#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc4 s GLU 4 N 0.00 0.76 0.17 1.20 2.12 -1.26 -5.14 118.70 116.55 1jc4 s GLU 4 Ca 0.00 0.45 -0.31 0.00 0.36 0.00 0.00 54.97 55.47 1jc4 s GLU 4 Cb 0.00 0.36 -0.09 0.00 0.26 0.00 0.00 34.13 34.66 1jc4 s GLU 4 CO 0.00 -0.16 1.44 -0.51 -0.54 0.00 0.00 175.26 175.49 1jc4 s ASP 5 N -0.42 6.73 0.17 -1.70 1.01 -1.26 -4.91 116.67 116.28 1jc4 s ASP 5 Ca -0.06 2.50 0.20 0.00 0.71 0.00 0.00 52.55 55.90 1jc4 s ASP 5 Cb -0.03 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1jc4 s ASP 5 CO 0.04 -0.70 1.02 -0.07 0.21 0.00 0.00 175.17 175.67 1jc4 h LEU 6 N 6.18 0.00 -8.56 1.23 3.38 -2.01 -3.47 115.31 112.07 1jc4 h LEU 6 Ca -0.44 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.84 1jc4 h LEU 6 Cb 1.21 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.66 1jc4 h LEU 6 CO 0.85 0.27 -0.88 -0.36 0.09 0.00 0.00 178.44 178.41 1jc4 s PHE 7 N -3.15 2.43 -0.08 1.13 0.08 -1.26 -4.60 117.98 112.54 1jc4 s PHE 7 Ca -0.01 -0.60 -0.25 0.00 0.12 0.00 0.00 56.93 56.19 1jc4 s PHE 7 Cb 0.09 -1.58 -0.25 0.00 -0.57 0.00 0.00 43.02 40.71 1jc4 s PHE 7 CO 0.79 -0.14 0.94 0.82 -0.10 0.00 0.00 175.22 177.54 1jc4 h ILE 8 N 4.84 1.61 -1.60 0.64 2.04 -1.52 -3.50 117.51 120.03 1jc4 h ILE 8 Ca -0.36 -2.11 0.35 0.00 1.00 0.00 0.00 64.86 63.74 1jc4 h ILE 8 Cb 1.16 2.99 -0.11 0.00 -0.74 0.00 0.00 36.82 40.12 1jc4 h ILE 8 CO 0.47 0.57 0.89 0.00 0.00 0.00 0.00 178.15 180.08 1jc4 s ILE 10 N -2.21 4.31 0.01 0.00 1.01 -1.26 -0.20 121.20 122.85 1jc4 s ILE 10 Ca 0.20 1.54 -0.22 0.00 0.00 0.00 0.00 60.65 62.17 1jc4 s ILE 10 Cb 0.04 -4.14 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 1jc4 s ILE 10 CO -0.03 -0.30 1.26 -0.78 0.00 0.00 0.00 174.94 175.09 1jc4 h ASP 11 N 8.48 0.30 -4.78 3.58 3.58 -0.38 -3.37 116.42 123.83 1jc4 h ASP 11 Ca -0.25 -0.55 0.04 0.00 0.42 0.00 0.00 57.03 56.69 1jc4 h ASP 11 Cb 1.09 -0.09 -0.15 0.00 1.72 0.00 0.00 39.33 41.91 1jc4 h ASP 11 CO 1.00 0.80 0.36 -1.38 -2.88 0.00 0.00 179.24 177.13 1jc4 s HIS 12 N -4.01 -0.46 -0.19 0.28 -3.43 -1.05 -1.73 115.29 104.72 1jc4 s HIS 12 Ca -0.15 0.38 -0.03 0.00 -0.80 0.00 0.00 55.06 54.47 1jc4 s HIS 12 Cb 0.04 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.70 1jc4 s HIS 12 CO 0.74 -0.66 -0.07 0.08 -2.00 0.00 0.00 174.74 172.84 1jc4 s VAL 13 N -3.03 3.35 -0.01 -5.38 1.01 -0.49 -0.31 120.40 115.54 1jc4 s VAL 13 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1jc4 s VAL 13 Cb -0.01 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1jc4 s VAL 13 CO -0.08 0.46 0.54 0.00 0.00 0.00 0.00 175.10 176.03 1jc4 s ALA 14 N 1.00 3.53 -0.09 5.51 0.00 0.14 -1.10 121.76 130.75 1jc4 s ALA 14 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1jc4 s ALA 14 Cb -0.15 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.33 1jc4 s ALA 14 CO -0.00 0.22 -0.15 -0.47 0.00 0.00 0.00 175.76 175.36 1jc4 s TYR 15 N -0.34 1.86 -0.12 0.00 5.04 0.11 0.17 117.35 124.08 1jc4 s TYR 15 Ca 0.29 -0.81 -0.10 0.00 -2.44 0.00 0.00 57.07 54.00 1jc4 s TYR 15 Cb -0.18 -1.34 -0.05 0.00 0.35 0.00 0.00 41.96 40.75 1jc4 s TYR 15 CO 0.16 -0.41 0.22 0.00 -1.34 0.00 0.00 175.55 174.18 1jc4 s ALA 16 N 0.84 3.76 0.26 3.97 0.00 -0.82 -4.14 121.76 125.63 1jc4 s ALA 16 Ca -0.10 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1jc4 s ALA 16 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1jc4 s ALA 16 CO 0.01 0.42 0.55 0.00 0.00 0.00 0.00 175.76 176.75 1jc4 h PRO 18 N 2.17 0.59 -2.99 0.00 0.11 -1.97 -3.35 132.00 126.55 1jc4 h PRO 18 Ca -0.24 -0.23 -0.37 0.00 0.11 0.00 0.00 66.00 65.27 1jc4 h PRO 18 Cb 1.25 -0.03 -0.38 0.00 0.11 0.00 0.00 31.00 31.95 1jc4 h PRO 18 CO 0.32 0.79 -0.69 0.34 -0.21 0.00 0.00 178.00 178.55 1jc4 s ASP 19 N -6.79 1.47 0.06 -2.05 -1.08 -1.26 -4.46 116.67 102.57 1jc4 s ASP 19 Ca -0.08 -0.14 -0.22 0.00 -0.52 0.00 0.00 52.55 51.59 1jc4 s ASP 19 Cb 0.13 0.06 -0.13 0.00 -1.46 0.00 0.00 42.92 41.52 1jc4 s ASP 19 CO 0.81 -0.30 1.57 0.00 0.52 0.00 0.00 175.17 177.77 1jc4 h ALA 20 N 8.38 0.12 -0.78 3.66 0.00 -1.89 -1.84 119.26 126.92 1jc4 h ALA 20 Ca -0.14 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jc4 h ALA 20 Cb 1.14 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1jc4 h ALA 20 CO 0.22 -0.26 0.52 -0.44 0.00 0.00 0.00 179.25 179.29 1jc4 h ASP 21 N -0.03 0.90 -0.51 0.00 3.32 -1.96 0.33 116.42 118.46 1jc4 h ASP 21 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1jc4 h ASP 21 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1jc4 h ASP 21 CO -0.00 0.65 0.29 -0.08 -1.72 0.00 0.00 179.24 178.38 1jc4 h GLU 22 N 1.06 0.71 -0.49 3.56 4.81 -1.95 -0.48 114.58 121.80 1jc4 h GLU 22 Ca 0.29 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1jc4 h GLU 22 Cb -0.12 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1jc4 