#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb4 n PRO 5 N 0.00 1.62 -0.29 1.64 -0.02 -1.26 -4.71 135.00 131.99 1jb4 n PRO 5 Ca 0.00 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 1jb4 n PRO 5 Cb 0.00 -2.29 0.33 0.00 -0.02 0.00 0.00 33.50 31.52 1jb4 n PRO 5 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1jb4 h ILE 6 N 1.67 0.88 -0.43 4.25 -0.00 -2.03 -0.76 117.51 121.10 1jb4 h ILE 6 Ca -0.47 -0.27 -0.10 0.00 -0.00 0.00 0.00 64.86 64.01 1jb4 h ILE 6 Cb 1.32 0.01 -0.02 0.00 -0.00 0.00 0.00 36.82 38.13 1jb4 h ILE 6 CO 0.58 0.15 -0.15 4.11 -0.00 0.00 0.00 178.15 182.83 1jb4 h TRP 7 N 0.80 0.89 -0.15 2.19 0.09 -1.95 -1.42 115.95 116.39 1jb4 h TRP 7 Ca 0.45 -0.18 -0.03 0.00 0.09 0.00 0.00 58.89 59.22 1jb4 h TRP 7 Cb 0.60 -0.22 -0.00 0.00 0.08 0.00 0.00 29.16 29.62 1jb4 h TRP 7 CO -0.00 0.89 -0.03 1.49 0.09 0.00 0.00 178.44 180.89 1jb4 h GLU 8 N 0.71 0.28 -0.24 0.12 4.81 -1.59 0.16 114.58 118.83 1jb4 h GLU 8 Ca 0.11 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1jb4 h GLU 8 Cb 0.65 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1jb4 h GLU 8 CO 0.05 0.55 0.03 1.96 -0.73 0.00 0.00 179.01 180.86 1jb4 h GLN 9 N -0.02 0.11 -0.02 1.92 4.20 -1.01 0.25 115.11 120.55 1jb4 h GLN 9 Ca 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jb4 h GLN 9 Cb 0.44 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1jb4 h GLN 9 CO 0.01 0.07 0.00 0.82 -0.67 0.00 0.00 178.83 179.07 1jb4 h ILE 10 N 0.11 1.18 -0.10 2.54 2.04 -1.26 -1.98 117.51 120.05 1jb4 h ILE 10 Ca 0.11 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1jb4 h ILE 10 Cb 0.12 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1jb4 h ILE 10 CO -0.16 0.14 0.02 1.23 0.00 0.00 0.00 178.15 179.38 1jb4 h GLY 11 N -0.20 0.10 0.83 5.37 0.00 -0.46 0.25 103.07 108.97 1jb4 h GLY 11 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1jb4 h GLY 11 CO 0.00 -0.00 0.64 1.76 0.00 0.00 0.00 176.54 178.93 1jb4 h SER 12 N 0.06 1.05 -0.19 0.19 0.02 -0.53 0.08 113.55 114.23 1jb4 h SER 12 Ca 0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1jb4 h SER 12 Cb 0.04 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1jb4 h SER 12 CO -0.06 0.70 0.05 -1.28 -1.14 0.00 0.00 176.83 175.10 1jb4 h SER 13 N 1.20 0.28 -0.25 3.07 0.87 -0.87 -1.42 113.55 116.43 1jb4 h SER 13 Ca 0.40 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1jb4 h SER 13 Cb 0.06 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1jb4 h SER 13 CO -0.14 0.42 0.13 0.15 -0.53 0.00 0.00 176.83 176.85 1jb4 h PHE 14 N 0.12 0.23 -0.56 2.24 3.57 -0.42 -1.32 116.94 120.80 1jb4 h PHE 14 Ca 0.06 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1jb4 h PHE 14 Cb 0.25 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 1jb4 h PHE 14 CO 0.00 0.13 0.19 0.82 -2.23 0.00 0.00 178.31 177.23 1jb4 h ILE 15 N 0.27 0.79 -0.10 1.41 1.08 -0.88 0.18 117.51 120.25 1jb4 h ILE 15 Ca 0.10 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1jb4 h ILE 15 Cb 0.02 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 1jb4 h ILE 15 CO -0.06 0.07 0.05 0.78 -0.69 0.00 0.00 178.15 178.29 1jb4 h ASN 16 N 0.37 0.08 -0.34 1.72 2.35 -0.73 -1.93 115.58 117.10 1jb4 h ASN 16 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1jb4 h ASN 16 Cb 0.33 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1jb4 h ASN 16 CO -0.29 0.06 0.22 -0.74 -1.65 0.00 0.00 177.43 175.04 1jb4 h HIS 17 N 0.11 0.44 -0.10 1.19 2.76 -0.61 -1.63 115.15 117.31 1jb4 h HIS 17 Ca 0.04 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1jb4 h HIS 17 Cb -0.00 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 1jb4 h HIS 17 CO -0.08 0.30 -0.16 -0.92 -1.30 0.00 0.00 177.93 175.76 1jb4 h TYR 18 N 0.46 -0.42 0.00 5.26 3.20 -0.45 -0.86 116.97 124.16 1jb4 h TYR 18 Ca 0.12 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1jb4 h TYR 18 Cb -0.03 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1jb4 h TYR 18 CO -0.05 -0.23 -0.38 1.88 -1.64 0.00 0.00 178.16 177.74 1jb4 h TYR 19 N -0.22 0.00 -0.23 -3.82 0.99 -1.30 -1.00 116.97 111.41 1jb4 h TYR 19 Ca 0.09 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1jb4 h TYR 19 Cb 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.06 