#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 2.13 0.08 -1.44 1.10 -1.26 -4.88 121.20 116.93 1j8k s ILE 2 Ca 0.00 -1.93 -0.30 0.00 -0.51 0.00 0.00 60.65 57.91 1j8k s ILE 2 Cb 0.00 -2.97 -0.16 0.00 0.15 0.00 0.00 42.46 39.48 1j8k s ILE 2 CO 0.00 -0.02 1.64 -0.78 -2.11 0.00 0.00 174.94 173.67 1j8k h ASP 3 N 1.69 -0.68 -5.05 4.50 3.58 -1.95 -3.46 116.42 115.06 1j8k h ASP 3 Ca -0.43 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 56.99 1j8k h ASP 3 Cb 1.24 0.20 0.05 0.00 1.72 0.00 0.00 39.33 42.55 1j8k h ASP 3 CO 0.77 -0.43 -0.21 0.54 -2.88 0.00 0.00 179.24 177.03 1j8k n ARG 4 N -5.40 -1.36 -0.50 0.28 1.74 -1.26 -4.78 116.66 105.38 1j8k n ARG 4 Ca -0.11 1.18 -0.13 0.00 -0.77 0.00 0.00 57.85 58.02 1j8k n ARG 4 Cb 0.30 -5.17 0.11 0.00 -1.02 0.00 0.00 32.46 26.68 1j8k n ARG 4 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1j8k n PRO 5 N -2.04 -1.79 0.00 5.56 -0.04 -1.26 -4.99 135.00 130.44 1j8k n PRO 5 Ca -0.02 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1j8k n PRO 5 Cb 0.53 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 1j8k n PRO 5 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1j8k n LYS 6 N -2.88 0.00 -3.63 0.54 0.00 -1.26 -4.88 118.16 106.04 1j8k n LYS 6 Ca 0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.98 1j8k n LYS 6 Cb 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.19 1j8k n LYS 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1j8k s GLY 7 N 0.00 1.98 0.31 2.58 0.00 -1.26 -5.02 107.32 105.91 1j8k s GLY 7 Ca 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 44.72 42.41 1j8k s GLY 7 CO 0.00 1.00 0.54 0.48 0.00 0.00 0.00 173.10 175.12 1j8k s LEU 8 N 1.36 4.04 0.08 0.66 0.05 -1.26 -2.75 118.68 120.85 1j8k s LEU 8 Ca 0.04 0.58 0.06 0.00 0.05 0.00 0.00 54.13 54.86 1j8k s LEU 8 Cb -0.24 -3.42 -0.03 0.00 -2.05 0.00 0.00 46.19 40.45 1j8k s LEU 8 CO 0.00 -0.23 -0.16 0.00 -0.55 0.00 0.00 176.35 175.41 1j8k s ALA 9 N -2.18 1.31 -0.14 1.48 0.00 -0.04 -4.97 121.76 117.22 1j8k s ALA 9 Ca 0.42 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1j8k s ALA 9 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1j8k s ALA 9 CO 0.33 0.21 -0.01 -0.06 0.00 0.00 0.00 175.76 176.23 1j8k s PHE 10 N -1.24 3.10 -0.27 0.00 0.08 -1.26 -1.52 117.98 116.87 1j8k s PHE 10 Ca -0.00 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.89 1j8k s PHE 10 Cb -0.10 -1.93 -0.14 0.00 -0.57 0.00 0.00 43.02 40.29 1j8k s PHE 10 CO 0.03 0.16 -0.31 2.41 -0.10 0.00 0.00 175.22 177.40 1j8k n THR 11 N 3.10 1.51 -3.65 0.64 -1.04 -0.13 -4.97 114.28 109.75 1j8k n THR 11 Ca -0.18 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.05 61.33 1j8k n THR 11 Cb 0.53 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.27 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 -7.14 -1.01 -0.51 8.00 -1.08 -1.19 -4.95 116.67 108.79 1j8k s ASP 12 Ca -0.37 1.52 -0.07 0.00 -0.52 0.00 0.00 52.55 53.10 1j8k s ASP 12 Cb 0.13 1.78 0.13 0.00 -1.46 0.00 0.00 42.92 43.50 1j8k s ASP 12 CO 0.53 -0.23 0.36 0.54 0.52 0.00 0.00 175.17 176.89 