h GLU 22 CO -0.06 0.55 -0.19 0.00 -0.73 0.00 0.00 179.01 178.58 1jc4 h ALA 23 N 1.13 0.68 -0.21 2.92 0.00 -0.36 -2.38 119.26 121.04 1jc4 h ALA 23 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1jc4 h ALA 23 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1jc4 h ALA 23 CO -0.03 0.65 0.06 1.03 0.00 0.00 0.00 179.25 180.96 1jc4 h SER 24 N 0.85 0.31 -0.56 0.00 0.87 -0.09 -0.26 113.55 114.67 1jc4 h SER 24 Ca 0.12 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1jc4 h SER 24 Cb 0.76 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1jc4 h SER 24 CO 0.06 0.44 0.21 0.07 -0.53 0.00 0.00 176.83 177.09 1jc4 h LYS 25 N 0.16 0.89 -0.38 2.24 2.10 -1.10 -0.62 116.57 119.86 1jc4 h LYS 25 Ca 0.07 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 1jc4 h LYS 25 Cb 0.25 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 1jc4 h LYS 25 CO -0.00 0.75 0.14 -0.92 -2.00 0.00 0.00 179.45 177.42 1jc4 h TYR 26 N 0.87 0.59 -0.61 0.07 3.20 -1.14 -0.11 116.97 119.84 1jc4 h TYR 26 Ca 0.20 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1jc4 h TYR 26 Cb 0.22 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1jc4 h TYR 26 CO 0.01 0.55 0.23 1.88 -1.64 0.00 0.00 178.16 179.19 1jc4 h TYR 27 N 0.46 0.91 0.28 -3.82 -1.99 -0.68 -1.26 116.97 110.88 1jc4 h TYR 27 Ca 0.12 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1jc4 h TYR 27 Cb 0.22 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1jc4 h TYR 27 CO 0.00 0.71 -0.14 1.96 -0.00 0.00 0.00 178.16 180.70 1jc4 h GLN 28 N 0.88 -0.37 -0.02 4.88 4.20 -0.74 -1.78 115.11 122.16 1jc4 h GLN 28 Ca 0.21 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1jc4 h GLN 28 Cb 0.20 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1jc4 h GLN 28 CO -0.02 -0.03 0.00 0.93 -0.67 0.00 0.00 178.83 179.05 1jc4 h GLU 29 N -0.90 0.03 0.15 1.46 5.08 -1.04 -2.28 114.58 117.09 1jc4 h GLU 29 Ca -0.04 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 1jc4 h GLU 29 Cb 0.51 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1jc4 h GLU 29 CO 0.06 0.28 -1.24 1.15 -1.00 0.00 0.00 179.01 178.26 1jc4 h THR 30 N -0.22 1.22 0.00 1.13 2.02 -1.39 -3.39 112.91 112.28 1jc4 h THR 30 Ca 0.01 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1jc4 h THR 30 Cb 0.26 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1jc4 h THR 30 CO 0.00 0.73 -0.96 0.49 0.37 0.00 0.00 175.52 176.16 1jc4 n PHE 31 N -3.94 0.03 -1.56 3.16 3.72 -0.83 -4.98 117.46 113.05 1jc4 n PHE 31 Ca -0.20 0.01 -0.07 0.00 -0.05 0.00 0.00 57.45 57.14 1jc4 n PHE 31 Cb 0.91 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 39.31 1jc4 n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jc4 n GLY 32 N 1.47 0.60 3.95 1.37 0.00 -0.74 -4.98 105.19 106.87 1jc4 n GLY 32 Ca 0.04 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 1jc4 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jc4 s TRP 33 N -2.30 2.80 0.04 1.61 0.52 -0.80 -4.80 118.94 116.00 1jc4 s TRP 33 Ca 0.00 0.23 0.08 0.00 0.02 0.00 0.00 56.10 56.43 1jc4 s TRP 33 Cb 0.00 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 1jc4 s TRP 33 CO 0.00 -1.24 -0.23 -1.01 0.02 0.00 0.00 176.95 174.49 1jc4 s HIS 34 N -3.07 2.04 -0.24 -1.98 3.76 0.15 -4.10 115.29 111.86 1jc4 s HIS 34 Ca 0.60 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.90 1jc4 s HIS 34 Cb -0.10 -1.23 -0.02 0.00 1.11 0.00 0.00 32.58 32.34 1jc4 s HIS 34 CO 0.42 0.09 0.69 -2.00 -0.85 0.00 0.00 174.74 173.09 1jc4 s GLU 35 N -1.13 4.14 0.00 1.40 2.12 -1.26 -0.65 118.70 123.32 1jc4 s GLU 35 Ca 0.09 0.67 0.16 0.00 0.36 0.00 0.00 54.97 56.25 1jc4 s GLU 35 Cb -0.09 -3.64 0.03 0.00 0.26 0.00 0.00 34.13 30.69 1jc4 s GLU 35 CO 0.02 -0.42 0.89 1.28 -0.54 0.00 0.00 175.26 176.49 1jc4 n LEU 36 N 5.70 1.79 0.00 2.70 4.32 -1.26 -4.98 117.00 125.27 1jc4 n LEU 36 Ca 0.01 -0.82 0.00 0.00 -0.02 0.00 0.00 56.01 55.18 1jc4 n LEU 36 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1jc4 n LEU 36 CO 0.44 0.34 0.00 1.57 -1.22 0.00 0.00 177.39 178.52 1jc4 n HIS 37 N 0.12 0.00 -3.99 -1.77 -0.00 -1.26 -5.14 115.22 103.18 1jc4 n HIS 37 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.63 1jc4 n HIS 37 Cb 0.35 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.19 1jc4 n HIS 37 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1jc4 s ARG 38 N -0.89 0.31 -0.24 1.57 3.52 -1.26 -4.28 118.95 117.68 1jc4 s ARG 38 Ca 0.00 -0.01 -0.21 0.00 -0.13 0.00 0.00 55.73 55.38 1jc4 s ARG 38 Cb 0.00 -0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.05 1jc4 s ARG 38 CO 0.00 -0.05 0.63 -2.00 -0.81 0.00 0.00 175.30 173.07 1jc4 s GLU 39 N 0.56 0.72 -0.15 5.12 2.12 -0.80 -5.03 118.70 121.24 1jc4 s GLU 39 Ca -0.06 0.92 -0.08 0.00 0.36 0.00 0.00 54.97 56.11 1jc4 s