1jb4 h TYR 19 CO -0.26 0.38 0.03 0.37 -0.00 0.00 0.00 178.16 178.67 1jb4 h GLN 20 N 0.00 0.38 -0.40 4.88 4.15 -0.70 -1.11 115.11 122.31 1jb4 h GLN 20 Ca -0.00 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 1jb4 h GLN 20 Cb 0.78 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1jb4 h GLN 20 CO 0.05 0.53 0.06 -0.07 -1.93 0.00 0.00 178.83 177.48 1jb4 h LEU 21 N 0.17 0.64 -1.03 -2.39 4.07 -0.94 -2.78 115.31 113.05 1jb4 h LEU 21 Ca 0.07 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1jb4 h LEU 21 Cb 0.34 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.86 1jb4 h LEU 21 CO 0.01 0.74 0.64 0.15 -1.08 0.00 0.00 178.44 178.89 1jb4 h PHE 22 N 0.52 1.23 -0.03 1.13 3.57 -1.10 -1.56 116.94 120.70 1jb4 h PHE 22 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1jb4 h PHE 22 Cb 0.37 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1jb4 h PHE 22 CO 0.03 0.78 0.00 -0.25 -2.23 0.00 0.00 178.31 176.64 1jb4 n ASP 23 N -4.38 1.04 0.01 0.41 10.43 -0.43 -3.98 116.55 119.66 1jb4 n ASP 23 Ca 0.11 -1.40 0.00 0.00 2.57 0.00 0.00 54.79 56.07 1jb4 n ASP 23 Cb 0.02 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1jb4 n ASP 23 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1jb4 n ASN 24 N -0.17 0.12 -3.09 -2.24 3.02 -1.06 -4.64 115.26 107.19 1jb4 n ASN 24 Ca 0.19 0.04 -0.15 0.00 -0.03 0.00 0.00 54.58 54.63 1jb4 n ASN 24 Cb 0.27 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1jb4 n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jb4 s ASP 25 N -5.11 -0.01 0.00 6.41 3.68 -0.63 -5.01 116.67 116.00 1jb4 s ASP 25 Ca 0.00 -2.26 0.00 0.00 2.13 0.00 0.00 52.55 52.42 1jb4 s ASP 25 Cb 0.00 0.80 0.00 0.00 -1.45 0.00 0.00 42.92 42.27 1jb4 s ASP 25 CO 0.00 -0.12 0.86 -2.11 0.13 0.00 0.00 175.17 173.93 1jb4 n ARG 26 N 3.06 0.00 0.00 4.34 1.85 -0.95 -0.76 116.66 124.21 1jb4 n ARG 26 Ca 0.22 0.37 0.12 0.00 -1.00 0.00 0.00 57.85 57.56 1jb4 n ARG 26 Cb 0.52 -1.53 0.56 0.00 -1.05 0.00 0.00 32.46 30.96 1jb4 n ARG 26 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1jb4 n THR 27 N -1.36 0.27 1.31 8.89 -2.24 -1.26 -2.65 114.28 117.24 1jb4 n THR 27 Ca 0.00 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1jb4 n THR 27 Cb 0.03 -0.65 0.41 0.00 -2.10 0.00 0.00 70.33 68.02 1jb4 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb4 n GLN 28 N -1.42 1.13 0.04 -0.78 6.02 0.06 -4.19 117.38 118.25 1jb4 n GLN 28 Ca 0.08 -0.68 0.06 0.00 -0.01 0.00 0.00 57.00 56.45 1jb4 n GLN 28 Cb 0.26 -1.49 0.28 0.00 1.02 0.00 0.00 30.24 30.31 1jb4 n GLN 28 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jb4 n LEU 29 N -0.34 0.19 0.27 1.08 4.77 -1.08 -2.73 117.00 119.16 1jb4 n LEU 29 Ca 0.14 0.56 0.16 0.00 -0.03 0.00 0.00 56.01 56.84 1jb4 n LEU 29 Cb 0.36 -0.56 0.90 0.00 -2.33 0.00 0.00 43.42 41.79 1jb4 n LEU 29 CO 0.23 -0.47 1.13 1.23 -1.33 0.00 0.00 177.39 178.18 1jb4 h GLY 30 N 1.36 0.00 2.00 -0.72 0.00 -1.83 -1.35 103.07 102.53 1jb4 h GLY 30 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1jb4 h GLY 30 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.37 1jb4 h ALA 31 N 1.93 1.10 -0.34 3.60 0.00 -1.87 -3.08 119.26 120.60 1jb4 h ALA 31 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1jb4 h ALA 31 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jb4 h ALA 31 CO -0.00 0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.90 1jb4 n ILE 32 N -3.43 0.48 -4.40 0.00 -6.64 -0.51 -4.95 119.36 99.91 1jb4 n ILE 32 Ca -0.01 -0.74 -0.27 0.00 -1.77 0.00 0.00 62.75 59.96 1jb4 n ILE 32 Cb 0.35 0.99 -0.12 0.00 -1.44 0.00 0.00 39.64 39.42 1jb4 n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1jb4 s TYR 33 N -1.42 2.26 0.51 4.28 1.51 -1.16 -0.53 117.35 122.80 1jb4 s TYR 33 Ca 0.35 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1jb4 s TYR 33 Cb 0.21 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1jb4 s TYR 33 CO 0.29 0.43 0.02 0.96 -1.11 0.00 0.00 175.55 176.14 1jb4 s ILE 34 N -1.47 1.00 0.40 2.71 -4.36 -1.26 -4.81 121.20 113.41 1jb4 s ILE 34 Ca 0.18 -2.00 0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1jb4 s ILE 34 Cb -0.09 -2.09 0.17 0.00 1.25 0.00 0.00 42.46 41.71 1jb4 s ILE 