1j8k s VAL 13 N 2.22 4.04 -0.10 1.11 0.11 -1.26 -0.00 120.40 126.51 1j8k s VAL 13 Ca -0.08 -2.08 -0.04 0.00 -2.93 0.00 0.00 61.98 56.85 1j8k s VAL 13 Cb -0.08 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1j8k s VAL 13 CO -0.19 -0.79 0.07 -0.62 -3.33 0.00 0.00 175.10 170.23 1j8k s ASP 14 N 2.16 5.78 0.47 3.54 -1.08 0.76 -4.50 116.67 123.79 1j8k s ASP 14 Ca 0.09 0.30 0.34 0.00 -0.52 0.00 0.00 52.55 52.76 1j8k s ASP 14 Cb -0.23 -1.75 1.48 0.00 -1.46 0.00 0.00 42.92 40.95 1j8k s ASP 14 CO -0.02 0.39 1.64 1.62 0.52 0.00 0.00 175.17 179.32 1j8k h VAL 15 N 4.08 0.14 -0.51 1.11 3.04 -1.86 0.40 116.25 122.66 1j8k h VAL 15 Ca -0.53 -0.03 -0.37 0.00 -1.01 0.00 0.00 66.70 64.76 1j8k h VAL 15 Cb 1.21 0.06 -0.32 0.00 -2.01 0.00 0.00 31.29 30.23 1j8k h VAL 15 CO 0.56 0.01 -0.78 -0.67 -1.01 0.00 0.00 177.57 175.68 1j8k n ASP 16 N -4.50 3.66 -3.19 3.17 2.03 -1.26 -4.31 116.55 112.15 1j8k n ASP 16 Ca 0.37 -3.54 0.04 0.00 0.52 0.00 0.00 54.79 52.18 1j8k n ASP 16 Cb 1.50 -0.40 -0.04 0.00 -0.72 0.00 0.00 41.12 41.46 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1j8k s SER 17 N -3.47 -0.07 -0.18 1.67 1.04 0.14 -2.49 113.70 110.34 1j8k s SER 17 Ca 0.45 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1j8k s SER 17 Cb 0.39 1.07 0.04 0.00 0.10 0.00 0.00 66.02 67.63 1j8k s SER 17 CO -0.00 -0.01 -0.07 -0.63 0.98 0.00 0.00 173.24 173.50 1j8k s ILE 18 N 2.02 1.34 -0.26 -1.02 -1.09 0.07 0.27 121.20 122.54 1j8k s ILE 18 Ca 0.00 -0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 57.42 1j8k s ILE 18 Cb -0.01 -1.49 -0.03 0.00 -1.58 0.00 0.00 42.46 39.36 1j8k s ILE 18 CO -0.16 0.13 0.53 -0.54 -1.23 0.00 0.00 174.94 173.67 1j8k s LYS 19 N 1.53 4.08 0.17 2.79 -0.14 1.00 -2.02 119.74 127.14 1j8k s LYS 19 Ca -0.00 0.37 0.08 0.00 -1.36 0.00 0.00 55.97 55.06 1j8k s LYS 19 Cb -0.16 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.30 1j8k s LYS 19 CO -0.08 -0.35 -0.18 0.96 -0.76 0.00 0.00 175.35 174.94 1j8k s ILE 20 N 2.31 1.81 -0.09 2.17 -5.25 -1.08 -0.95 121.20 120.11 1j8k s ILE 20 Ca 0.22 -1.95 -0.03 0.00 -0.99 0.00 0.00 60.65 57.90 1j8k s ILE 20 Cb -0.16 -1.86 0.04 0.00 2.95 0.00 0.00 42.46 43.43 1j8k s ILE 20 CO 0.09 -0.35 0.08 0.00 -1.79 0.00 0.00 174.94 172.97 1j8k s ALA 21 N -2.15 0.28 0.27 2.27 0.00 -0.57 -0.95 121.76 120.92 1j8k s ALA 21 Ca 0.16 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1j8k s ALA 21 Cb -0.05 -0.79 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 1j8k s ALA 21 CO 0.07 -0.76 0.63 1.67 0.00 0.00 0.00 175.76 177.37 1j8k s TRP 22 N 2.17 3.40 0.17 0.00 -2.14 -0.75 -0.86 118.94 120.92 1j8k s TRP 22 Ca 0.04 1.03 -0.31 0.00 2.66 0.00 0.00 56.10 59.51 1j8k s TRP 22 Cb -0.14 -2.38 -0.17 0.00 -3.10 0.00 0.00 33.47 27.68 1j8k s TRP 22 CO -0.05 0.19 0.79 -1.91 -2.66 0.00 0.00 176.95 173.30 1j8k n GLU 23 N -0.25 0.35 -1.61 3.25 2.13 -1.11 -4.83 120.64 118.57 1j8k n GLU 23 Ca 0.02 0.12 -0.36 0.00 0.66 0.00 0.00 57.16 57.60 1j8k n GLU 23 Cb 0.53 -1.35 0.08 0.00 0.27 0.00 0.00 31.44 30.97 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 