GLU 39 Cb -0.09 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 1jc4 s GLU 39 CO -0.01 -0.10 0.14 -1.21 -0.54 0.00 0.00 175.26 173.54 1jc4 s GLU 40 N 0.53 3.73 -0.80 4.30 2.02 -1.26 -1.71 118.70 125.50 1jc4 s GLU 40 Ca -0.02 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 54.83 1jc4 s GLU 40 Cb -0.05 -3.28 0.24 0.00 0.10 0.00 0.00 34.13 31.14 1jc4 s GLU 40 CO -0.02 0.60 0.84 -1.71 0.02 0.00 0.00 175.26 174.98 1jc4 n ASN 41 N 2.57 4.22 -0.35 -0.19 2.85 0.53 -4.95 115.26 119.93 1jc4 n ASN 41 Ca -0.18 -3.31 0.06 0.00 -0.11 0.00 0.00 54.58 51.04 1jc4 n ASN 41 Cb 0.54 -0.90 0.13 0.00 1.24 0.00 0.00 39.78 40.79 1jc4 n ASN 41 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1jc4 n PRO 42 N 1.56 -0.09 -0.16 1.20 -0.02 -1.26 -0.10 135.00 136.12 1jc4 n PRO 42 Ca 0.25 1.53 -0.05 0.00 -2.02 0.00 0.00 63.50 63.21 1jc4 n PRO 42 Cb 0.37 -2.28 0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1jc4 n PRO 42 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jc4 h GLU 43 N 0.00 0.50 0.00 -0.52 4.81 -1.95 -1.80 114.58 115.62 1jc4 h GLU 43 Ca 0.47 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 1jc4 h GLU 43 Cb 0.71 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1jc4 h GLU 43 CO -1.01 0.33 -0.57 1.96 -0.73 0.00 0.00 179.01 178.99 1jc4 h GLN 44 N 0.51 0.00 -0.53 1.92 1.08 -1.33 -3.48 115.11 113.28 1jc4 h GLN 44 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1jc4 h GLN 44 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1jc4 h GLN 44 CO -0.13 0.57 0.00 0.41 -0.95 0.00 0.00 178.83 178.73 1jc4 n GLY 45 N 0.47 0.91 3.20 3.46 0.00 0.86 -4.32 105.19 109.78 1jc4 n GLY 45 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1jc4 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jc4 s VAL 46 N -2.53 0.11 -0.11 1.61 -7.23 -1.17 0.04 120.40 111.12 1jc4 s VAL 46 Ca 0.00 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1jc4 s VAL 46 Cb 0.00 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 1jc4 s VAL 46 CO 0.00 -0.51 -0.16 0.54 -0.31 0.00 0.00 175.10 174.66 1jc4 s VAL 47 N -2.96 2.85 -0.03 1.32 0.11 -0.15 -0.35 120.40 121.19 1jc4 s VAL 47 Ca -0.02 -0.75 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 1jc4 s VAL 47 Cb 0.01 -2.16 -0.01 0.00 -1.53 0.00 0.00 36.38 32.68 1jc4 s VAL 47 CO -0.06 0.54 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.46 1jc4 s GLU 48 N 0.18 1.72 0.00 1.54 2.02 -0.70 -1.02 118.70 122.44 1jc4 s GLU 48 Ca -0.09 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1jc4 s GLU 48 Cb -0.15 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.51 1jc4 s GLU 48 CO 0.05 0.33 0.00 -0.89 0.02 0.00 0.00 175.26 174.77 1jc4 n ILE 49 N 2.89 0.00 -3.53 -1.63 5.41 -0.39 -1.91 119.36 120.19 1jc4 n ILE 49 Ca -0.17 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.44 1jc4 n ILE 49 Cb 0.53 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.41 1jc4 n ILE 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jc4 s ALA 52 N -2.00 -1.82 -0.53 -1.39 0.00 0.18 -0.71 121.76 115.48 1jc4 s ALA 52 Ca 0.00 1.33 0.22 0.00 0.00 0.00 0.00 51.96 53.50 1jc4 s ALA 52 Cb 0.00 -0.15 0.93 0.00 0.00 0.00 0.00 23.12 23.90 1jc4 s ALA 52 CO 0.00 -0.40 1.66 -0.35 0.00 0.00 0.00 175.76 176.66 1jc4 n PRO 53 N 0.66 0.16 -4.16 0.00 -0.04 -1.26 0.33 135.00 130.69 1jc4 n PRO 53 Ca -0.15 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1jc4 n PRO 53 Cb 0.58 -1.82 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 1jc4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jc4 s ALA 54 N -3.29 0.91 0.10 0.55 0.00 -1.26 -4.71 121.76 114.06 1jc4 s ALA 54 Ca 0.04 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 1jc4 s ALA 54 Cb 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1jc4 s ALA 54 CO 0.35 -0.31 1.56 0.00 0.00 0.00 0.00 175.76 177.35 1jc4 h ALA 55 N 2.96 0.43 -3.26 0.00 0.00 -1.94 -3.43 119.26 114.01 1jc4 h ALA 55 Ca -0.35 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 53.72 1jc4 h ALA 55 Cb 1.17 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1jc4 h ALA 55 CO 0.64 0.16 -0.56 0.15 0.00 0.00 0.00 179.25 179.65 1jc4 s LYS 56 N -5.05 3.94 0.18 0.00 1.02 -1.26 -5.01 119.74 113.56 1jc4 s LYS 56 Ca -0.13 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 1jc4 s LYS 56 Cb 0.09 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.10 1jc4 s LYS 56 CO 0.76 0.31 1.15 -0.51 -0.92 0.00 0.00 175.35 176.15 1jc4 s LEU 57 N 0.27 4.47 0.54 3.17 1.43 -1.26 -5.05 118.68 122.24 1jc4 s LEU 57 Ca 0.04 2.17 -0.02 0.00 -1.03 0.00 0.00 54.13 55.29 1jc4 s LEU 57 Cb -0.12 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1jc4 s LEU 57 CO 0.00 -0.30 0.79 0.42 0.23 0.00 0.00 176.35 177.49 1jc4 s THR 58 N -0.15 3.39 0.28 5.49 -4.23 -1.26 -4.99 115.64 