34 CO 0.08 0.00 1.94 0.44 0.24 0.00 0.00 174.94 177.64 1jb4 h ASP 35 N 1.35 0.00 -0.06 4.36 3.45 -1.97 -2.02 116.42 121.52 1jb4 h ASP 35 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 1jb4 h ASP 35 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 1jb4 h ASP 35 CO 0.71 0.24 0.00 0.00 -1.57 0.00 0.00 179.24 178.63 1jb4 n ALA 36 N -2.43 2.58 -1.76 3.45 0.00 -1.26 -3.24 120.51 117.84 1jb4 n ALA 36 Ca -0.02 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.65 1jb4 n ALA 36 Cb 0.31 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1jb4 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jb4 s SER 37 N -1.79 5.98 0.01 0.00 0.01 -0.81 -4.76 113.70 112.35 1jb4 s SER 37 Ca 0.36 2.50 0.08 0.00 1.31 0.00 0.00 55.95 60.21 1jb4 s SER 37 Cb 0.19 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1jb4 s SER 37 CO 0.30 -1.06 -0.25 0.00 0.41 0.00 0.00 173.24 172.63 1jb4 s LEU 39 N -0.91 1.56 -0.19 0.00 0.20 0.06 -1.39 118.68 118.01 1jb4 s LEU 39 Ca 0.10 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.72 1jb4 s LEU 39 Cb -0.10 -0.62 0.04 0.00 -0.43 0.00 0.00 46.19 45.09 1jb4 s LEU 39 CO 0.01 0.01 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.08 1jb4 s THR 40 N 0.65 1.58 -0.22 3.68 2.01 -0.78 -0.84 115.64 121.72 1jb4 s THR 40 Ca -0.11 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1jb4 s THR 40 Cb -0.14 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.78 1jb4 s THR 40 CO 0.02 0.21 -0.09 0.86 -0.69 0.00 0.00 174.62 174.93 1jb4 s TRP 41 N 1.43 2.48 -1.51 4.92 -0.11 -0.11 -0.96 118.94 125.09 1jb4 s TRP 41 Ca -0.00 -1.71 -0.13 0.00 1.22 0.00 0.00 56.10 55.48 1jb4 s TRP 41 Cb -0.16 -1.64 0.08 0.00 -1.50 0.00 0.00 33.47 30.25 1jb4 s TRP 41 CO -0.08 -0.76 0.96 0.39 -4.62 0.00 0.00 176.95 172.84 1jb4 n GLU 42 N 4.66 -5.60 -0.19 5.86 -0.58 -0.58 -1.69 120.64 122.52 1jb4 n GLU 42 Ca -0.14 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1jb4 n GLU 42 Cb 0.45 -5.52 0.00 0.00 -0.57 0.00 0.00 31.44 25.80 1jb4 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jb4 n GLY 43 N -1.69 1.43 3.86 0.62 0.00 -1.26 -5.04 105.19 103.11 1jb4 n GLY 43 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1jb4 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jb4 s GLN 44 N -0.42 3.66 -0.02 1.61 -0.21 -0.68 -5.07 119.66 118.53 1jb4 s GLN 44 Ca 0.00 0.11 -0.03 0.00 0.02 0.00 0.00 55.36 55.47 1jb4 s GLN 44 Cb 0.00 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 1jb4 s GLN 44 CO 0.00 0.73 0.16 -0.65 -2.12 0.00 0.00 175.29 173.40 1jb4 s GLN 45 N -1.14 3.37 -0.16 2.91 -0.21 -1.26 -0.93 119.66 122.25 1jb4 s GLN 45 Ca 0.20 -0.32 -0.10 0.00 0.02 0.00 0.00 55.36 55.16 1jb4 s GLN 45 Cb -0.14 -3.07 0.05 0.00 1.00 0.00 0.00 33.01 30.85 1jb4 s GLN 45 CO 0.09 0.68 0.38 -0.06 -2.12 0.00 0.00 175.29 174.27 1jb4 s PHE 46 N -1.26 -0.53 -0.01 0.91 0.40 -0.02 -5.00 117.98 112.47 1jb4 s PHE 46 Ca 0.25 1.17 0.08 0.00 -0.60 0.00 0.00 56.93 57.83 1jb4 s PHE 46 Cb -0.12 0.21 -0.02 0.00 0.51 0.00 0.00 43.02 43.60 1jb4 s PHE 46 CO 0.16 -0.30 -0.25 -1.14 0.70 0.00 0.00 175.22 174.39 1jb4 s GLN 47 N 1.14 2.01 0.00 0.44 0.74 -1.26 -0.76 119.66 121.97 1jb4 s GLN 47 Ca -0.08 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 54.41 1jb4 s GLN 47 Cb -0.07 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.06 1jb4 s GLN 47 CO -0.10 0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 1jb4 n GLY 48 N 2.38 -0.77 0.37 2.59 0.00 0.10 -4.37 105.19 105.48 1jb4 n GLY 48 Ca -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 1jb4 n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jb4 h LYS 49 N 0.00 -0.10 -0.23 1.61 3.64 -1.64 -1.45 116.57 118.40 1jb4 h LYS 49 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1jb4 h LYS 49 Cb 0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1jb4 h LYS 49 CO 0.00 -0.07 0.15 0.00 -2.27 0.00 0.00 179.45 177.26 1jb4 h ALA 50 N 1.09 0.29 -0.57 5.00 0.00 -1.90 0.02 119.26 123.18 1jb4 h ALA 50 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1jb4 h ALA 50 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jb4 h ALA 50 CO -0.80 -0.22 0.02 0.00 0.00 0.00 0.00 179.25 178.24 1jb4 h ALA 51 N 