#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj4 h LEU 3 N 0.00 0.74 -0.43 1.20 5.85 -1.96 -1.03 115.31 119.68 1rj4 h LEU 3 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1rj4 h LEU 3 Cb 0.00 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1rj4 h LEU 3 CO 0.00 0.50 0.09 0.58 -0.34 0.00 0.00 178.44 179.27 1rj4 h VAL 4 N 0.88 0.78 0.19 1.05 2.07 -1.94 0.13 116.25 119.42 1rj4 h VAL 4 Ca 0.32 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 1rj4 h VAL 4 Cb 0.09 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1rj4 h VAL 4 CO -0.14 0.04 -0.09 -0.33 0.02 0.00 0.00 177.57 177.07 1rj4 h GLU 5 N 0.23 -0.25 -0.56 1.57 5.08 -1.82 0.12 114.58 118.95 1rj4 h GLU 5 Ca 0.21 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 1rj4 h GLU 5 Cb 0.25 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1rj4 h GLU 5 CO -0.27 -0.16 0.12 1.15 -1.00 0.00 0.00 179.01 178.86 1rj4 h THR 6 N -0.27 0.68 -0.08 1.13 2.02 -0.66 -2.33 112.91 113.40 1rj4 h THR 6 Ca -0.03 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1rj4 h THR 6 Cb 0.21 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1rj4 h THR 6 CO 0.04 0.05 -0.12 0.74 0.37 0.00 0.00 175.52 176.60 1rj4 h THR 7 N 0.26 1.39 0.00 3.16 2.02 -0.61 -3.21 112.91 115.91 1rj4 h THR 7 Ca 0.29 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1rj4 h THR 7 Cb 0.41 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1rj4 h THR 7 CO -0.37 0.38 -0.04 0.00 0.37 0.00 0.00 175.52 175.86 1rj4 h LYS 9 N 0.00 0.00 -1.54 0.00 1.57 -1.42 -3.18 116.57 111.99 1rj4 h LYS 9 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1rj4 h LYS 9 Cb 0.10 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.16 1rj4 h LYS 9 CO 0.01 0.00 0.85 0.09 -0.57 0.00 0.00 179.45 179.83 1rj4 n ASN 10 N -2.69 7.39 -4.01 0.86 4.13 0.29 -4.93 115.26 116.31 1rj4 n ASN 10 Ca 0.03 -3.67 -0.10 0.00 1.68 0.00 0.00 54.58 52.53 1rj4 n ASN 10 Cb 0.40 -1.05 -0.08 0.00 -1.54 0.00 0.00 39.78 37.51 1rj4 n ASN 10 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1rj4 s THR 11 N -4.38 0.07 -1.12 3.41 -4.23 -1.20 -4.52 115.64 103.66 1rj4 s THR 11 Ca 0.56 -1.52 0.22 0.00 -1.18 0.00 0.00 61.69 59.77 1rj4 s THR 11 Cb 0.44 -1.93 0.24 0.00 1.34 0.00 0.00 72.50 72.59 1rj4 s THR 11 CO -0.19 -0.30 1.71 -2.65 -0.54 0.00 0.00 174.62 172.66 1rj4 n PRO 12 N -0.20 0.09 -3.02 3.99 -0.02 -1.26 -4.35 135.00 130.23 1rj4 n PRO 12 Ca -0.06 0.11 -0.15 0.00 -2.02 0.00 0.00 63.50 61.38 1rj4 n PRO 12 Cb 0.63 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 1rj4 n PRO 12 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1rj4 n ASN 13 N -1.44 -1.92 -0.27 2.55 4.05 -1.26 -5.01 115.26 111.96 1rj4 n ASN 13 Ca 0.07 -2.77 0.03 0.00 0.45 0.00 0.00 54.58 52.36 1rj4 n ASN 13 Cb 0.23 0.69 0.11 0.00 1.23 0.00 0.00 39.78 42.05 1rj4 n ASN 13 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1rj4 h TYR 14 N 4.92 -0.35 0.32 1.20 3.20 -1.76 -0.17 116.97 124.33 1rj4 h TYR 14 Ca 0.10 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1rj4 h TYR 14 Cb 1.00 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 1rj4 h TYR 14 CO 0.17 -0.32 -0.37 0.37 -1.64 0.00 0.00 178.16 176.37 1rj4 h GLN 15 N 0.01 -0.71 -0.39 1.82 4.15 -1.95 0.68 115.11 118.73 1rj4 h GLN 15 Ca 0.39 0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.79 1rj4 h GLN 15 Cb 0.61 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1rj4 h GLN 15 CO -0.79 -0.47 -0.02 1.25 -1.93 0.00 0.00 178.83 176.88 1rj4 h LEU 16 N -0.73 0.60 -0.26 -2.39 5.85 -1.89 -0.09 115.31 116.39 1rj4 h LEU 16 Ca -0.02 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1rj4 h LEU 16 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1rj4 h LEU 16 CO -0.10 0.68 0.06 0.00 -0.34 0.00 0.00 178.44 178.74 1rj4 h LEU 18 N 0.25 0.04 -0.84 0.00 5.85 0.63 -1.52 115.31 119.73 1rj4 h LEU 18 Ca 0.08 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.68 1rj4 h LEU 18 Cb 0.30 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1rj4 h LEU 18 CO 0.00 0.23 0.50 0.50 -0.34 0.00 0.00 178.44 179.34 1rj4 h LYS 19 N -0.15 0.86 -0.14 1.25 3.64 -0.94 0.31 116.57 121.39 1rj4 h LYS 19 Ca 0.01 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1rj4 h LYS 19 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1rj4 h LYS 19 CO -0.00 0.57 -0.39 1.15 -2.27 0.00 0.00 179.45 178.50 1rj4 h THR 20 N 0.88 1.36 -0.09 1.00 2.02 -1.06 -3.00 112.91 114.02 1rj4 h THR 20 Ca 0.38 -1.67 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 1rj4 h THR 20 Cb 0.26 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1rj4 h THR 20 CO -0.21 0.50 -0.18 -0.07 0.37 0.00 0.00 175.52 175.94 1rj4 h LEU 21 N 0.14 0.32 -0.01 2.58 3.38 -1.11 -3.18 115.31 117.44 1rj4 h LEU 21 Ca -0.01 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1rj4 h LEU 21 Cb 1.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1rj4 h LEU 21 CO 0.08 0.82 0.00 0.18 0.09 0.00 0.00 178.44 179.61 1rj4 n LEU 22 N -4.55 0.01 -0.34 1.67 4.77 0.08 -2.09 117.00 116.55 1rj4 n LEU 22 Ca -0.07 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.55 1rj4 n LEU 22 Cb 0.40 -0.50 0.48 0.00 -2.33 0.00 0.00 43.42 41.46 1rj4 n LEU 22 CO 0.39 -0.24 0.78 -1.20 -1.33 0.00 0.00 177.39 175.79 1rj4 n SER 23 N -1.51 1.17 -4.28 -1.43 7.64 -1.13 -4.78 113.62 109.30 1rj4 n SER 23 Ca 0.04 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.45 1rj4 n SER 23 Cb 0.18 0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.28 1rj4 n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rj4 s ASP 24 N -2.26 3.55 0.46 6.43 -1.08 -0.89 -5.02 116.67 117.87 1rj4 s ASP 24 Ca 0.31 -0.46 0.12 0.00 -0.52 0.00 0.00 52.55 52.00 1rj4 s ASP 24 Cb 0.20 -1.52 1.04 0.00 -1.46 0.00 0.00 42.92 41.19 1rj4 s ASP 24 CO 0.43 0.14 2.08 0.11 0.52 0.00 0.00 175.17 178.45 1rj4 h LYS 25 N 6.89 0.31 0.00 4.34 1.57 -1.86 -2.35 116.57 125.46 1rj4 h LYS 25 Ca -0.25 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1rj4 h LYS 25 Cb 1.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1rj4 h LYS 25 CO 0.53 0.21 -0.01 0.00 -0.57 0.00 0.00 179.45 179.60 1rj4 h ARG 26 N 0.32 0.00 0.00 3.15 3.08 -1.95 -2.63 114.38 116.35 1rj4 h ARG 26 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1rj4 h ARG 26 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1rj4 h ARG 26 CO -0.02 0.01 -0.08 0.66 -1.07 0.00 0.00 179.97 179.47 1rj4 h SER 27 N 0.00 0.00 -0.12 7.04 4.64 -1.63 0.77 113.55 124.25 1rj4 h SER 27 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1rj4 h SER 27 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 1rj4 h SER 27 CO 0.00 0.08 -0.21 0.00 -0.87 0.00 0.00 176.83 175.83 1rj4 h ALA 28 N 1.92 -0.17 0.00 5.18 0.00 -1.68 -3.23 119.26 121.29 1rj4 h ALA 28 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rj4 h ALA 28 Cb 0.15 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rj4 h ALA 28 CO 0.01 -0.66 -1.55 -2.37 0.00 0.00 0.00 179.25 174.67 1rj4 n THR 29 N -5.34 0.00 -1.65 0.00 5.66 -1.18 -4.97 114.28 106.80 1rj4 n THR 29 Ca -0.03 -0.32 -0.37 0.00 -3.05 0.00 0.00 64.05 60.27 1rj4 n THR 29 Cb 0.26 0.34 0.06 0.00 -1.55 0.00 0.00 70.33 69.43 1rj4 n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rj4 n GLY 30 N 1.45 -0.09 1.45 1.09 0.00 0.25 -5.05 105.19 104.30 1rj4 n GLY 30 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1rj4 n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rj4 n ASP 31 N -1.10 0.72 -0.10 1.61 3.85 -1.26 -4.85 116.55 115.42 1rj4 n ASP 31 Ca 0.14 -1.54 -0.05 0.00 -0.71 0.00 0.00 54.79 52.63 1rj4 n ASP 31 Cb 0.48 -0.18 0.01 0.00 -1.35 0.00 0.00 41.12 40.08 1rj4 n ASP 31 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1rj4 h ILE 32 N -0.08 0.65 -0.96 2.12 1.08 -1.99 -1.27 117.51 117.07 1rj4 h ILE 32 Ca -0.11 -0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1rj4 h ILE 32 Cb 0.46 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 34.79 1rj4 h ILE 32 CO 0.14 0.00 0.62 0.74 -0.69 0.00 0.00 178.15 178.96 1rj4 h THR 33 N 0.01 1.13 -0.49 -0.27 2.02 -1.95 -1.03 112.91 112.34 1rj4 h THR 33 Ca 0.17 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1rj4 h THR 33 Cb 0.26 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1rj4 h THR 33 CO -0.37 