114.16 1jc4 s THR 58 Ca 0.51 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 1jc4 s THR 58 Cb -0.31 -3.30 0.26 0.00 1.34 0.00 0.00 72.50 70.49 1jc4 s THR 58 CO 0.36 -0.25 1.73 -0.08 -0.54 0.00 0.00 174.62 175.84 1jc4 h GLU 59 N 0.07 0.50 -4.98 3.99 4.22 -2.06 -3.47 114.58 112.85 1jc4 h GLU 59 Ca -0.45 -0.03 -0.66 0.00 0.08 0.00 0.00 59.36 58.30 1jc4 h GLU 59 Cb 1.27 -0.11 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 1jc4 h GLU 59 CO 0.57 0.33 -0.75 -1.01 -2.18 0.00 0.00 179.01 175.97 1jc4 s HIS 60 N -5.93 2.95 -0.10 0.92 3.76 -1.26 -5.04 115.29 110.59 1jc4 s HIS 60 Ca -0.12 -1.22 -0.11 0.00 -0.15 0.00 0.00 55.06 53.46 1jc4 s HIS 60 Cb 0.23 -2.06 0.03 0.00 1.11 0.00 0.00 32.58 31.89 1jc4 s HIS 60 CO 0.78 -0.64 0.30 0.99 -0.85 0.00 0.00 174.74 175.32 1jc4 s THR 62 N 1.41 0.01 0.35 1.30 2.01 -1.26 -4.87 115.64 114.59 1jc4 s THR 62 Ca 0.04 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.05 1jc4 s THR 62 Cb -0.15 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1jc4 s THR 62 CO -0.05 -0.04 0.11 -1.10 -0.69 0.00 0.00 174.62 172.85 1jc4 s GLN 63 N -0.05 2.27 -0.19 4.92 -0.21 -0.70 -4.74 119.66 120.95 1jc4 s GLN 63 Ca -0.02 -1.65 -0.04 0.00 0.02 0.00 0.00 55.36 53.67 1jc4 s GLN 63 Cb -0.03 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 1jc4 s GLN 63 CO 0.01 0.08 -0.02 0.08 -2.12 0.00 0.00 175.29 173.32 1jc4 s VAL 64 N -2.48 3.76 -0.30 1.09 1.01 -1.26 -1.39 120.40 120.83 1jc4 s VAL 64 Ca 0.37 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1jc4 s VAL 64 Cb -0.01 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1jc4 s VAL 64 CO 0.22 0.45 0.18 -1.58 0.00 0.00 0.00 175.10 174.36 1jc4 s GLN 65 N 0.93 3.63 0.63 2.72 0.74 -0.26 -4.75 119.66 123.30 1jc4 s GLN 65 Ca 0.00 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 54.91 1jc4 s GLN 65 Cb -0.14 -3.63 0.09 0.00 1.10 0.00 0.00 33.01 30.42 1jc4 s GLN 65 CO 0.01 -0.31 0.87 0.08 -0.55 0.00 0.00 175.29 175.39 1jc4 s VAL 66 N 1.69 2.33 0.00 1.34 1.01 0.11 0.09 120.40 126.97 1jc4 s VAL 66 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1jc4 s VAL 66 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1jc4 s VAL 66 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.19 1jc4 n ALA 68 N -2.53 0.00 -1.76 5.51 0.00 -0.19 -1.27 120.51 120.27 1jc4 n ALA 68 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 1jc4 n ALA 68 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 1jc4 n ALA 68 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jc4 s PRO 69 N -1.25 3.71 -0.09 0.00 0.04 -1.26 -0.98 135.00 135.18 1jc4 s PRO 69 Ca 0.00 2.14 0.19 0.00 0.04 0.00 0.00 61.00 63.37 1jc4 s PRO 69 Cb 0.00 -2.57 -0.28 0.00 0.04 0.00 0.00 34.50 31.69 1jc4 s PRO 69 CO 0.00 -0.70 0.30 -0.11 0.04 0.00 0.00 177.00 176.53 1jc4 n LEU 70 N -0.28 0.00 0.00 -3.56 7.94 0.11 -4.73 117.00 116.47 1jc4 n LEU 70 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1jc4 n LEU 70 Cb 0.44 0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1jc4 n LEU 70 CO 0.54 0.17 0.00 -0.46 -1.11 0.00 0.00 177.39 176.53 1jc4 n ASN 71 N -2.38 0.28 -0.00 1.96 0.23 -1.25 -4.99 115.26 109.11 1jc4 n ASN 71 Ca -0.14 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 53.97 1jc4 n ASN 71 Cb 0.74 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.36 1jc4 n ASN 71 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jc4 n ASP 72 N 0.00 2.40 -0.09 0.53 8.00 -1.26 -4.55 116.55 121.58 1jc4 n ASP 72 Ca 0.00 -0.06 0.12 0.00 0.71 0.00 0.00 54.79 55.56 1jc4 n ASP 72 Cb 0.00 1.44 0.23 0.00 -0.02 0.00 0.00 41.12 42.77 1jc4 n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jc4 n GLU 73 N -1.82 0.28 -1.36 -1.24 -0.58 -1.26 -4.55 120.64 110.12 1jc4 n GLU 73 Ca -0.02 -0.18 -0.35 0.00 -0.42 0.00 0.00 57.16 56.19 1jc4 n GLU 73 Cb 0.27 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.74 1jc4 n GLU 73 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1jc4 n SER 74 N -1.20 1.04 -0.23 1.62 3.41 -1.26 -4.83 113.62 112.17 1jc4 n SER 74 Ca 0.07 0.68 -0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1jc4 n SER 74 Cb 0.34 -1.48 0.07 0.00 -0.26 0.00 0.00 64.21 62.89 1jc4 n SER 74 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1jc4 h THR 75 N -0.29 1.26 -0.40 6.66 2.02 -1.88 -2.26 112.91 118.01 1jc4 h THR 75 Ca -0.48 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1jc4 h THR 75 Cb 1.32 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1jc4 h THR 75 CO 0.48 0.37 0.20 0.58 0.37 0.00 0.00 175.52 177.52 1jc4 h VAL 76 N 1.02 0.97 -0.49 3.16 2.07 -1.90 0.20 116.25 121.28 1jc4 h VAL 76 Ca 0.21 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1jc4 h VAL 76 Cb 0.38 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jc4 h VAL 76 CO 