1.07 0.77 0.24 0.00 0.00 -1.67 -0.66 119.26 119.00 1jb4 h ALA 51 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jb4 h ALA 51 Cb -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jb4 h ALA 51 CO -0.02 0.58 -0.12 0.82 0.00 0.00 0.00 179.25 180.51 1jb4 h ILE 52 N 0.88 0.80 -0.26 0.00 2.04 -1.13 0.27 117.51 120.11 1jb4 h ILE 52 Ca 0.16 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1jb4 h ILE 52 Cb 0.52 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1jb4 h ILE 52 CO 0.02 0.05 0.09 0.58 0.00 0.00 0.00 178.15 178.90 1jb4 h VAL 53 N -0.44 1.11 -0.18 1.67 2.07 -0.96 -0.55 116.25 118.96 1jb4 h VAL 53 Ca -0.03 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1jb4 h VAL 53 Cb 0.34 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1jb4 h VAL 53 CO 0.05 0.14 -0.03 -0.08 0.02 0.00 0.00 177.57 177.67 1jb4 h GLU 54 N 0.37 0.35 0.10 1.57 4.81 -0.70 -0.41 114.58 120.67 1jb4 h GLU 54 Ca 0.09 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1jb4 h GLU 54 Cb 0.10 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1jb4 h GLU 54 CO -0.01 0.60 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.58 1jb4 h LYS 55 N 0.07 -0.16 -0.73 1.92 1.63 0.30 -0.68 116.57 118.92 1jb4 h LYS 55 Ca 0.05 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1jb4 h LYS 55 Cb 0.46 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1jb4 h LYS 55 CO 0.02 -0.11 0.25 -0.07 -3.45 0.00 0.00 179.45 176.09 1jb4 h LEU 56 N -0.17 1.04 -1.54 5.20 3.38 -1.14 -2.48 115.31 119.61 1jb4 h LEU 56 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1jb4 h LEU 56 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jb4 h LEU 56 CO 0.01 0.96 -0.24 0.28 0.09 0.00 0.00 178.44 179.53 1jb4 h SER 57 N 1.07 0.00 0.83 -0.43 0.02 -0.89 -2.48 113.55 111.67 1jb4 h SER 57 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1jb4 h SER 57 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1jb4 h SER 57 CO -0.01 0.24 0.00 -1.54 -1.14 0.00 0.00 176.83 174.38 1jb4 n SER 58 N -4.06 0.20 -4.66 3.07 3.41 -0.28 -4.81 113.62 106.49 1jb4 n SER 58 Ca -0.02 0.53 -0.47 0.00 -0.26 0.00 0.00 58.87 58.66 1jb4 n SER 58 Cb 0.31 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1jb4 n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jb4 n LEU 59 N -1.70 3.01 -2.79 1.04 4.77 -0.94 -4.81 117.00 115.59 1jb4 n LEU 59 Ca 0.05 1.08 -0.24 0.00 -0.03 0.00 0.00 56.01 56.87 1jb4 n LEU 59 Cb 0.27 -1.41 -0.07 0.00 -2.33 0.00 0.00 43.42 39.88 1jb4 n LEU 59 CO 0.21 -0.33 2.43 -0.81 -1.33 0.00 0.00 177.39 177.56 1jb4 n PRO 60 N 3.50 2.59 -4.35 3.23 -0.04 -1.26 -4.86 135.00 133.82 1jb4 n PRO 60 Ca 0.17 -1.52 -0.21 0.00 -0.04 0.00 0.00 63.50 61.91 1jb4 n PRO 60 Cb 0.28 -2.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.23 1jb4 n PRO 60 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jb4 s PHE 61 N 2.05 1.39 -0.12 0.54 2.99 -1.26 -5.05 117.98 118.53 1jb4 s PHE 61 Ca 0.59 -0.39 -0.10 0.00 0.00 0.00 0.00 56.93 57.04 1jb4 s PHE 61 Cb 0.20 -0.81 -0.03 0.00 0.00 0.00 0.00 43.02 42.38 1jb4 s PHE 61 CO -0.03 0.07 -0.19 0.94 -0.00 0.00 0.00 175.22 176.01 1jb4 n GLN 62 N 1.65 0.36 -3.76 0.44 -0.06 -1.26 -4.91 117.38 109.84 1jb4 n GLN 62 Ca -0.19 0.33 -0.37 0.00 -2.00 0.00 0.00 57.00 54.78 1jb4 n GLN 62 Cb 0.54 -1.34 -0.12 0.00 -4.06 0.00 0.00 30.24 25.26 1jb4 n GLN 62 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1jb4 s LYS 63 N -2.15 3.74 -0.05 3.69 2.47 -1.26 -5.01 119.74 121.18 1jb4 s LYS 63 Ca -0.16 -0.43 0.05 0.00 -1.56 0.00 0.00 55.97 53.87 1jb4 s LYS 63 Cb 0.02 -3.37 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1jb4 s LYS 63 CO 0.23 -0.13 -0.22 0.42 0.16 0.00 0.00 175.35 175.80 1jb4 s ILE 64 N 1.49 1.85 -0.10 5.43 1.01 -1.26 0.08 121.20 129.70 1jb4 s ILE 64 Ca 0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1jb4 s ILE 64 Cb -0.15 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1jb4 s ILE 64 CO 0.05 0.52 0.06 -1.58 0.00 0.00 0.00 174.94 173.99 1jb4 s GLN 65 N -0.08 0.14 0.02 2.79 2.00 0.43 -4.51 119.66 120.45 1jb4 s GLN 65 Ca -0.04 0.10 -0.13 0.00 -2.00 0.00 0.00 55.36 53.29 1jb4 s GLN 65 Cb -0.13 -1.19 -0.06 0.00 0.80 0.00 0.00 33.01 32.43 1jb4 