0.21 0.21 0.74 0.37 0.00 0.00 175.52 176.69 1rj4 h THR 34 N 1.18 1.20 -0.68 3.16 2.02 -1.75 0.29 112.91 118.32 1rj4 h THR 34 Ca 0.39 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1rj4 h THR 34 Cb 0.06 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1rj4 h THR 34 CO -0.14 0.23 0.26 -0.07 0.37 0.00 0.00 175.52 176.18 1rj4 h LEU 35 N 0.65 0.93 -0.05 2.58 3.38 -0.79 0.45 115.31 122.46 1rj4 h LEU 35 Ca 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rj4 h LEU 35 Cb 0.17 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1rj4 h LEU 35 CO -0.02 0.84 0.03 0.00 0.09 0.00 0.00 178.44 179.38 1rj4 h ALA 36 N 1.29 0.06 -0.46 1.53 0.00 -0.57 -1.82 119.26 119.29 1rj4 h ALA 36 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1rj4 h ALA 36 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rj4 h ALA 36 CO -0.02 -0.41 0.26 -0.07 0.00 0.00 0.00 179.25 179.02 1rj4 h LEU 37 N 0.01 0.56 -0.44 0.00 3.38 0.43 0.26 115.31 119.50 1rj4 h LEU 37 Ca 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1rj4 h LEU 37 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1rj4 h LEU 37 CO -0.00 0.45 0.17 0.40 0.09 0.00 0.00 178.44 179.54 1rj4 h ILE 38 N 0.64 1.21 -0.67 1.22 2.04 -0.63 -1.00 117.51 120.32 1rj4 h ILE 38 Ca 0.17 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1rj4 h ILE 38 Cb 0.01 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1rj4 h ILE 38 CO -0.03 0.24 0.44 0.24 0.00 0.00 0.00 178.15 179.04 1rj4 h MET 39 N 0.57 0.89 -0.75 2.37 2.86 -0.42 -1.36 114.93 119.10 1rj4 h MET 39 Ca 0.15 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1rj4 h MET 39 Cb 0.21 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1rj4 h MET 39 CO -0.01 0.60 0.49 0.28 1.06 0.00 0.00 176.91 179.34 1rj4 h VAL 40 N 0.91 1.18 -0.99 -2.22 2.07 -0.51 -1.73 116.25 114.96 1rj4 h VAL 40 Ca 0.25 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1rj4 h VAL 40 Cb -0.08 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 1rj4 h VAL 40 CO -0.05 0.18 0.65 0.44 0.02 0.00 0.00 177.57 178.81 1rj4 h ASP 41 N 1.00 1.11 -0.11 0.57 3.32 -0.55 -0.21 116.42 121.55 1rj4 h ASP 41 Ca 0.28 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1rj4 h ASP 41 Cb -0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 1rj4 h ASP 41 CO -0.07 0.78 -0.10 0.00 -1.72 0.00 0.00 179.24 178.12 1rj4 h ALA 42 N 1.40 1.34 -0.13 3.45 0.00 -0.54 -0.96 119.26 123.82 1rj4 h ALA 42 Ca 0.38 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1rj4 h ALA 42 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1rj4 h ALA 42 CO -0.10 0.45 -0.23 0.82 0.00 0.00 0.00 179.25 180.19 1rj4 h ILE 43 N 0.40 1.37 -0.42 0.00 2.04 -0.70 -2.56 117.51 117.64 1rj4 h ILE 43 Ca 0.08 -1.48 0.07 0.00 1.00 0.00 0.00 64.86 64.52 1rj4 h ILE 43 Cb 0.43 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1rj4 h ILE 43 CO 0.02 0.43 0.08 0.50 0.00 0.00 0.00 178.15 179.19 1rj4 h LYS 44 N -0.03 0.21 0.15 2.37 3.64 -0.71 0.54 116.57 122.74 1rj4 h LYS 44 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1rj4 h LYS 44 Cb 0.81 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1rj4 h LYS 44 CO 0.05 0.14 -0.35 0.00 -2.27 0.00 0.00 179.45 177.02 1rj4 h ALA 45 N 1.32 -0.63 -0.70 5.00 0.00 -1.15 0.21 119.26 123.31 1rj4 h ALA 45 Ca 0.21 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1rj4 h ALA 45 Cb 0.25 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1rj4 h ALA 45 CO -0.27 -0.91 0.46 0.87 0.00 0.00 0.00 179.25 179.41 1rj4 h LYS 46 N -0.60 0.81 -0.21 0.00 1.79 -1.08 -1.17 116.57 116.11 1rj4 h LYS 46 Ca 0.02 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.26 1rj4 h LYS 46 Cb 0.62 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1rj4 h LYS 46 CO -0.19 0.53 -0.59 0.00 -1.08 0.00 0.00 179.45 178.12 1rj4 h ALA 47 N 1.59 0.35 -0.90 3.86 0.00 -0.40 0.12 119.26 123.88 1rj4 h ALA 47 Ca 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1rj4 h ALA 47 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1rj4 h ALA 47 CO -0.08 0.59 0.52 -0.91 0.00 0.00 0.00 179.25 179.37 1rj4 h ASN 48 N 0.50 1.10 -0.41 0.00 2.35 -0.17 0.15 115.58 119.09 1rj4 h ASN 48 Ca -0.02 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1rj4 h ASN 48 Cb 1.21 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 1rj4 h ASN 48 CO 0.13 0.87 0.19 1.56 -1.65 0.00 0.00 177.43 178.53 1rj4 h GLN 49 N 1.25 0.38 -0.59 0.81 4.20 -1.01 -0.03 115.11 120.12 1rj4 h GLN 49 Ca 0.32 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 1rj4 h GLN 49 Cb -0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1rj4 h GLN 49 CO -0.06 0.25 0.17 0.00 -0.67 0.00 0.00 178.83 178.53 1rj4 h ALA 50 N 1.23 0.78 -0.40 3.87 0.00 -0.38 -0.09 119.26 124.27 1rj4 h ALA 50 Ca 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1rj4 h ALA 50 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1rj4 h ALA 50 CO -0.14 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.63 1rj4 h ALA 51 N 1.05 1.37 -0.09 0.00 0.00 -0.23 -0.46 119.26 120.90 1rj4 h ALA 51 Ca 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1rj4 h ALA 51 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rj4 h ALA 51 CO -0.00 0.45 -0.19 0.28 0.00 0.00 0.00 179.25 179.78 1rj4 h VAL 52 N 0.58 1.40 -0.65 0.00 2.07 -0.58 -2.32 116.25 116.76 1rj4 h VAL 52 Ca 0.13 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.22 1rj4 h VAL 52 Cb 0.27 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1rj4 h VAL 52 CO 0.00 0.43 0.34 0.74 0.02 0.00 0.00 177.57 179.10 1rj4 h THR 53 N -0.18 0.93 -0.72 2.57 2.02 -0.86 0.17 112.91 116.84 1rj4 h THR 53 Ca 0.00 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1rj4 h THR 53 Cb 0.78 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1rj4 h THR 53 CO 0.04 0.11 0.41 0.40 0.37 0.00 0.00 175.52 176.85 1rj4 h ILE 54 N 0.62 1.22 -0.17 3.11 2.04 -1.08 -0.98 117.51 122.26 1rj4 h ILE 54 Ca 0.30 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1rj4 h ILE 54 Cb 0.23 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1rj4 h ILE 54 CO -0.21 0.24 0.06 -1.28 0.00 0.00 0.00 178.15 176.96 1rj4 h SER 55 N 0.99 0.24 -0.12 1.72 0.87 -0.79 -1.61 113.55 114.86 1rj4 h SER 55 Ca 0.26 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1rj4 h SER 55 Cb 0.02 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 1rj4 h SER 55 CO -0.04 0.37 -0.53 0.50 -0.53 0.00 0.00 176.83 176.59 1rj4 h LYS 56 N 0.11 -0.56 -0.96 2.24 3.64 -0.70 -1.76 116.57 118.57 1rj4 h LYS 56 Ca 0.06 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1rj4 h LYS 56 Cb 0.21 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1rj4 h LYS 56 CO -0.00 -0.38 0.62 -0.07 -2.27 0.00 0.00 179.45 177.35 1rj4 h LEU 57 N -0.58 0.98 -1.34 5.20 3.38 -1.11 -1.62 115.31 120.22 1rj4 h LEU 57 Ca 0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1rj4 h LEU 57 Cb 0.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1rj4 h LEU 57 CO -0.42 0.63 -0.32 0.03 0.09 0.00 0.00 178.44 178.45 1rj4 h ARG 58 N 1.12 0.00 -0.60 1.13 3.08 -0.77 -2.70 114.38 115.65 1rj4 h ARG 58 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1rj4 h ARG 58 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1rj4 h ARG 58 CO -0.16 0.32 0.00 0.72 -1.07 0.00 0.00 179.97 179.79 1rj4 n HIS 59 N -4.00 0.98 -1.49 3.04 8.25 -0.62 -4.26 115.22 117.13 1rj4 n HIS 59 Ca -0.02 -0.40 0.04 0.00 -0.26 0.00 0.00 57.72 57.09 1rj4 n HIS 59 Cb 0.38 -0.17 0.20 0.00 1.12 0.00 0.00 29.99 31.52 1rj4 n HIS 59 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1rj4 n SER 60 N 0.71 2.03 -3.34 0.41 7.64 -1.02 -4.98 113.62 115.06 1rj4 n SER 60 Ca 0.17 -3.76 -0.12 0.00 1.01 0.00 0.00 58.87 56.17 1rj4 n SER 60 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1rj4 n SER 60 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rj4 n ASN 61 N -1.14 -6.57 -4.88 6.43 4.05 -1.26 -4.94 115.26 106.95 1rj4 n ASN 61 Ca 0.22 -0.35 -0.30 0.00 0.45 0.00 0.00 54.58 54.59 1rj4 n ASN 61 Cb 0.77 -3.72 0.04 0.00 1.23 0.00 0.00 39.78 38.10 1rj4 n ASN 61 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1rj4 s PRO 62 N -3.65 3.03 0.24 1.20 0.04 -1.25 -4.98 135.00 129.63 1rj4 s PRO 62 Ca 0.05 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 