0.01 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.96 1jc4 h ALA 77 N 1.21 0.62 -0.35 1.67 0.00 -1.83 0.26 119.26 120.84 1jc4 h ALA 77 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jc4 h ALA 77 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jc4 h ALA 77 CO -0.12 -0.00 -0.02 0.87 0.00 0.00 0.00 179.25 179.98 1jc4 h LYS 78 N 0.59 0.56 -0.09 0.00 1.57 -0.81 -0.75 116.57 117.64 1jc4 h LYS 78 Ca 0.19 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1jc4 h LYS 78 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1jc4 h LYS 78 CO -0.08 0.60 0.00 2.35 -0.57 0.00 0.00 179.45 181.75 1jc4 h TRP 79 N 0.53 0.16 -0.80 -1.35 7.01 0.22 -1.64 115.95 120.09 1jc4 h TRP 79 Ca 0.11 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1jc4 h TRP 79 Cb 0.37 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.34 1jc4 h TRP 79 CO 0.01 0.40 0.52 -0.07 -2.79 0.00 0.00 178.44 176.51 1jc4 h LEU 80 N -0.12 0.87 -0.63 0.65 3.38 -0.71 -2.10 115.31 116.66 1jc4 h LEU 80 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jc4 h LEU 80 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1jc4 h LEU 80 CO 0.00 0.61 0.40 0.00 0.09 0.00 0.00 178.44 179.55 1jc4 h ALA 81 N 1.32 0.80 0.00 1.53 0.00 -0.99 0.10 119.26 122.02 1jc4 h ALA 81 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jc4 h ALA 81 Cb -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1jc4 h ALA 81 CO -0.09 0.25 0.00 -0.22 0.00 0.00 0.00 179.25 179.18 1jc4 h LYS 82 N 0.85 0.00 -0.32 0.00 3.64 -0.65 -0.83 116.57 119.26 1jc4 h LYS 82 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1jc4 h LYS 82 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1jc4 h LYS 82 CO -0.05 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.85 1jc4 n HIS 83 N -2.99 0.72 -3.57 1.91 8.25 -0.44 -4.99 115.22 114.10 1jc4 n HIS 83 Ca -0.02 -0.67 -0.21 0.00 -0.26 0.00 0.00 57.72 56.56 1jc4 n HIS 83 Cb 0.14 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.14 1jc4 n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jc4 n ASN 84 N 0.10 -3.16 0.00 0.41 3.02 -0.32 -2.00 115.26 113.30 1jc4 n ASN 84 Ca 0.16 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1jc4 n ASN 84 Cb 0.65 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1jc4 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jc4 n GLY 85 N -1.46 0.34 3.55 7.41 0.00 0.21 -4.92 105.19 110.32 1jc4 n GLY 85 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1jc4 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jc4 s ARG 86 N -0.70 2.87 0.42 1.61 3.52 -0.85 -4.96 118.95 120.87 1jc4 s ARG 86 Ca 0.00 0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.40 1jc4 s ARG 86 Cb 0.00 -4.52 -0.09 0.00 -1.56 0.00 0.00 34.95 28.78 1jc4 s ARG 86 CO 0.00 -2.61 1.40 0.00 -0.81 0.00 0.00 175.30 173.28 1jc4 s ALA 87 N 7.87 3.32 0.05 6.12 0.00 -1.26 -4.90 121.76 132.96 1jc4 s ALA 87 Ca 0.56 1.42 -0.23 0.00 0.00 0.00 0.00 51.96 53.71 1jc4 s ALA 87 Cb -0.09 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.54 1jc4 s ALA 87 CO 0.13 -1.05 1.06 0.41 0.00 0.00 0.00 175.76 176.31 1jc4 n GLY 88 N 0.59 0.42 3.68 0.00 0.00 -1.08 -5.00 105.19 103.81 1jc4 n GLY 88 Ca 0.04 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1jc4 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jc4 s LEU 89 N 0.00 4.42 -0.24 0.99 1.43 -1.26 -1.94 118.68 122.07 1jc4 s LEU 89 Ca 0.24 2.75 -0.16 0.00 -1.03 0.00 0.00 54.13 55.94 1jc4 s LEU 89 Cb -0.01 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 1jc4 s LEU 89 CO 0.02 -1.03 -0.26 1.57 0.23 0.00 0.00 176.35 176.87 1jc4 n HIS 90 N 6.36 0.20 0.00 0.29 -0.00 0.13 -4.91 115.22 117.29 1jc4 n HIS 90 Ca 0.19 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 1jc4 n HIS 90 Cb 0.39 -0.92 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 1jc4 n HIS 90 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1jc4 n HIS 91 N -4.33 0.00 -3.64 1.57 1.44 -1.13 -4.65 115.22 104.47 1jc4 n HIS 91 Ca -0.42 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.23 1jc4 n HIS 91 Cb 0.76 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.80 1jc4 n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1jc4 s ALA 93 N -1.00 -2.00 -0.20 1.59 0.00 0.58 0.26 121.76 120.99 1jc4 s ALA 93 Ca 0.00 2.29 -0.05 0.00 0.00 0.00 0.00 51.96 54.20 1jc4 s ALA 93 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1jc4 s ALA 93 CO 0.00 -0.36 0.01 -1.58 0.00 0.00 0.00 175.76 173.83 1jc4 s TRP 94 N 1.34 3.05 0.22 0.00 0.51 0.09 0.38 118.94 124.54 1jc4 s TRP 94 Ca -0.08 -0.41 -0.30 0.00 -2.12 0.00 0.00 56.10 53.19 1jc4 s TRP 94 Cb -0.05 -2.08 -0.08 0.00 -0.81 0.00 0.00 33.47 30.45 1jc4 s TRP 94 CO -0.16 -0.21 1.09 0.50 -0.51 0.00 0.00 176.95 177.67 1jc4 s ARG 95 N 0.95 4.63 0.10 