s GLN 65 CO 0.03 -0.47 0.40 -1.01 -0.50 0.00 0.00 175.29 173.74 1jb4 s HIS 66 N 2.10 3.68 -0.18 1.67 3.76 -1.26 -1.11 115.29 123.94 1jb4 s HIS 66 Ca 0.03 0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 55.83 1jb4 s HIS 66 Cb -0.14 -2.24 0.06 0.00 1.11 0.00 0.00 32.58 31.37 1jb4 s HIS 66 CO -0.06 0.60 0.04 -1.54 -0.85 0.00 0.00 174.74 172.93 1jb4 s SER 67 N -1.30 2.78 -0.17 1.40 1.04 -0.12 -5.01 113.70 112.32 1jb4 s SER 67 Ca 0.27 -0.76 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1jb4 s SER 67 Cb -0.16 -0.56 -0.00 0.00 0.10 0.00 0.00 66.02 65.40 1jb4 s SER 67 CO 0.15 -0.30 1.04 -0.63 0.98 0.00 0.00 173.24 174.48 1jb4 s ILE 68 N 1.88 4.69 -0.07 -1.02 1.01 -1.26 -0.54 121.20 125.90 1jb4 s ILE 68 Ca -0.00 2.00 0.10 0.00 0.00 0.00 0.00 60.65 62.75 1jb4 s ILE 68 Cb -0.17 -4.29 -0.24 0.00 0.01 0.00 0.00 42.46 37.78 1jb4 s ILE 68 CO -0.08 -0.09 0.56 0.35 0.00 0.00 0.00 174.94 175.68 1jb4 n THR 69 N 4.96 1.61 -3.55 2.92 -2.24 -0.15 -4.96 114.28 112.88 1jb4 n THR 69 Ca 0.11 -0.78 -0.17 0.00 -2.27 0.00 0.00 64.05 60.94 1jb4 n THR 69 Cb 0.47 -1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 67.55 1jb4 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb4 s ALA 70 N -2.58 -1.78 -0.07 6.98 0.00 -0.82 -5.02 121.76 118.47 1jb4 s ALA 70 Ca -0.08 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 1jb4 s ALA 70 Cb 0.08 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1jb4 s ALA 70 CO 0.81 -0.36 0.17 1.14 0.00 0.00 0.00 175.76 177.52 1jb4 s GLN 71 N -0.83 0.17 0.05 0.00 -2.07 -1.26 -1.49 119.66 114.22 1jb4 s GLN 71 Ca -0.08 0.30 0.06 0.00 -1.82 0.00 0.00 55.36 53.82 1jb4 s GLN 71 Cb -0.01 -0.01 -0.02 0.00 -1.09 0.00 0.00 33.01 31.87 1jb4 s GLN 71 CO 0.08 -0.08 -0.16 -0.51 -1.32 0.00 0.00 175.29 173.29 1jb4 s ASP 72 N 0.53 1.96 0.01 12.60 1.01 -0.34 -4.98 116.67 127.45 1jb4 s ASP 72 Ca -0.04 -0.52 0.00 0.00 0.71 0.00 0.00 52.55 52.71 1jb4 s ASP 72 Cb -0.05 -0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.74 1jb4 s ASP 72 CO -0.03 0.06 -0.02 -1.00 0.21 0.00 0.00 175.17 174.39 1jb4 s HIS 73 N -0.92 0.21 0.02 4.23 3.76 -1.26 -0.87 115.29 120.46 1jb4 s HIS 73 Ca 0.03 -0.20 -0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1jb4 s HIS 73 Cb -0.09 -0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.45 1jb4 s HIS 73 CO 0.02 -0.06 0.02 -0.65 -0.85 0.00 0.00 174.74 173.22 1jb4 s GLN 74 N -0.54 0.43 0.36 1.40 -0.21 -0.47 -4.74 119.66 115.88 1jb4 s GLN 74 Ca -0.05 -0.69 -0.09 0.00 0.02 0.00 0.00 55.36 54.56 1jb4 s GLN 74 Cb -0.04 0.16 -0.06 0.00 1.00 0.00 0.00 33.01 34.07 1jb4 s GLN 74 CO -0.00 -0.08 0.69 -1.25 -2.12 0.00 0.00 175.29 172.52 1jb4 s PRO 75 N -1.99 3.73 0.29 2.91 0.04 -1.26 -1.17 135.00 137.55 1jb4 s PRO 75 Ca -0.11 0.31 0.10 0.00 0.04 0.00 0.00 61.00 61.34 1jb4 s PRO 75 Cb -0.06 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 1jb4 s PRO 75 CO -0.02 0.06 -0.03 0.95 0.04 0.00 0.00 177.00 177.99 1jb4 s THR 76 N -2.26 3.09 0.55 1.26 -4.23 0.38 -4.85 115.64 109.58 1jb4 s THR 76 Ca 0.49 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.24 1jb4 s THR 76 Cb -0.10 -2.74 0.36 0.00 1.34 0.00 0.00 72.50 71.35 1jb4 s THR 76 CO 0.31 -0.33 2.06 -0.65 -0.54 0.00 0.00 174.62 175.46 1jb4 h PRO 77 N 1.92 0.00 -0.72 3.99 0.11 -1.99 -0.92 132.00 134.40 1jb4 h PRO 77 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jb4 h PRO 77 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jb4 h PRO 77 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 1jb4 n ASP 78 N -4.25 3.74 -1.09 -2.05 8.00 -1.26 -4.88 116.55 114.77 1jb4 n ASP 78 Ca 0.05 -2.51 -0.12 0.00 0.71 0.00 0.00 54.79 52.92 1jb4 n ASP 78 Cb 0.41 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1jb4 n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jb4 n SER 79 N 0.42 -4.19 -4.98 -2.24 7.64 -0.35 -5.01 113.62 104.91 1jb4 n SER 79 Ca 0.17 0.18 -0.21 0.00 1.01 0.00 0.00 58.87 60.02 1jb4 n SER 79 Cb 0.78 -3.00 0.02 0.00 -1.01 0.00 0.00 64.21 61.01 1jb4 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jb4 s ILE 81 N -2.61 1.65 -0.10 0.00 1.09 -0.01 -0.47 121.20 120.75 1jb4 s ILE 81 Ca 0.54 -0.74 -0.03 0.00 -1.10 0.00 0.00 60.65 