j8k n GLN 82 Cb 0.54 -2.06 -0.03 0.00 0.00 0.00 0.00 30.24 28.70 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 4.28 4.27 -0.18 -1.09 0.04 -1.26 -4.45 135.00 136.60 1j8k s PRO 83 Ca 1.03 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 63.68 1j8k s PRO 83 Cb -1.11 -3.67 -0.00 0.00 0.04 0.00 0.00 34.50 29.75 1j8k s PRO 83 CO 0.64 -0.62 1.09 -1.17 0.04 0.00 0.00 177.00 176.98 1j8k s LEU 84 N 2.83 4.16 0.17 -3.56 2.96 0.20 -4.87 118.68 120.57 1j8k s LEU 84 Ca 0.62 1.50 -0.09 0.00 -0.22 0.00 0.00 54.13 55.94 1j8k s LEU 84 Cb -0.29 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.79 1j8k s LEU 84 CO 0.24 -0.64 0.48 -0.63 -1.32 0.00 0.00 176.35 174.48 1j8k s ILE 85 N 2.99 5.00 -0.39 6.68 -1.09 -1.26 0.17 121.20 133.29 1j8k s ILE 85 Ca 0.48 0.43 0.03 0.00 -2.23 0.00 0.00 60.65 59.36 1j8k s ILE 85 Cb -0.18 -3.64 0.16 0.00 -1.58 0.00 0.00 42.46 37.22 1j8k s ILE 85 CO 0.11 0.07 0.35 -0.83 -1.23 0.00 0.00 174.94 173.41 1j8k s GLY 86 N -2.16 0.54 -0.40 6.18 0.00 0.25 -4.87 107.32 106.85 1j8k s GLY 86 Ca 0.42 -1.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.27 1j8k s GLY 86 CO 0.21 2.43 0.38 -1.59 0.00 0.00 0.00 173.10 174.53 1j8k s THR 87 N 0.78 5.16 -0.02 0.90 2.01 -1.26 -2.01 115.64 121.19 1j8k s THR 87 Ca 0.24 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1j8k s THR 87 Cb -0.09 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1j8k s THR 87 CO -0.08 -0.32 -0.05 -1.58 -0.69 0.00 0.00 174.62 171.90 1j8k s GLN 88 N 1.97 0.59 -0.15 4.92 -0.44 -1.09 -4.94 119.66 120.52 1j8k s GLN 88 Ca 0.10 -0.14 -0.29 0.00 -2.50 0.00 0.00 55.36 52.52 1j8k s GLN 88 Cb -0.18 -0.60 -0.03 0.00 -1.64 0.00 0.00 33.01 30.57 1j8k s GLN 88 CO 0.12 0.03 1.45 -1.54 0.50 0.00 0.00 175.29 175.85 1j8k s SER 89 N 0.35 6.74 0.98 6.67 1.04 -1.26 -2.05 113.70 126.17 1j8k s SER 89 Ca -0.04 1.80 -0.13 0.00 0.48 0.00 0.00 55.95 58.06 1j8k s SER 89 Cb -0.08 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.59 1j8k s SER 89 CO -0.00 -0.93 0.53 0.41 0.98 0.00 0.00 173.24 174.23 1j8k n THR 90 N 5.67 0.00 -2.92 2.02 -1.04 -0.03 -4.83 114.28 113.15 1j8k n THR 90 Ca 0.16 -0.18 -0.44 0.00 -2.04 0.00 0.00 64.05 61.55 1j8k n THR 90 Cb 0.44 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 1j8k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8k s ALA 91 N -2.42 3.31 0.76 2.41 0.00 -1.26 -4.46 121.76 120.10 1j8k s ALA 91 Ca 0.59 -2.55 -0.17 0.00 0.00 0.00 0.00 51.96 49.83 1j8k s ALA 91 Cb -0.20 -3.99 -0.15 0.00 0.00 0.00 0.00 23.12 18.77 1j8k s ALA 91 CO 0.65 -2.92 -0.47 0.44 0.00 0.00 0.00 175.76 173.46 1j8k n ILE 92 N 5.61 0.02 -2.61 0.00 -6.64 -1.26 -1.70 119.36 112.77 1j8k n ILE 92 Ca 0.17 -0.50 -0.42 0.00 -1.77 0.00 0.00 62.75 60.23 1j8k n ILE 92 Cb 0.48 -0.01 -0.03 0.00 -1.44 0.00 0.00 39.64 38.64 1j8k n ILE 92 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1j8k s PRO 93 N -1.55 3.42 0.00 6.28 0.04 -1.26 -4.76 135.00 137.17 1j8k s PRO 93 Ca 0.48 0.08 0.20 0.00 0.04 0.00 0.00 61.00 61.79 1j8k s PRO 93 Cb -0.33 -4.06 1.17 0.00 0.04 0.00 0.00 34.50 31.32 1j8k s PRO 93 CO 0.75 -1.75 1.56 0.00 0.04 0.00 0.00 177.00 177.59