4.98 3.52 0.71 -2.13 118.95 131.72 1jc4 s ARG 95 Ca 0.02 1.74 0.06 0.00 -0.13 0.00 0.00 55.73 57.41 1jc4 s ARG 95 Cb -0.14 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1jc4 s ARG 95 CO 0.02 0.16 -0.15 0.14 -0.81 0.00 0.00 175.30 174.66 1jc4 s VAL 96 N -0.65 1.30 -0.03 7.11 -7.23 -0.16 -1.24 120.40 119.50 1jc4 s VAL 96 Ca 0.47 -1.56 -0.21 0.00 -1.81 0.00 0.00 61.98 58.87 1jc4 s VAL 96 Cb -0.30 -1.38 -0.30 0.00 0.56 0.00 0.00 36.38 34.96 1jc4 s VAL 96 CO 0.37 -0.31 0.95 -0.78 -0.31 0.00 0.00 175.10 175.03 1jc4 h ASP 97 N 3.84 0.52 -3.17 4.85 3.58 -1.87 -3.40 116.42 120.78 1jc4 h ASP 97 Ca -0.41 -0.91 -0.59 0.00 0.42 0.00 0.00 57.03 55.55 1jc4 h ASP 97 Cb 1.19 -0.17 -0.40 0.00 1.72 0.00 0.00 39.33 41.67 1jc4 h ASP 97 CO 0.46 1.39 -0.76 -0.62 -2.88 0.00 0.00 179.24 176.83 1jc4 s ASP 98 N -6.98 4.02 0.30 2.28 -1.08 -1.26 -4.86 116.67 109.08 1jc4 s ASP 98 Ca -0.13 -1.71 -0.02 0.00 -0.52 0.00 0.00 52.55 50.17 1jc4 s ASP 98 Cb 0.02 -0.88 0.43 0.00 -1.46 0.00 0.00 42.92 41.03 1jc4 s ASP 98 CO 0.84 -0.41 1.96 -0.29 0.52 0.00 0.00 175.17 177.80 1jc4 h ILE 99 N 6.41 1.22 -0.14 4.11 2.10 -1.94 -1.55 117.51 127.72 1jc4 h ILE 99 Ca -0.13 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.41 1jc4 h ILE 99 Cb 1.01 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.75 1jc4 h ILE 99 CO 0.47 0.21 0.09 0.44 -1.08 0.00 0.00 178.15 178.28 1jc4 h ASP 100 N 1.12 0.16 -0.21 2.19 3.32 -1.99 0.12 116.42 121.12 1jc4 h ASP 100 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1jc4 h ASP 100 Cb -0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1jc4 h ASP 100 CO -0.06 0.12 0.11 0.00 -1.72 0.00 0.00 179.24 177.69 1jc4 h ALA 101 N 1.04 0.28 -0.66 3.45 0.00 -1.90 -1.99 119.26 119.49 1jc4 h ALA 101 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jc4 h ALA 101 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1jc4 h ALA 101 CO -0.01 -0.18 0.17 0.28 0.00 0.00 0.00 179.25 179.51 1jc4 h VAL 102 N 0.23 1.25 -0.57 0.00 2.07 -1.14 -1.87 116.25 116.22 1jc4 h VAL 102 Ca 0.07 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1jc4 h VAL 102 Cb 0.09 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1jc4 h VAL 102 CO -0.01 0.34 0.11 0.28 0.02 0.00 0.00 177.57 178.31 1jc4 h SER 103 N 0.98 0.84 -0.41 0.57 0.02 -0.63 -0.92 113.55 114.00 1jc4 h SER 103 Ca 0.21 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1jc4 h SER 103 Cb 0.32 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1jc4 h SER 103 CO -0.00 0.84 0.21 0.00 -1.14 0.00 0.00 176.83 176.74 1jc4 h ALA 104 N 1.27 0.53 -0.51 3.77 0.00 -0.89 -0.51 119.26 122.92 1jc4 h ALA 104 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1jc4 h ALA 104 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jc4 h ALA 104 CO 0.00 0.07 0.02 1.15 0.00 0.00 0.00 179.25 180.49 1jc4 h THR 105 N 0.53 1.26 -0.38 0.00 2.02 -0.96 -0.78 112.91 114.60 1jc4 h THR 105 Ca 0.14 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1jc4 h THR 105 Cb 0.09 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1jc4 h THR 105 CO -0.02 0.37 0.18 -0.07 0.37 0.00 0.00 175.52 176.36 1jc4 h LEU 106 N 0.75 0.50 -0.83 2.58 3.38 -0.99 -1.25 115.31 119.44 1jc4 h LEU 106 Ca 0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1jc4 h LEU 106 Cb 0.50 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jc4 h LEU 106 CO 0.02 0.48 0.31 0.03 0.09 0.00 0.00 178.44 179.37 1jc4 h ARG 107 N 0.48 1.17 0.00 1.13 3.08 -0.95 0.83 114.38 120.12 1jc4 h ARG 107 Ca 0.13 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1jc4 h ARG 107 Cb 0.12 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1jc4 h ARG 107 CO -0.02 0.95 -0.06 0.93 -1.07 0.00 0.00 179.97 180.70 1jc4 h GLU 108 N 1.14 0.00 -0.61 0.04 5.08 -0.79 -0.21 114.58 119.22 1jc4 h GLU 108 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1jc4 h GLU 108 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jc4 h GLU 108 CO -0.02 0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 1jc4 n ARG 109 N -3.27 2.97 -0.80 2.33 1.74 -0.41 -4.91 116.66 114.31 1jc4 n ARG 109 Ca -0.01 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 1jc4 n ARG 109 Cb 0.26 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1jc4 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jc4 n GLY 110 N 0.88 0.69 3.77 -0.13 0.00 -0.09 -5.03 105.19 105.28 1jc4 n GLY 110 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1jc4 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc4 s VAL 111 N -2.50 4.24 -0.17 1.61 1.01 0.15 -4.97 120.40 119.77 1jc4 s VAL 111 Ca 0.00 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 1jc4 s VAL 111 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1jc4 s VAL 111 CO 0.00 0.42 0.04 -1.10 0.00 0.00 0.00 175.10 174.46 