1rj4 s PRO 62 Cb -0.01 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 1rj4 s PRO 62 CO 0.81 -0.92 1.13 -2.30 0.04 0.00 0.00 177.00 175.77 1rj4 n PRO 63 N -2.93 1.38 0.02 0.56 -0.02 -1.26 -4.78 135.00 127.97 1rj4 n PRO 63 Ca 0.07 0.49 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1rj4 n PRO 63 Cb 0.56 -1.95 0.70 0.00 -0.02 0.00 0.00 33.50 32.79 1rj4 n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rj4 h ALA 64 N 2.84 2.44 0.00 3.55 0.00 -2.02 0.19 119.26 126.25 1rj4 h ALA 64 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rj4 h ALA 64 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1rj4 h ALA 64 CO 0.66 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1rj4 h ALA 65 N 1.73 1.00 0.00 0.00 0.00 -2.04 -3.14 119.26 116.81 1rj4 h ALA 65 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rj4 h ALA 65 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1rj4 h ALA 65 CO -0.00 0.00 -1.40 0.91 0.00 0.00 0.00 179.25 178.76 1rj4 n TRP 66 N -2.50 0.60 -0.08 0.00 7.02 0.65 -4.48 117.44 118.65 1rj4 n TRP 66 Ca 0.02 0.18 -0.07 0.00 -1.02 0.00 0.00 57.50 56.61 1rj4 n TRP 66 Cb 0.29 -0.79 -0.00 0.00 -2.42 0.00 0.00 31.31 28.38 1rj4 n TRP 66 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1rj4 h LYS 67 N 0.00 -0.14 0.65 -0.99 3.64 -1.48 -1.09 116.57 117.16 1rj4 h LYS 67 Ca -0.01 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1rj4 h LYS 67 Cb 1.02 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1rj4 h LYS 67 CO 0.00 -0.09 -0.31 0.78 -2.27 0.00 0.00 179.45 177.55 1rj4 h GLY 68 N -0.15 -0.91 -0.06 5.01 0.00 -1.79 -2.31 103.07 102.86 1rj4 h GLY 68 Ca 0.17 0.34 0.17 0.00 0.00 0.00 0.00 47.33 48.01 1rj4 h GLY 68 CO -0.41 -0.33 0.26 -2.55 0.00 0.00 0.00 176.54 173.51 1rj4 h PRO 69 N -1.11 0.34 -0.59 4.80 0.11 -1.78 -1.14 132.00 132.63 1rj4 h PRO 69 Ca -0.09 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1rj4 h PRO 69 Cb 0.67 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 1rj4 h PRO 69 CO 0.15 0.22 0.39 -0.07 -0.21 0.00 0.00 178.00 178.48 1rj4 h LEU 70 N 0.35 0.67 -0.64 2.35 3.38 -1.20 0.48 115.31 120.70 1rj4 h LEU 70 Ca 0.46 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1rj4 h LEU 70 Cb 0.79 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1rj4 h LEU 70 CO -0.49 0.49 0.30 0.50 0.09 0.00 0.00 178.44 179.33 1rj4 h LYS 71 N 0.80 0.93 -0.07 1.13 3.64 -0.65 -0.11 116.57 122.23 1rj4 h LYS 71 Ca 0.22 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1rj4 h LYS 71 Cb -0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1rj4 h LYS 71 CO -0.05 0.75 -0.62 -0.91 -2.27 0.00 0.00 179.45 176.35 1rj4 h ASN 72 N 0.89 0.28 0.39 4.20 2.35 -0.92 -2.19 115.58 120.59 1rj4 h ASN 72 Ca 0.22 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1rj4 h ASN 72 Cb 0.13 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1rj4 h ASN 72 CO -0.03 0.82 -0.40 0.00 -1.65 0.00 0.00 177.43 176.18 1rj4 h ALA 74 N 1.59 0.83 -0.63 0.00 0.00 -0.40 -2.36 119.26 118.29 1rj4 h ALA 74 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1rj4 h ALA 74 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1rj4 h ALA 74 CO 0.05 0.66 0.07 0.74 0.00 0.00 0.00 179.25 180.76 1rj4 h PHE 75 N 0.98 1.13 -0.44 0.00 0.04 -1.16 -1.64 116.94 115.86 1rj4 h PHE 75 Ca 0.18 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1rj4 h PHE 75 Cb 0.53 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1rj4 h PHE 75 CO 0.04 0.97 0.28 0.77 -0.60 0.00 0.00 178.31 179.77 1rj4 h SER 76 N 0.99 0.47 1.25 2.17 0.02 -1.09 -2.06 113.55 115.30 1rj4 h SER 76 Ca 0.19 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1rj4 h SER 76 Cb 0.47 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1rj4 h SER 76 CO 0.02 0.34 -0.35 1.88 -1.14 0.00 0.00 176.83 177.57 1rj4 h TYR 77 N 0.56 0.00 -0.42 3.45 0.05 -1.35 -2.25 116.97 117.02 1rj4 h TYR 77 Ca 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 1rj4 h TYR 77 Cb -0.04 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1rj4 h TYR 77 CO -0.05 0.35 0.12 -0.22 -1.05 0.00 0.00 178.16 177.31 1rj4 h LYS 78 N 0.00 0.65 -0.11 4.88 3.64 -0.98 0.19 116.57 124.84 1rj4 h LYS 78 Ca -0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1rj4 h LYS 78 Cb 1.