1.80 1.81 -3.34 4.31 3.41 -1.26 -4.90 113.62 115.46 1j8k n SER 24 Ca 0.17 0.78 -0.22 0.00 -0.26 0.00 0.00 58.87 59.34 1j8k n SER 24 Cb 0.22 -1.54 0.17 0.00 -0.26 0.00 0.00 64.21 62.81 1j8k n SER 24 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1j8k n PRO 25 N -2.10 -1.85 0.00 4.33 -0.04 -1.26 -4.95 135.00 129.13 1j8k n PRO 25 Ca 0.15 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1j8k n PRO 25 Cb 0.48 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -3.58 1.61 -1.49 0.54 6.02 -1.26 -4.81 117.38 114.41 1j8k n GLN 26 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.92 1j8k n GLN 26 Cb 0.43 -0.74 0.09 0.00 1.02 0.00 0.00 30.24 31.04 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 1.85 5.86 2.64 1.08 0.00 -1.26 -5.02 105.19 110.33 1j8k n GLY 27 Ca 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.88 -3.15 -2.43 1.61 7.27 -1.26 -4.83 117.38 113.70 1j8k n GLN 28 Ca 0.43 2.43 -0.42 0.00 0.07 0.00 0.00 57.00 59.51 1j8k n GLN 28 Cb 0.91 -3.17 -0.03 0.00 2.41 0.00 0.00 30.24 30.36 1j8k n GLN 28 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1j8k s VAL 29 N -0.37 4.07 -0.41 1.69 1.01 -1.26 -4.90 120.40 120.23 1j8k s VAL 29 Ca -0.12 1.48 0.23 0.00 0.00 0.00 0.00 61.98 63.57 1j8k s VAL 29 Cb 0.01 -3.95 0.27 0.00 0.00 0.00 0.00 36.38 32.71 1j8k s VAL 29 CO 0.33 0.10 1.50 -1.28 0.00 0.00 0.00 175.10 175.76 1j8k h SER 30 N 6.87 0.00 -4.57 3.32 0.87 -1.86 -3.38 113.55 114.80 1j8k h SER 30 Ca -0.41 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.07 1j8k h SER 30 Cb 1.21 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.97 1j8k h SER 30 CO 0.82 0.00 0.03 -0.60 -0.53 0.00 0.00 176.83 176.55 1j8k s ARG 31 N -3.24 0.85 -0.03 2.24 3.52 -1.26 -4.54 118.95 116.48 1j8k s ARG 31 Ca 0.06 0.42 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 1j8k s ARG 31 Cb 0.06 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.85 1j8k s ARG 31 CO 0.69 -0.20 -0.13 -0.47 -0.81 0.00 0.00 175.30 174.38 1j8k s TYR 32 N -0.59 1.28 -0.63 5.12 6.14 -1.26 -0.58 117.35 126.83 1j8k s TYR 32 Ca -0.07 -0.35 -0.02 0.00 0.64 0.00 0.00 57.07 57.27 1j8k s TYR 32 Cb -0.03 -0.89 0.16 0.00 0.42 0.00 0.00 41.96 41.63 1j8k s TYR 32 CO 0.05 -0.13 0.44 0.50 0.64 0.00 0.00 175.55 177.05 1j8k s ARG 33 N 0.13 2.56 -0.88 4.97 3.52 -0.49 -4.14 118.95 124.62 1j8k s ARG 33 Ca -0.03 -2.57 -0.18 0.00 -0.13 0.00 0.00 55.73 52.81 1j8k s ARG 33 Cb -0.10 -3.71 0.13 0.00 -1.56 0.00 0.00 34.95 29.71 1j8k s ARG 33 CO 0.01 -1.17 1.06 0.08 -0.81 0.00 0.00 175.30 174.46 1j8k s VAL 34 N -0.13 4.80 -0.06 7.11 1.01 0.41 -2.18 120.40 131.35 1j8k s VAL 34 Ca 0.17 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 1j8k s VAL 34 Cb -0.20 -4.