1jc4 s GLN 112 N -1.40 3.86 0.17 2.72 -0.21 -1.26 -3.95 119.66 119.59 1jc4 s GLN 112 Ca 0.41 -0.38 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1jc4 s GLN 112 Cb -0.23 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 1jc4 s GLN 112 CO 0.28 0.30 0.19 -0.51 -2.12 0.00 0.00 175.29 173.43 1jc4 s LEU 113 N 0.28 3.99 -0.05 2.90 1.43 -1.26 -0.31 118.68 125.65 1jc4 s LEU 113 Ca 0.02 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 1jc4 s LEU 113 Cb -0.13 -2.58 -0.21 0.00 0.03 0.00 0.00 46.19 43.31 1jc4 s LEU 113 CO 0.01 0.05 1.14 0.25 0.23 0.00 0.00 176.35 178.03 1jc4 h LEU 114 N 2.21 -0.01 -9.78 1.79 7.12 -0.55 -3.45 115.31 112.63 1jc4 h LEU 114 Ca -0.48 -0.58 -0.62 0.00 0.13 0.00 0.00 57.88 56.32 1jc4 h LEU 114 Cb 1.20 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.29 1jc4 h LEU 114 CO 0.64 0.58 -0.37 -0.31 -0.13 0.00 0.00 178.44 178.86 1jc4 s TYR 115 N -3.79 3.58 0.21 1.25 2.02 -1.26 -4.99 117.35 114.36 1jc4 s TYR 115 Ca -0.16 0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 57.09 1jc4 s TYR 115 Cb 0.01 -2.01 0.17 0.00 -0.40 0.00 0.00 41.96 39.73 1jc4 s TYR 115 CO 0.67 0.60 1.61 -0.44 -1.57 0.00 0.00 175.55 176.41 1jc4 h ASP 116 N 3.95 0.77 -4.31 2.29 3.32 -2.00 -3.44 116.42 117.00 1jc4 h ASP 116 Ca -0.50 -0.30 -0.49 0.00 0.02 0.00 0.00 57.03 55.76 1jc4 h ASP 116 Cb 1.20 -0.21 -0.23 0.00 0.22 0.00 0.00 39.33 40.30 1jc4 h ASP 116 CO 0.66 1.00 -0.81 -1.61 -1.72 0.00 0.00 179.24 176.77 1jc4 s GLU 117 N -4.51 1.04 0.34 3.56 0.41 -1.26 -5.12 118.70 113.16 1jc4 s GLU 117 Ca -0.09 -0.96 -0.27 0.00 -0.41 0.00 0.00 54.97 53.24 1jc4 s GLU 117 Cb 0.13 -1.14 -0.13 0.00 -1.78 0.00 0.00 34.13 31.21 1jc4 s GLU 117 CO 0.84 0.27 1.14 -2.30 -0.49 0.00 0.00 175.26 174.73 1jc4 n PRO 118 N 1.50 1.72 -3.79 0.39 -0.02 -1.26 -4.98 135.00 128.56 1jc4 n PRO 118 Ca -0.19 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.68 1jc4 n PRO 118 Cb 0.54 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1jc4 n PRO 118 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jc4 s LYS 119 N -1.79 2.69 -0.18 -0.52 2.20 0.72 -4.80 119.74 118.05 1jc4 s LYS 119 Ca 0.58 -1.33 -0.20 0.00 -0.36 0.00 0.00 55.97 54.66 1jc4 s LYS 119 Cb -0.61 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1jc4 s LYS 119 CO 0.60 0.06 0.58 -0.51 -0.36 0.00 0.00 175.35 175.72 1jc4 s LEU 120 N -4.01 4.17 0.40 5.43 1.43 -1.26 0.81 118.68 125.65 1jc4 s LEU 120 Ca 0.42 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1jc4 s LEU 120 Cb -0.05 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1jc4 s LEU 120 CO 0.27 -0.20 0.60 -0.83 0.23 0.00 0.00 176.35 176.41 1jc4 s GLY 121 N 1.09 1.50 0.07 -3.19 0.00 0.16 -4.90 107.32 102.04 1jc4 s GLY 121 Ca 0.27 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1jc4 s GLY 121 CO 0.11 -0.96 1.85 -1.08 0.00 0.00 0.00 173.10 173.01 1jc4 s THR 122 N -2.42 2.86 0.00 0.90 -1.32 -1.26 -1.40 115.64 113.00 1jc4 s THR 122 Ca 0.45 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1jc4 s THR 122 Cb -0.10 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.80 1jc4 s THR 122 CO 0.36 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 1jc4 n GLY 123 N 4.31 1.79 0.33 6.08 0.00 -1.26 -4.67 105.19 111.77 1jc4 n GLY 123 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jc4 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jc4 n GLY 124 N -0.07 0.54 3.86 -0.02 0.00 -0.49 -5.03 105.19 103.97 1jc4 n GLY 124 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jc4 n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jc4 s ASN 125 N -2.94 6.47 -0.08 1.61 0.02 -1.25 -4.55 114.94 114.22 1jc4 s ASN 125 Ca 0.00 1.48 -0.16 0.00 -1.02 0.00 0.00 52.86 53.16 1jc4 s ASN 125 Cb 0.00 -2.48 -0.05 0.00 0.02 0.00 0.00 41.25 38.74 1jc4 s ASN 125 CO 0.00 -0.68 0.43 -0.13 0.02 0.00 0.00 177.10 176.74 1jc4 s ARG 126 N -4.48 4.18 0.12 -0.60 0.52 -0.57 0.37 118.95 118.49 1jc4 s ARG 126 Ca 0.57 0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 56.17 1jc4 s ARG 126 Cb -0.10 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1jc4 s ARG 126 CO 0.40 0.37 0.05 0.96 0.02 0.00 0.00 175.30 177.09 1jc4 s ILE 127 N -0.04 0.12 0.27 1.52 -4.36 0.24 -1.09 121.20 117.85 1jc4 s ILE 127 Ca 0.24 -1.90 -0.21 0.00 -0.26 0.00 0.00 60.65 58.53 1jc4 s ILE 127 Cb -0.16 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.60 1jc4 s ILE 127 CO 0.11 -0.53 0.70 0.21 0.24 0.00 0.00 174.94 175.66 1jc4 s ASN 128 N -3.03 -0.28 0.00 4.36 3.84 -0.91 -0.20 114.94 118.71 1jc4 s ASN 128 Ca 0.22 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1jc4 s ASN 128 Cb 0.08 0.71 0.00 0.00 -0.55 0.00 0.00 41.25 41.49 1jc4 s ASN 128 CO 0.00 -1.31 0.00 0.49 -2.79 0.00 0.00 177.10 173.49 1jc4 n PHE 129 N -0.45 0.00 -4.06 0.43 3.01 -1.26 -0.07 117.46 115.06 1jc4 n PHE 129 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.10 1jc4 n PHE 129 Cb 0.60 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.00 1jc4 n PHE 129 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1jc4 s HIS 131 N 1.96 3.20 0.23 1.38 3.76 0.58 0.30 115.29 126.70 1jc4 s HIS 131 Ca 0.00 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.90 1jc4 s HIS 131 Cb 0.00 -1.64 0.34 0.00 1.11 0.00 0.00 32.58 32.39 1jc4 s HIS 131 CO 0.00 0.52 1.63 -1.35 -0.85 0.00 0.00 174.74 174.69 1jc4 h PRO 132 N 3.43 0.06 -0.08 8.40 0.11 -1.91 0.25 132.00 142.26 1jc4 h PRO 132 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1jc4 h PRO 132 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1jc4 h PRO 132 CO 0.65 0.04 -0.03 0.87 -0.21 0.00 0.00 178.00 179.32 1jc4 h LYS 133 N 0.06 0.11 0.00 1.05 1.57 -1.96 -0.07 116.57 117.32 1jc4 h LYS 133 Ca 0.36 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1jc4 h LYS 133 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1jc4 h LYS 133 CO -0.66 0.15 -0.18 0.77 -0.57 0.00 0.00 179.45 178.96 1jc4 h SER 134 N 0.11 0.00 -0.03 0.86 0.02 -0.88 -2.80 113.55 110.83 1jc4 h SER 134 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1jc4 h SER 134 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1jc4 h SER 134 CO 0.01 0.18 -0.05 0.61 -1.14 0.00 0.00 176.83 176.43 1jc4 n GLY 135 N 0.40 0.83 3.12 -3.77 0.00 -0.18 -4.94 105.19 100.64 1jc4 n GLY 135 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1jc4 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jc4 n LYS 136 N 1.12 -4.06 0.00 1.61 4.76 -0.37 -3.39 118.16 117.84 1jc4 n LYS 136 Ca 0.14 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 1jc4 n LYS 136 Cb 0.57 -5.44 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 1jc4 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jc4 n GLY 137 N -1.18 1.88 3.47 0.72 0.00 -0.95 -5.04 105.19 104.08 1jc4 n GLY 137 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1jc4 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc4 s VAL 138 N -2.33 2.88 -0.32 1.61 0.11 -1.22 -5.06 120.40 116.06 1jc4 s VAL 138 Ca 0.00 -1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 57.69 1jc4 s VAL 138 Cb 0.00 -2.20 0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1jc4 s VAL 138 CO 0.00 0.37 0.90 -0.22 -3.33 0.00 0.00 175.10 172.82 1jc4 s LEU 139 N -1.36 4.03 -0.19 2.54 0.20 -1.26 -4.26 118.68 118.38 1jc4 s LEU 139 Ca 0.15 0.78 -0.01 0.00 0.69 0.00 0.00 54.13 55.74 1jc4 s LEU 139 Cb -0.11 -3.26 0.01 0.00 -0.43 0.00 0.00 46.19 42.40 1jc4 s LEU 139 CO 0.05 -0.73 -0.14 -0.63 -0.29 0.00 0.00 176.35 174.61 1jc4 s ILE 140 N 3.25 2.65 0.05 6.68 1.01 -1.26 -4.66 121.20 128.91 1jc4 s ILE 140 Ca 0.37 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 1jc4 s ILE 140 Cb -0.13 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1jc4 s ILE 140 CO 0.14 0.49 0.26 -0.70 0.00 0.00 0.00 174.94 175.14 1jc4 s GLU 141 N 1.23 3.53 -0.09 2.79 2.12 -1.26 -4.47 118.70 122.55 1jc4 s GLU 141 Ca 0.03 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.14 1jc4 s GLU 141 Cb -0.14 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 1jc4 s GLU 141 CO -0.07 0.60 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.75 1jc4 s LEU 142 N -2.15 3.54 -0.07 2.70 1.43 0.90 -0.73 118.68 124.30 1jc4 s LEU 142 Ca 0.32 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1jc4 s LEU 142 Cb -0.13 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1jc4 s LEU 142 CO 0.21 0.36 0.18 0.28 0.23 0.00 0.00 176.35 177.60 1jc4 s THR 143 N -0.75 -0.02 -0.05 5.49 -1.32 -0.90 -2.14 115.64 115.94 1jc4 s THR 143 Ca 0.12 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.67 1jc4 s THR 143 Cb -0.12 -0.26 0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1jc4 s THR 143 CO 0.02 0.02 -0.10 -1.58 -2.21 0.00 0.00 174.62 170.77 1jc4 s GLN 144 N 0.47 1.38 0.52 7.08 0.74 -0.25 -0.98 119.66 128.62 1jc4 s GLN 144 Ca -0.03 -0.33 -0.17 0.00 0.05 0.00 0.00 55.36 54.88 1jc4 s GLN 144 Cb -0.04 -1.20 -0.07 0.00 1.10 0.00 0.00 33.01 32.79 1jc4 s GLN 144 CO -0.02 0.02 1.00 0.71 -0.55 0.00 0.00 175.29 176.45 1jc4 s TYR 145 N 0.63 3.38 0.33 1.67 1.51 -1.26 -1.50 117.35 122.10 1jc4 s TYR 145 Ca -0.12 1.48 -0.27 0.00 -1.01 0.00 0.00 57.07 57.15 1jc4 s TYR 145 Cb -0.14 -2.83 -0.13 0.00 -0.11 0.00 0.00 41.96 38.75 1jc4 s TYR 145 CO 0.02 -0.47 1.03 -2.30 -1.11 0.00 0.00 175.55 172.72 1jc4 n PRO 146 N -1.61 1.43 -0.87 -1.71 -0.02 -1.26 -4.91 135.00 126.04 1jc4 n PRO 146 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1jc4 n PRO 146 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1jc4 n PRO 146 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11