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1rj4 h LYS 78 CO 0.05 0.66 0.06 0.28 -2.27 0.00 0.00 179.45 178.22 1rj4 h VAL 79 N 0.53 1.10 -0.60 2.00 2.07 -1.22 0.11 116.25 120.24 1rj4 h VAL 79 Ca 0.13 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1rj4 h VAL 79 Cb 0.29 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1rj4 h VAL 79 CO -0.00 0.09 0.34 0.40 0.02 0.00 0.00 177.57 178.42 1rj4 h ILE 80 N 0.07 1.00 0.10 4.57 2.04 -1.18 -1.14 117.51 122.96 1rj4 h ILE 80 Ca 0.04 -0.22 -0.27 0.00 1.00 0.00 0.00 64.86 65.41 1rj4 h ILE 80 Cb 0.10 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1rj4 h ILE 80 CO -0.01 0.12 -1.24 -0.07 0.00 0.00 0.00 178.15 176.96 1rj4 h LEU 81 N 0.65 0.32 -0.47 1.44 3.38 -0.83 -2.05 115.31 117.76 1rj4 h LEU 81 Ca 0.26 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rj4 h LEU 81 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1rj4 h LEU 81 CO -0.15 1.29 -0.70 0.35 0.09 0.00 0.00 178.44 179.32 1rj4 n THR 82 N -3.48 0.00 0.10 0.22 -2.24 0.37 -4.58 114.28 104.67 1rj4 n THR 82 Ca -0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1rj4 n THR 82 Cb 1.01 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 1rj4 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rj4 n ALA 83 N -0.80 3.00 0.03 6.98 0.00 -0.51 -4.86 120.51 124.36 1rj4 n ALA 83 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1rj4 n ALA 83 Cb 0.39 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 1rj4 n ALA 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rj4 h SER 84 N 0.00 -0.04 -0.20 0.00 0.02 -1.37 -1.35 113.55 110.61 1rj4 h SER 84 Ca 0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1rj4 h SER 84 Cb 0.00 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1rj4 h SER 84 CO 0.00 -0.02 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.43 1rj4 h LEU 85 N -0.01 0.50 -0.91 5.07 3.38 -1.63 -0.75 115.31 120.96 1rj4 h LEU 85 Ca 0.01 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1rj4 h LEU 85 Cb 0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1rj4 h LEU 85 CO -0.03 0.85 0.59 -0.65 0.09 0.00 0.00 178.44 179.30 1rj4 h PRO 86 N 0.15 1.13 -0.54 1.13 0.11 -1.80 -0.34 132.00 131.85 1rj4 h PRO 86 Ca 0.04 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 1rj4 h PRO 86 Cb 0.70 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1rj4 h PRO 86 CO 0.04 0.75 0.08 1.49 -0.21 0.00 0.00 178.00 180.15 1rj4 h GLU 87 N 1.17 0.86 -0.32 1.05 4.81 -1.12 -1.44 114.58 119.58 1rj4 h GLU 87 Ca 0.36 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1rj4 h GLU 87 Cb -0.03 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1rj4 h GLU 87 CO -0.11 0.81 -0.20 0.00 -0.73 0.00 0.00 179.01 178.78 1rj4 h ALA 88 N 1.27 1.06 0.03 2.92 0.00 0.12 -1.05 119.26 123.62 1rj4 h ALA 88 Ca 0.17 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rj4 h ALA 88 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rj4 h ALA 88 CO 0.01 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.63 1rj4 h ILE 89 N 0.54 1.25 -0.52 0.00 2.04 -0.80 -1.21 117.51 118.81 1rj4 h ILE 89 Ca 0.08 -0.92 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1rj4 h ILE 89 Cb 0.63 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.50 1rj4 h ILE 89 CO 0.04 0.23 0.08 -0.08 0.00 0.00 0.00 178.15 178.42 1rj4 h GLU 90 N -0.45 0.20 -0.79 2.37 4.57 -1.19 -0.20 114.58 119.10 1rj4 h GLU 90 Ca -0.00 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1rj4 h GLU 90 Cb 0.42 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1rj4 h GLU 90 CO 0.01 0.13 0.32 0.00 -1.18 0.00 0.00 179.01 178.29 1rj4 h ALA 91 N 1.42 1.02 -0.46 2.92 0.00 -1.09 0.30 119.26 123.37 1rj4 h ALA 91 Ca 0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1rj4 h ALA 91 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1rj4 h ALA 91 CO -0.37 0.64 -0.09 -0.07 0.00 0.00 0.00 179.25 179.37 1rj4 h LEU 92 N 1.14 0.88 -0.50 0.00 3.38 -0.61 0.14 115.31 119.73 