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.40 1j8k s VAL 34 CO -0.03 -1.43 0.28 0.42 0.00 0.00 0.00 175.10 174.33 1j8k s THR 35 N 2.51 5.27 -0.01 3.92 -4.23 -0.76 -0.86 115.64 121.48 1j8k s THR 35 Ca 0.29 0.53 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1j8k s THR 35 Cb -0.07 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1j8k s THR 35 CO -0.07 0.59 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.86 1j8k s TYR 36 N -1.00 0.28 0.20 3.99 1.13 -0.42 0.18 117.35 121.70 1j8k s TYR 36 Ca 0.19 -0.04 0.04 0.00 -1.41 0.00 0.00 57.07 55.86 1j8k s TYR 36 Cb -0.14 -0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 1j8k s TYR 36 CO 0.09 -0.04 0.17 -1.13 -2.51 0.00 0.00 175.55 172.13 1j8k n SER 37 N 3.29 -0.44 -3.95 -0.18 3.41 -0.63 -0.74 113.62 114.38 1j8k n SER 37 Ca -0.16 -2.31 -0.09 0.00 -0.26 0.00 0.00 58.87 56.05 1j8k n SER 37 Cb 0.57 1.02 -0.08 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.39 0.18 0.00 4.04 0.15 0.52 -2.49 113.70 113.70 1j8k s SER 38 Ca 0.24 -0.82 -0.03 0.00 0.70 0.00 0.00 55.95 56.03 1j8k s SER 38 Cb 0.01 0.34 -0.14 0.00 -1.71 0.00 0.00 66.02 64.52 1j8k s SER 38 CO 0.17 -0.75 2.50 -0.81 1.20 0.00 0.00 173.24 175.55 1j8k n PRO 39 N -0.08 1.31 0.00 5.44 -0.04 -1.26 -3.74 135.00 136.64 1j8k n PRO 39 Ca -0.12 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1j8k n PRO 39 Cb 0.62 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.28 0.00 -0.34 0.54 -0.58 -1.26 -4.96 120.64 116.33 1j8k n GLU 40 Ca 0.23 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 57.13 1j8k n GLU 40 Cb 0.61 0.00 0.37 0.00 -0.57 0.00 0.00 31.44 31.85 1j8k n GLU 40 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1j8k h ASP 41 N 0.00 0.60 0.00 1.62 3.32 -1.98 -3.47 116.42 116.51 1j8k h ASP 41 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1j8k h ASP 41 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1j8k h ASP 41 CO 0.00 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 1j8k n GLY 42 N -1.32 0.37 3.39 2.75 0.00 -1.25 -4.96 105.19 104.18 1j8k n GLY 42 Ca 0.26 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 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 1.32 -0.13 -0.61 2.07 -1.26 -0.36 121.20 122.23 1j8k s ILE 43 Ca 0.00 -2.06 -0.10 0.00 -1.41 0.00 0.00 60.65 57.07 1j8k s ILE 43 Cb 0.00 -2.46 0.04 0.00 0.13 0.00 0.00 42.46 40.17 1j8k s ILE 43 CO 0.00 -0.26 0.34 -2.28 -1.91 0.00 0.00 174.94 170.83 1j8k s HIS 44 N -3.22 -0.41 -0.16 3.50 5.65 0.08 -4.96 115.29 115.75 1j8k s HIS 44 Ca 0.30 0.97 -0.03 0.00 0.25 0.00 0.00 55.06 56.55 1j8k s HIS 44 Cb 0.05 0.14 -0.02 0.00 -1.18 0.00 0.00 32.58 31.58 1j8k s HIS 44 CO 0.11 -0.22 -0.05 -1.83 -0.65 0.00 0.00 174.74 172.10 1j8k s GLU 45 N 0.60 3.57 -0.28 2.88 -1.05 -1.26 -1.31 118.70 121.85 1j8k s GLU 45 Ca -0.03 -0.57 -0.05 0.00 -0.15 0.00 0.00 54.97 54.17 1j8k s GLU 45 Cb -0.05 -2.89 0.01 0.00 -0.44 0.00 0.00 34.13 30.76 1j8k s GLU 45 CO -0.04 0.15 0.04 -1.17 0.95 0.00 0.00 175.26 175.19 1j8k s LEU 46 N 0.58 3.64 -0.39 1.83 2.96 -0.04 -4.96 118.68 122.30 1j8k s LEU 46 Ca -0.04 -0.74 0.09 0.00 -0.22 0.00 0.00 54.13 53.23 1j8k s LEU 46 Cb -0.15 -1.82 0.29 0.00 0.50 0.00 0.00 46.19 45.02 1j8k s LEU 46 CO 0.03 -0.17 0.65 2.22 -1.32 0.00 0.00 176.35 177.75 1j8k n PHE 47 N 4.81 -0.40 -1.14 5.38 -1.74 -1.26 -0.45 117.46 122.66 1j8k n PHE 47 Ca -0.15 -3.51 -0.25 0.00 -0.56 0.00 0.00 57.45 52.97 1j8k n PHE 47 Cb 0.48 -0.20 -0.10 0.00 1.52 0.00 0.00 39.48 41.18 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 0.93 2.82 0.00 3.97 -0.04 -1.26 -4.78 135.00 136.64 1j8k n PRO 48 Ca 0.21 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1j8k n PRO 48 Cb 0.59 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.07 0.00 -1.00 0.55 0.00 -1.26 -4.85 120.51 117.01 1j8k n ALA 49 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1j8k n ALA 49 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 0.56 -3.02 0.00 -0.04 -1.26 -4.89 135.00 126.35 1j8k n PRO 50 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1j8k n PRO 50 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.76 -1.95 -4.13 3.54 2.03 -1.26 -4.65 116.55 109.37 1j8k n ASP 51 Ca 0.00 -2.77 -0.30 0.00 0.52 0.00 0.00 54.79 52.24 1j8k n ASP 51 Cb 0.00 0.71 -0.04 0.00 -0.72 0.00 0.00 41.12 41.07 1j8k n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j8k n GLY 52 N 2.50 -0.26 0.00 0.27 0.00 -1.26 -4.70 105.19 101.74 1j8k n GLY 52 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.42 0.00 -3.63 1.61 1.02 -1.26 -5.06 120.64 108.90 1j8k n GLU 53 Ca -0.20 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.55 1j8k n GLU 53 Cb 0.63 -0.26 -0.11 0.00 -0.02 0.00 0.00 31.44 31.68 1j8k n GLU 53 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j8k s GLU 54 N -1.00 3.32 -0.07 3.49 2.02 -1.26 -4.92 118.70 120.27 1j8k s GLU 54 Ca 0.00 -0.74 0.11 0.00 0.02 0.00 0.00 54.97 54.35 1j8k s GLU 54 Cb 0.00 -3.63 0.23 0.00 0.10 0.00 0.00 34.13 30.83 1j8k s GLU 54 CO 0.00 -0.45 1.16 -0.40 0.02 0.00 0.00 175.26 175.59 1j8k n ASP 55 N 5.01 2.57 -4.19 -0.19 5.75 -1.26 -4.87 116.55 119.36 1j8k n ASP 55 Ca -0.13 -2.51 -0.12 0.00 -0.01 0.00 0.00 54.79 52.02 1j8k n ASP 55 Cb 0.49 -0.26 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 1j8k n ASP 55 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1j8k s THR 56 N -1.90 0.74 0.13 2.12 -4.23 -1.26 -1.81 115.64 109.43 1j8k s THR 56 Ca 0.21 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.84 1j8k s THR 56 Cb 0.16 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 1j8k s THR 56 CO 0.05 -0.77 -0.20 0.00 -0.54 0.00 0.00 174.62 173.16 1j8k s ALA 57 N -3.60 1.86 -0.78 3.99 0.00 -0.12 -4.98 121.76 118.14 1j8k s ALA 57 Ca 0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1j8k s ALA 57 Cb 0.05 -0.21 0.20 0.00 0.00 0.00 0.00 23.12 23.15 1j8k s ALA 57 CO -0.02 0.30 0.65 -1.21 0.00 0.00 0.00 175.76 175.48 1j8k s GLU 58 N -2.27 3.06 -1.39 0.00 2.02 -1.26 -2.64 118.70 116.22 1j8k s GLU 58 Ca 0.10 -2.85 -0.15 0.00 0.02 0.00 0.00 54.97 52.10 1j8k s GLU 58 Cb -0.08 -3.96 0.06 0.00 0.10 0.00 0.00 34.13 30.25 1j8k s GLU 58 CO 0.05 -1.23 2.03 1.28 0.02 0.00 0.00 175.26 177.42 1j8k n LEU 59 N 3.07 6.22 -4.59 1.80 4.77 -0.86 -4.92 117.00 122.49 1j8k n LEU 59 Ca 0.15 -4.12 -0.38 0.00 -0.03 0.00 0.00 56.01 51.62 1j8k n LEU 59 Cb 0.39 -1.67 -0.10 0.00 -2.33 0.00 0.00 43.42 39.70 1j8k n LEU 59 CO 0.35 