59.32 1jb4 s ILE 81 Cb -0.10 -1.48 -0.03 0.00 -1.06 0.00 0.00 42.46 39.78 1jb4 s ILE 81 CO 0.37 0.47 0.01 -0.51 -0.10 0.00 0.00 174.94 175.18 1jb4 s ILE 82 N 0.87 4.37 0.10 2.92 2.07 -0.31 0.17 121.20 131.39 1jb4 s ILE 82 Ca -0.08 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 58.99 1jb4 s ILE 82 Cb -0.15 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 39.54 1jb4 s ILE 82 CO -0.00 0.58 -0.13 -0.44 -1.91 0.00 0.00 174.94 173.03 1jb4 s SER 83 N -0.63 1.78 -0.07 4.50 0.01 0.18 -1.37 113.70 118.09 1jb4 s SER 83 Ca 0.10 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.64 1jb4 s SER 83 Cb -0.12 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.08 1jb4 s SER 83 CO 0.02 -0.15 -0.13 -0.32 0.41 0.00 0.00 173.24 173.07 1jb4 s MET 84 N -2.41 1.83 -0.05 12.44 1.75 -0.05 -1.90 119.30 130.91 1jb4 s MET 84 Ca 0.05 -0.46 0.03 0.00 -1.25 0.00 0.00 55.69 54.06 1jb4 s MET 84 Cb -0.06 -1.49 0.01 0.00 2.84 0.00 0.00 34.83 36.13 1jb4 s MET 84 CO 0.02 0.04 -0.11 0.08 -0.65 0.00 0.00 175.02 174.40 1jb4 s VAL 85 N 0.64 1.00 0.03 10.11 1.01 0.46 -1.20 120.40 132.45 1jb4 s VAL 85 Ca -0.15 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1jb4 s VAL 85 Cb -0.16 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1jb4 s VAL 85 CO 0.04 0.31 -0.14 -0.69 0.00 0.00 0.00 175.10 174.63 1jb4 s VAL 86 N 0.44 1.07 -0.83 2.92 1.01 -0.56 -0.57 120.40 123.90 1jb4 s VAL 86 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1jb4 s VAL 86 Cb -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1jb4 s VAL 86 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1jb4 n GLY 87 N 2.03 -0.73 3.56 4.51 0.00 -1.01 -0.97 105.19 112.58 1jb4 n GLY 87 Ca -0.17 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1jb4 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jb4 s GLN 88 N -0.33 2.39 -0.10 1.61 -1.52 0.30 -0.90 119.66 121.12 1jb4 s GLN 88 Ca 0.00 -0.82 0.04 0.00 -1.95 0.00 0.00 55.36 52.63 1jb4 s GLN 88 Cb 0.00 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 1jb4 s GLN 88 CO 0.00 0.57 -0.22 -1.17 -0.25 0.00 0.00 175.29 174.22 1jb4 s LEU 89 N -1.55 2.02 -0.20 2.90 2.96 0.20 -0.94 118.68 124.07 1jb4 s LEU 89 Ca 0.17 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1jb4 s LEU 89 Cb -0.11 -1.32 0.04 0.00 0.50 0.00 0.00 46.19 45.30 1jb4 s LEU 89 CO 0.08 0.14 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.39 1jb4 s LYS 90 N 0.42 2.10 -0.24 1.98 2.47 -0.27 -0.99 119.74 125.21 1jb4 s LYS 90 Ca -0.18 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.40 1jb4 s LYS 90 Cb -0.18 -2.41 0.03 0.00 -1.46 0.00 0.00 37.83 33.82 1jb4 s LYS 90 CO 0.08 -0.41 -0.10 0.00 0.16 0.00 0.00 175.35 175.08 1jb4 s ALA 91 N 1.39 2.59 0.00 3.13 0.00 -1.26 -0.43 121.76 127.18 1jb4 s ALA 91 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1jb4 s ALA 91 Cb -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1jb4 s ALA 91 CO -0.08 -0.82 0.00 -0.25 0.00 0.00 0.00 175.76 174.60 1jb4 n ASP 92 N 4.60 0.00 -0.55 0.00 8.00 0.11 -0.93 116.55 127.78 1jb4 n ASP 92 Ca -0.17 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.38 1jb4 n ASP 92 Cb 0.46 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.70 1jb4 n ASP 92 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1jb4 n GLU 93 N 0.00 2.89 -2.02 -1.24 2.13 -1.26 -5.01 120.64 116.13 1jb4 n GLU 93 Ca 0.00 -1.99 -0.33 0.00 0.66 0.00 0.00 57.16 55.50 1jb4 n GLU 93 Cb 0.00 -1.24 0.02 0.00 0.27 0.00 0.00 31.44 30.49 1jb4 n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jb4 s ASP 94 N -1.02 5.62 0.63 4.31 1.01 -0.11 -4.97 116.67 122.14 1jb4 s ASP 94 Ca 0.20 1.91 -0.17 0.00 0.71 0.00 0.00 52.55 55.20 1jb4 s ASP 94 Cb 0.11 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 1jb4 s ASP 94 CO 0.13 -1.28 1.17 -2.16 0.21 0.00 0.00 175.17 173.24 1jb4 s PRO 95 N -3.95 2.84 0.42 8.23 0.04 -1.26 -4.61 135.00 136.71 1jb4 s PRO 95 Ca 0.66 1.66 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 1jb4 s PRO 95 Cb -0.18 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1jb4 s PRO 95 CO 0.36 -1.27 1.14 -0.89 0.04 0.00 0.00 177.00 176.38 1jb4 n ILE 96 N -1.96 2.51 -4.21 0.56 2.08 -1.26 -4.82 119.36 112.26 