1rj4 h LEU 92 Ca 0.26 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1rj4 h LEU 92 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1rj4 h LEU 92 CO -0.02 1.02 0.25 0.74 0.09 0.00 0.00 178.44 180.52 1rj4 h THR 93 N 0.72 1.19 0.00 0.22 2.02 -0.77 -3.16 112.91 113.13 1rj4 h THR 93 Ca 0.12 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 1rj4 h THR 93 Cb 0.63 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1rj4 h THR 93 CO 0.04 0.21 -0.70 0.11 0.37 0.00 0.00 175.52 175.55 1rj4 h LYS 94 N 0.67 0.00 0.00 6.66 1.79 -0.30 -3.48 116.57 121.90 1rj4 h LYS 94 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1rj4 h LYS 94 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1rj4 h LYS 94 CO -0.02 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 1rj4 n GLY 95 N 1.27 1.89 2.64 3.86 0.00 0.28 -5.05 105.19 110.08 1rj4 n GLY 95 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1rj4 n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rj4 n ASP 96 N 0.00 3.26 -0.34 1.61 8.00 -0.08 -4.96 116.55 124.03 1rj4 n ASP 96 Ca 0.00 -3.30 0.19 0.00 0.71 0.00 0.00 54.79 52.39 1rj4 n ASP 96 Cb 0.00 -0.71 0.42 0.00 -0.02 0.00 0.00 41.12 40.81 1rj4 n ASP 96 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1rj4 h PRO 97 N 4.77 0.52 -0.73 -0.24 0.13 -1.92 -1.68 132.00 132.85 1rj4 h PRO 97 Ca 0.17 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.41 1rj4 h PRO 97 Cb 0.71 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.68 1rj4 h PRO 97 CO 0.76 0.34 0.49 -0.22 -0.23 0.00 0.00 178.00 179.15 1rj4 h LYS 98 N 0.53 0.42 -0.50 0.86 1.63 -1.93 0.40 116.57 117.98 1rj4 h LYS 98 Ca 0.63 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 60.29 1rj4 h LYS 98 Cb 1.30 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 1rj4 h LYS 98 CO -0.42 0.28 -0.14 0.74 -3.45 0.00 0.00 179.45 176.46 1rj4 h PHE 99 N 0.43 1.11 -0.57 1.91 0.04 -1.69 -0.80 116.94 117.36 1rj4 h PHE 99 Ca 0.36 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 1rj4 h PHE 99 Cb 0.78 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1rj4 h PHE 99 CO -0.00 1.05 0.04 0.00 -0.60 0.00 0.00 178.31 178.80 1rj4 h ALA 100 N 0.89 0.99 0.19 2.45 0.00 -1.30 -0.46 119.26 122.02 1rj4 h ALA 100 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1rj4 h ALA 100 Cb 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rj4 h ALA 100 CO 0.05 0.63 -0.09 1.49 0.00 0.00 0.00 179.25 181.33 1rj4 h GLU 101 N 0.89 -0.24 -0.59 0.00 4.81 -0.63 -1.51 114.58 117.31 1rj4 h GLU 101 Ca 0.17 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1rj4 h GLU 101 Cb 0.47 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1rj4 h GLU 101 CO 0.02 -0.14 0.39 -0.44 -0.73 0.00 0.00 179.01 178.11 1rj4 h ASP 102 N -0.27 0.50 -0.42 1.04 3.45 -0.85 -0.86 116.42 119.01 1rj4 h ASP 102 Ca -0.03 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 1rj4 h ASP 102 Cb 0.21 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1rj4 h ASP 102 CO 0.04 0.32 0.01 1.23 -1.57 0.00 0.00 179.24 179.27 1rj4 h GLY 103 N 0.57 0.88 0.80 2.75 0.00 -0.47 -0.44 103.07 107.16 1rj4 h GLY 103 Ca 0.26 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1rj4 h GLY 103 CO -0.07 0.54 -0.09 -0.33 0.00 0.00 0.00 176.54 176.59 1rj4 h MET 104 N 0.76 0.42 -0.69 4.80 2.86 -0.24 0.08 114.93 122.91 1rj4 h MET 104 Ca 0.15 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1rj4 h MET 104 Cb 0.45 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1rj4 h MET 104 CO 0.02 0.70 0.43 0.28 1.06 0.00 0.00 176.91 179.41 1rj4 h VAL 105 N 0.12 1.11 -0.28 -2.22 2.07 -1.00 -0.77 116.25 115.27 1rj4 h VAL 105 Ca 0.05 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1rj4 h VAL 105 Cb 0.58 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1rj4 h VAL 105 CO 0.03 0.16 0.10 1.23 0.02 0.00 0.00 177.57 179.10 1rj4 h GLY 106 N 0.85 0.46 1.00 2.17 0.00 -0.93 -1.67 103.07 104.95 1rj4 h GLY 106 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1rj4 h GLY 106 CO -0.10 0.25 0.35 1.76 0.00 0.00 0.00 176.54 178.80 1rj4 h SER 107 N 0.30 0.85 -0.75 0.19 0.02 -0.53 0.20 