0.83 -0.10 -1.10 -1.33 0.00 0.00 177.39 176.03 1j8k s GLN 60 N 3.27 3.93 0.00 3.23 -1.52 -1.26 -0.75 119.66 126.56 1j8k s GLN 60 Ca 0.48 -0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.64 1j8k s GLN 60 Cb 0.10 -3.67 0.00 0.00 -0.22 0.00 0.00 33.01 29.22 1j8k s GLN 60 CO -0.03 -0.23 0.00 0.41 -0.25 0.00 0.00 175.29 175.19 1j8k n GLY 61 N 4.97 0.75 0.00 3.09 0.00 -1.04 -4.94 105.19 108.02 1j8k n GLY 61 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.94 0.99 4.77 -1.26 -4.99 117.00 111.57 1j8k n LEU 62 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1j8k n LEU 62 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1j8k n LEU 62 CO 0.00 0.00 0.09 -0.13 -1.33 0.00 0.00 177.39 176.02 1j8k s ARG 63 N 0.22 3.50 -0.54 3.23 1.81 -1.26 -4.82 118.95 121.08 1j8k s ARG 63 Ca 0.00 -0.39 -0.26 0.00 -1.72 0.00 0.00 55.73 53.36 1j8k s ARG 63 Cb 0.00 -2.76 0.04 0.00 -0.45 0.00 0.00 34.95 31.78 1j8k s ARG 63 CO 0.00 0.28 1.01 -1.25 -0.68 0.00 0.00 175.30 174.66 1j8k s PRO 64 N -3.91 3.42 0.00 3.54 0.04 -1.26 -4.39 135.00 132.44 1j8k s PRO 64 Ca 0.39 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1j8k s PRO 64 Cb -0.10 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1j8k s PRO 64 CO 0.32 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1j8k n GLY 65 N 5.06 -0.44 3.63 0.56 0.00 -1.12 -4.99 105.19 107.89 1j8k n GLY 65 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.30 -0.88 -0.89 1.61 1.04 -1.25 -4.95 113.70 107.08 1j8k s SER 66 Ca 0.00 1.35 -0.25 0.00 0.48 0.00 0.00 55.95 57.54 1j8k s SER 66 Cb 0.00 1.51 -0.07 0.00 0.10 0.00 0.00 66.02 67.56 1j8k s SER 66 CO 0.00 -0.21 2.05 -0.70 0.98 0.00 0.00 173.24 175.37 1j8k s GLU 67 N 1.82 2.32 0.15 4.02 2.12 -1.26 -2.55 118.70 125.32 1j8k s GLU 67 Ca -0.09 -0.14 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 1j8k s GLU 67 Cb -0.06 -5.00 -0.08 0.00 0.26 0.00 0.00 34.13 29.25 1j8k s GLU 67 CO -0.19 -3.67 1.26 -0.47 -0.54 0.00 0.00 175.26 171.65 1j8k s TYR 68 N 11.29 3.36 -0.36 5.30 6.14 0.16 -4.72 117.35 138.51 1j8k s TYR 68 Ca 0.75 1.27 -0.06 0.00 0.64 0.00 0.00 57.07 59.67 1j8k s TYR 68 Cb -0.08 -3.51 0.06 0.00 0.42 0.00 0.00 41.96 38.85 1j8k s TYR 68 CO 0.02 -1.59 0.14 0.99 0.64 0.00 0.00 175.55 175.75 1j8k s THR 69 N 0.41 3.70 -0.05 4.34 2.01 -1.04 -1.03 115.64 123.98 1j8k s THR 69 Ca 0.57 -1.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1j8k s THR 69 Cb -0.34 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1j8k s THR 69 CO 0.34 -0.31 0.07 -0.69 -0.69 0.00 0.00 174.62 173.34 1j8k s VAL 70 N 1.35 4.77 -0.28 3.82 1.01 -1.06 -1.61 120.40 128.41 1j8k s VAL 70 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1j8k s VAL 70 Cb -0.21 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1j8k s VAL 70 CO 0.01 0.48 -0.02 -0.44 0.00 0.00 0.00 175.10 175.13 1j8k s SER 71 N -1.35 4.70 -0.40 3.32 0.01 0.47 0.78 113.70 121.23 1j8k s SER 71 Ca 0.19 -1.13 -0.23 0.00 1.31 0.00 0.00 55.95 56.09 1j8k s SER 71 Cb -0.12 -1.70 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1j8k