1jb4 n ILE 96 Ca 0.12 -0.50 -0.19 0.00 0.56 0.00 0.00 62.75 62.74 1jb4 n ILE 96 Cb 0.51 -1.36 -0.16 0.00 -0.75 0.00 0.00 39.64 37.88 1jb4 n ILE 96 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1jb4 s MET 97 N -2.10 0.79 0.64 0.38 -1.94 -0.16 -4.96 119.30 111.94 1jb4 s MET 97 Ca 0.62 -0.16 -0.14 0.00 -1.71 0.00 0.00 55.69 54.30 1jb4 s MET 97 Cb -0.54 -0.78 -0.02 0.00 2.01 0.00 0.00 34.83 35.51 1jb4 s MET 97 CO 0.57 -0.01 1.06 0.20 -0.01 0.00 0.00 175.02 176.84 1jb4 s GLY 98 N 0.60 1.98 0.06 -0.03 0.00 -1.26 0.58 107.32 109.24 1jb4 s GLY 98 Ca -0.08 0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.89 1jb4 s GLY 98 CO 0.00 0.64 0.14 -0.11 0.00 0.00 0.00 173.10 173.77 1jb4 s PHE 99 N -2.63 0.20 -0.06 1.90 -0.12 -0.08 -2.08 117.98 115.11 1jb4 s PHE 99 Ca 0.62 -0.58 0.02 0.00 -0.05 0.00 0.00 56.93 56.94 1jb4 s PHE 99 Cb -0.16 -0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.12 1jb4 s PHE 99 CO 0.43 -0.46 -0.10 -1.01 -0.05 0.00 0.00 175.22 174.04 1jb4 s HIS 100 N -3.34 1.23 0.01 3.49 3.76 -0.40 -2.40 115.29 117.64 1jb4 s HIS 100 Ca 0.01 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1jb4 s HIS 100 Cb 0.03 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.78 1jb4 s HIS 100 CO -0.08 -0.24 0.01 -1.14 -0.85 0.00 0.00 174.74 172.44 1jb4 s GLN 101 N 0.68 0.28 0.00 1.40 0.74 0.27 -1.55 119.66 121.47 1jb4 s GLN 101 Ca -0.13 -0.45 0.05 0.00 0.05 0.00 0.00 55.36 54.88 1jb4 s GLN 101 Cb -0.15 0.11 -0.02 0.00 1.10 0.00 0.00 33.01 34.05 1jb4 s GLN 101 CO 0.03 -0.05 -0.16 -1.21 -0.55 0.00 0.00 175.29 173.34 1jb4 s GLU 102 N -1.16 1.27 0.04 1.67 2.02 0.45 -0.41 118.70 122.59 1jb4 s GLU 102 Ca -0.13 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1jb4 s GLU 102 Cb -0.08 -1.25 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 1jb4 s GLU 102 CO -0.00 0.34 -0.09 -0.06 0.02 0.00 0.00 175.26 175.46 1jb4 s PHE 103 N -0.49 0.79 -0.13 1.61 0.40 -0.80 -1.15 117.98 118.21 1jb4 s PHE 103 Ca 0.06 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1jb4 s PHE 103 Cb -0.07 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.01 1jb4 s PHE 103 CO -0.00 -0.03 -0.15 -1.17 0.70 0.00 0.00 175.22 174.57 1jb4 s LEU 104 N -1.28 1.71 0.18 -0.37 2.96 -0.08 -0.65 118.68 121.16 1jb4 s LEU 104 Ca -0.05 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.49 1jb4 s LEU 104 Cb -0.08 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1jb4 s LEU 104 CO 0.01 -0.02 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.17 1jb4 s LEU 105 N 1.22 2.99 -0.02 -0.68 1.43 0.13 -1.73 118.68 122.02 1jb4 s LEU 105 Ca -0.01 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 1jb4 s LEU 105 Cb -0.14 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1jb4 s LEU 105 CO -0.06 0.10 0.52 -0.75 0.23 0.00 0.00 176.35 176.39 1jb4 s LYS 106 N -2.86 0.92 -0.41 1.70 2.20 -0.63 -0.83 119.74 119.83 1jb4 s LYS 106 Ca 0.25 0.00 -0.21 0.00 -0.36 0.00 0.00 55.97 55.66 1jb4 s LYS 106 Cb -0.09 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.67 1jb4 s LYS 106 CO 0.15 -0.29 0.66 1.21 -0.36 0.00 0.00 175.35 176.72 1jb4 s ASN 107 N -1.40 6.38 -0.09 1.43 2.47 -1.26 -1.08 114.94 121.39 1jb4 s ASN 107 Ca -0.11 -0.11 0.02 0.00 0.42 0.00 0.00 52.86 53.08 1jb4 s ASN 107 Cb -0.02 -2.33 0.01 0.00 -1.45 0.00 0.00 41.25 37.46 1jb4 s ASN 107 CO 0.06 -0.72 -0.15 -0.63 -3.72 0.00 0.00 177.10 171.94 1jb4 s ILE 108 N 2.83 1.41 -1.39 -5.21 1.01 0.48 -4.75 121.20 115.58 1jb4 s ILE 108 Ca 0.24 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1jb4 s ILE 108 Cb -0.14 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1jb4 s ILE 108 CO 0.18 0.42 0.58 0.59 0.00 0.00 0.00 174.94 176.71 1jb4 n ASN 109 N 3.93 -1.07 -1.46 3.58 3.02 -1.26 -1.68 115.26 120.32 1jb4 n ASN 109 Ca -0.21 -0.92 -0.16 0.00 -0.03 0.00 0.00 54.58 53.27 1jb4 n ASN 109 Cb 0.52 -3.48 -0.04 0.00 -0.61 0.00 0.00 39.78 36.16 1jb4 n ASN 109 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jb4 n ASP 110 N -2.99 -4.82 -3.80 6.41 8.00 -1.26 -5.01 116.55 113.08 1jb4 n ASP 110 Ca -0.27 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1jb4 n ASP 110 Cb 0.66 -3.81 -0.12 0.00 -0.02 0.00 0.00 41.12 37.83 1jb4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb4 s ALA 111 N -2.67 -0.54 -0.41 2.24 0.00 -0.67 -5.11 121.76 114.60 1jb4 s ALA 111 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 1jb4 s ALA 111 Cb 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1jb4 s ALA 111 CO 0.00 -0.11 1.08 -1.58 0.00 0.00 0.00 175.76 175.15 1jb4 s TRP 112 N 0.05 2.97 0.32 0.00 0.52 -1.26 -0.39 118.94 121.15 1jb4 s TRP 112 Ca -0.01 0.87 0.10 0.00 0.02 0.00 0.00 56.10 57.09 1jb4 s TRP 112 Cb -0.02 -4.06 -0.06 0.00 -1.15 0.00 0.00 33.47 28.18 1jb4 s TRP 112 CO 0.00 -1.04 -0.14 0.14 0.02 0.00 0.00 176.95 175.94 1jb4 s VAL 113 N 4.03 2.35 -0.33 4.03 -7.23 -0.24 -4.92 120.40 118.09 1jb4 s VAL 113 Ca 0.45 -2.28 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 1jb4 s VAL 113 Cb -0.10 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1jb4 s VAL 113 CO 0.24 -0.28 0.37 0.00 -0.31 0.00 0.00 175.10 175.12 1jb4 n THR 115 N 5.24 0.98 -3.80 0.00 -2.24 -0.70 -4.33 114.28 109.43 1jb4 n THR 115 Ca -0.09 -0.66 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 1jb4 n THR 115 Cb 0.50 -0.58 -0.17 0.00 -2.10 0.00 0.00 70.33 67.98 1jb4 n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1jb4 s ASN 116 N -5.57 0.65 -0.06 3.42 0.01 -1.22 -0.81 114.94 111.36 1jb4 s ASN 116 Ca -0.03 0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1jb4 s ASN 116 Cb 0.09 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.59 1jb4 s ASN 116 CO 0.82 -0.16 -0.08 -0.62 -1.51 0.00 0.00 177.10 175.55 1jb4 s ASP 117 N 1.46 1.47 -0.06 -1.22 -1.08 -0.48 -0.90 116.67 115.85 1jb4 s ASP 117 Ca -0.04 -0.21 0.01 0.00 -0.52 0.00 0.00 52.55 51.78 1jb4 s ASP 117 Cb -0.13 -0.65 0.02 0.00 -1.46 0.00 0.00 42.92 40.71 1jb4 s ASP 117 CO -0.03 -0.04 -0.05 -0.04 0.52 0.00 0.00 175.17 175.53 1jb4 s MET 118 N 0.98 1.02 -0.01 4.34 -1.94 -0.30 -1.87 119.30 121.52 1jb4 s MET 118 Ca -0.09 -0.14 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 1jb4 s MET 118 Cb -0.15 -1.04 -0.00 0.00 2.01 0.00 0.00 34.83 35.65 1jb4 s MET 118 CO 0.00 -0.12 -0.08 0.12 -0.01 0.00 0.00 175.02 174.93 1jb4 s PHE 119 N 1.14 0.74 -0.03 -0.03 5.36 -0.13 -0.41 117.98 124.62 1jb4 s PHE 119 Ca -0.07 -0.14 -0.12 0.00 -0.96 0.00 0.00 56.93 55.63 1jb4 s PHE 119 Cb -0.14 -0.49 0.02 0.00 -0.34 0.00 0.00 43.02 42.07 1jb4 s PHE 119 CO -0.01 -0.02 0.26 1.03 -1.46 0.00 0.00 175.22 175.02 1jb4 s ARG 120 N -0.12 0.55 0.02 10.12 0.52 -0.60 -1.52 118.95 127.92 1jb4 s ARG 120 Ca 0.02 -0.10 -0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1jb4 s ARG 120 Cb -0.04 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 1jb4 s ARG 120 CO -0.00 -0.13 0.12 -0.51 0.02 0.00 0.00 175.30 174.80 1jb4 s LEU 121 N -0.99 4.06 -0.07 2.53 1.43 -1.26 -1.27 118.68 123.10 1jb4 s LEU 121 Ca -0.11 0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.98 1jb4 s LEU 121 Cb -0.05 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1jb4 s LEU 121 CO 0.03 0.23 0.55 0.00 0.23 0.00 0.00 176.35 177.39 1jb4 s ALA 122 N -1.31 3.46 -0.53 4.21 0.00 -0.88 -4.97 121.76 121.74 1jb4 s ALA 122 Ca 0.27 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 1jb4 s ALA 122 Cb -0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1jb4 s ALA 122 CO 0.19 0.05 2.19 -0.51 0.00 0.00 0.00 175.76 177.68 1jb4 s LEU 123 N 0.36 3.36 0.46 0.00 1.43 -1.26 -4.54 118.68 118.49 1jb4 s LEU 123 Ca 0.29 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.04 1jb4 s LEU 123 Cb -0.16 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 1jb4 s LEU 123 CO 0.14 -2.67 0.91 -2.28 0.23 0.00 0.00 176.35 172.67 1jb4 s HIS 124 N 10.92 3.43 0.40 0.29 2.46 -1.26 -5.10 115.29 126.43 1jb4 s HIS 124 Ca 0.86 1.36 0.04 0.00 0.47 0.00 0.00 55.06 57.79 1jb4 s HIS 124 Cb -0.16 -2.69 -0.02 0.00 -0.13 0.00 0.00 32.58 29.58 1jb4 s HIS 124 CO 0.24 -0.23 0.15 -0.80 -2.47 0.00 0.00 174.74 171.63 1jb4 s ASN 125 N -2.89 2.63 0.00 9.88 0.01 -1.26 -5.15 114.94 118.16 1jb4 s ASN 125 Ca 0.57 -1.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.04 1jb4 s ASN 125 Cb -0.10 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.07 1jb4 s ASN 125 CO 0.27 -0.95 0.00 0.33 -1.51 0.00 0.00 177.10 175.25