s SER 71 CO 0.09 -0.21 0.77 -0.69 0.41 0.00 0.00 173.24 173.60 1j8k s VAL 72 N 1.28 4.71 0.22 3.43 1.01 0.57 -1.82 120.40 129.79 1j8k s VAL 72 Ca -0.03 0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.70 1j8k s VAL 72 Cb -0.19 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1j8k s VAL 72 CO -0.02 -0.55 -0.20 -0.69 0.00 0.00 0.00 175.10 173.64 1j8k s VAL 73 N 3.14 2.21 0.42 2.92 1.01 -0.93 -0.64 120.40 128.53 1j8k s VAL 73 Ca 0.30 -2.16 0.04 0.00 0.00 0.00 0.00 61.98 60.16 1j8k s VAL 73 Cb -0.13 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1j8k s VAL 73 CO 0.19 -0.32 0.04 0.00 0.00 0.00 0.00 175.10 175.02 1j8k s ALA 74 N -2.21 3.20 0.29 5.51 0.00 -1.25 -1.39 121.76 125.91 1j8k s ALA 74 Ca 0.23 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.75 1j8k s ALA 74 Cb -0.06 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1j8k s ALA 74 CO 0.11 -0.18 0.21 -0.51 0.00 0.00 0.00 175.76 175.39 1j8k s LEU 75 N -3.68 1.57 -0.30 0.00 1.43 0.25 -1.61 118.68 116.33 1j8k s LEU 75 Ca 0.25 -1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 51.59 1j8k s LEU 75 Cb 0.06 0.43 0.19 0.00 0.03 0.00 0.00 46.19 46.90 1j8k s LEU 75 CO 0.12 -0.97 1.15 -2.28 0.23 0.00 0.00 176.35 174.61 1j8k s HIS 76 N -3.67 -0.02 0.00 0.29 2.46 -1.20 -3.98 115.29 109.17 1j8k s HIS 76 Ca 0.39 0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.92 1j8k s HIS 76 Cb 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 32.58 32.49 1j8k s HIS 76 CO 0.21 -0.01 0.00 -0.25 -2.47 0.00 0.00 174.74 172.22 1j8k n ASP 77 N 3.48 0.00 -3.21 9.88 8.00 -1.26 -3.00 116.55 130.44 1j8k n ASP 77 Ca 0.04 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.31 1j8k n ASP 77 Cb 0.65 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 1j8k n ASP 77 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1j8k n ASP 78 N 0.81 1.26 -3.45 -2.24 8.00 -1.26 -5.09 116.55 114.57 1j8k n ASP 78 Ca 0.00 -2.96 -0.11 0.00 0.71 0.00 0.00 54.79 52.43 1j8k n ASP 78 Cb 0.00 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.44 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1j8k s MET 79 N -1.83 1.10 -0.34 -1.24 -1.94 -1.16 -5.13 119.30 108.76 1j8k s MET 79 Ca 0.38 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 1j8k s MET 79 Cb 0.21 0.51 0.14 0.00 2.01 0.00 0.00 34.83 37.70 1j8k s MET 79 CO -0.09 -0.48 0.24 -1.83 -0.01 0.00 0.00 175.02 172.86 1j8k s GLU 80 N -3.44 0.50 0.24 2.03 -1.05 -1.26 -3.22 118.70 112.51 1j8k s GLU 80 Ca 0.02 -1.03 -0.23 0.00 -0.15 0.00 0.00 54.97 53.58 1j8k s GLU 80 Cb -0.01 -1.10 -0.15 0.00 -0.44 0.00 0.00 34.13 32.43 1j8k s GLU 80 CO -0.11 -1.17 0.34 -1.13 0.95 0.00 0.00 175.26 174.14 1j8k n SER 81 N 4.34 -1.64 -3.96 0.83 3.41 -0.64 -4.65 113.62 111.31 1j8k n SER 81 Ca 0.08 0.92 -0.44 0.00 -0.26 0.00 0.00 58.87 59.18 1j8k n SER 81 Cb 0.40 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 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 1.01 0.00 -2.05 4.33 1.13 -1.26 -3.86 117.38 116.68 1j8k n GLN 82 Ca 0.14 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.89 1j8k n GLN 82 Cb 0.27 -0.92 -0.06 0.00 0.11 0.00 0.00 30.24 29.65 1j8k n GLN 82 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1j8k n PRO 83 N 0.92 1.76 -1.68 -1.09 -0.04 -1.26 -4.55 135.00 129.05 1j8k n PRO 83 Ca 0.16 -2.51 -0.49 0.00 -0.04 0.00 0.00 63.50 60.63 1j8k n PRO 83 Cb 0.22 -3.65 -0.05 0.00 -0.04 0.00 0.00 33.50 29.98 1j8k n PRO 83 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1j8k n LEU 84 N 13.30 3.40 -4.87 1.53 7.94 0.19 -4.57 117.00 133.92 1j8k n LEU 84 Ca 0.46 0.98 -0.31 0.00 -1.11 0.00 0.00 56.01 56.03 1j8k n LEU 84 Cb 0.46 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1j8k n LEU 84 CO 0.71 -0.07 0.53 -0.63 -1.11 0.00 0.00 177.39 176.82 1j8k s ILE 85 N 3.98 4.72 -0.48 1.96 -1.09 -1.26 0.21 121.20 129.24 1j8k s ILE 85 Ca 0.93 0.77 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1j8k s ILE 85 Cb -0.71 -3.75 0.20 0.00 -1.58 0.00 0.00 42.46 36.62 1j8k s ILE 85 CO 0.52 -0.64 0.67 0.61 -1.23 0.00 0.00 174.94 174.87 1j8k n GLY 86 N -1.56 0.37 3.84 6.18 0.00 0.23 -4.85 105.19 109.42 1j8k n GLY 86 Ca 0.04 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 0.50 4.42 -0.26 2.61 2.01 -1.26 -2.55 115.64 121.11 1j8k s THR 87 Ca 0.31 0.92 -0.26 0.00 0.31 0.00 0.00 61.69 62.98 1j8k s THR 87 Cb 0.07 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 69.02 1j8k s THR 87 CO -0.13 -0.90 1.01 -1.58 -0.69 0.00 0.00 174.62 172.34 1j8k s GLN 88 N -4.73 0.54 -0.56 4.92 2.00 -0.19 -4.95 119.66 116.68 1j8k s GLN 88 Ca 0.58 0.56 -0.24 0.00 -2.00 0.00 0.00 55.36 54.26 1j8k s GLN 88 Cb -0.12 0.26 0.04 0.00 0.80 0.00 0.00 33.01 33.99 1j8k s GLN 88 CO 0.46 -0.08 0.96 0.45 -0.50 0.00 0.00 175.29 176.58 1j8k s SER 89 N 0.06 6.33 0.07 6.67 0.15 -1.26 -0.67 113.70 125.05 1j8k s SER 89 Ca 0.02 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 1j8k s SER 89 Cb -0.04 -2.44 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1j8k s SER 89 CO -0.05 -1.26 1.92 0.42 1.20 0.00 0.00 173.24 175.47 1j8k s THR 90 N 4.01 2.85 0.00 6.45 -4.23 -1.06 -4.89 115.64 118.78 1j8k s THR 90 Ca 0.30 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1j8k s THR 90 Cb -0.13 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1j8k s THR 90 CO 0.19 -0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.27 1j8k n ALA 91 N 6.89 0.00 -2.19 3.99 0.00 -1.26 -3.04 120.51 124.90 1j8k n ALA 91 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 1j8k n ALA 91 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.32 0.41 -1.14 0.00 -5.25 -1.26 -2.80 121.20 110.84 1j8k s ILE 92 Ca 0.00 -1.94 -0.21 0.00 -0.99 0.00 0.00 60.65 57.51 1j8k s ILE 92 Cb 0.00 -2.02 0.04 0.00 2.95 0.00 0.00 42.46 43.43 1j8k s ILE 92 CO 0.00 -0.53 1.64 -2.16 -1.79 0.00 0.00 174.94 172.10 1j8k s PRO 93 N -3.97 3.61 0.00 0.37 0.04 -1.26 -4.83 135.00 128.96 1j8k s PRO 93 Ca 0.22 -1.43 0.25 0.00 0.04 0.00 0.00 61.00 60.08 1j8k s PRO 93 Cb 0.07 -5.41 0.43 0.00 0.04 0.00 0.00 34.50 29.63 1j8k s PRO 93 CO 0.02 -2.44 1.40 0.00 0.04 0.00 0.00 177.00 176.02