113.55 113.83 1rj4 h SER 107 Ca 0.09 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1rj4 h SER 107 Cb 0.22 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1rj4 h SER 107 CO -0.00 0.72 0.46 -1.28 -1.14 0.00 0.00 176.83 175.59 1rj4 h SER 108 N 0.92 0.90 -0.01 3.07 0.87 -1.12 -1.68 113.55 116.50 1rj4 h SER 108 Ca 0.23 -0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.57 1rj4 h SER 108 Cb 0.07 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1rj4 h SER 108 CO -0.04 0.69 -0.59 1.23 -0.53 0.00 0.00 176.83 177.59 1rj4 h GLY 109 N 1.03 0.67 1.53 5.77 0.00 -0.56 -2.48 103.07 109.03 1rj4 h GLY 109 Ca 0.27 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1rj4 h GLY 109 CO -0.05 0.73 -0.23 -0.55 0.00 0.00 0.00 176.54 176.44 1rj4 h ASP 110 N 0.46 0.55 -0.34 0.19 3.32 -0.46 0.11 116.42 120.24 1rj4 h ASP 110 Ca -0.00 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1rj4 h ASP 110 Cb 1.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1rj4 h ASP 110 CO 0.11 0.77 -0.08 0.00 -1.72 0.00 0.00 179.24 178.32 1rj4 h ALA 111 N 1.27 0.47 0.00 3.45 0.00 -1.26 -2.05 119.26 121.14 1rj4 h ALA 111 Ca 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1rj4 h ALA 111 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rj4 h ALA 111 CO 0.05 0.31 -0.50 1.96 0.00 0.00 0.00 179.25 181.07 1rj4 h GLN 112 N 0.44 0.00 -0.21 0.00 4.20 -1.26 -2.25 115.11 116.04 1rj4 h GLN 112 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1rj4 h GLN 112 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1rj4 h GLN 112 CO 0.03 0.50 0.10 1.49 -0.67 0.00 0.00 178.83 180.28 1rj4 h GLU 113 N 0.00 0.30 0.37 1.46 4.81 -0.56 -1.49 114.58 119.46 1rj4 h GLU 113 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1rj4 h GLU 113 Cb 0.90 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1rj4 h GLU 113 CO 0.06 0.33 -0.18 0.00 -0.73 0.00 0.00 179.01 178.50 1rj4 h GLU 115 N -0.50 0.87 0.00 0.00 4.57 -1.35 -0.20 114.58 117.97 1rj4 h GLU 115 Ca -0.05 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1rj4 h GLU 115 Cb 0.38 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1rj4 h GLU 115 CO 0.08 0.58 -0.05 0.93 -1.18 0.00 0.00 179.01 179.37 1rj4 h GLU 116 N 0.90 0.00 0.00 1.92 4.39 -1.09 -2.43 114.58 118.27 1rj4 h GLU 116 Ca 0.46 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.13 1rj4 h GLU 116 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1rj4 h GLU 116 CO -0.26 0.05 -0.11 1.88 -1.16 0.00 0.00 179.01 179.40 1rj4 h TYR 117 N 0.00 0.00 -1.96 4.33 0.05 -0.55 -3.33 116.97 115.51 1rj4 h TYR 117 Ca -0.00 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.12 1rj4 h TYR 117 Cb 0.44 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.03 1rj4 h TYR 117 CO 0.00 0.11 1.06 -0.06 -1.05 0.00 0.00 178.16 178.23 1rj4 s PHE 118 N -4.28 2.92 0.00 4.88 0.08 -0.92 -4.72 117.98 115.94 1rj4 s PHE 118 Ca -0.03 -1.20 0.00 0.00 0.12 0.00 0.00 56.93 55.82 1rj4 s PHE 118 Cb 0.14 -4.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1rj4 s PHE 118 CO 0.59 -1.64 0.88 1.17 -0.10 0.00 0.00 175.22 176.12 1rj4 n LYS 119 N 7.36 0.00 -2.78 0.44 3.00 -1.25 -4.51 118.16 120.41 1rj4 n LYS 119 Ca 0.27 0.71 -0.42 0.00 -0.00 0.00 0.00 58.31 58.86 1rj4 n LYS 119 Cb 0.50 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 34.12 1rj4 n LYS 119 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1rj4 s GLY 120 N -0.76 1.79 0.52 3.14 0.00 -1.26 -4.89 107.32 105.87 1rj4 s GLY 120 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1rj4 s GLY 120 CO 0.00 1.97 0.00 -1.26 0.00 0.00 0.00 173.10 173.81 1rj4 n SER 121 N 6.02 -8.66 -4.69 1.64 2.88 -1.26 -4.86 113.62 104.69 1rj4 n SER 121 Ca 0.09 1.12 -0.31 0.00 -1.33 0.00 0.00 58.87 58.43 1rj4 n SER 121 Cb 0.47 -4.79 0.15 0.00 -0.75 0.00 0.00 64.21 59.30 1rj4 n SER 121 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1rj4 s LYS 122 N -3.46 1.24 0.76 -1.46 -2.85 -1.26 -4.87 119.74 107.85 1rj4 s LYS 122 Ca 0.00 1.51 -0.11 0.00 -1.00 0.00 0.00 55.97 56.37 1rj4 s LYS 122 Cb 0.00 -1.76 0.05 0.00 -2.06 0.00 0.00 37.83 34.06 1rj4 s LYS 122 CO 0.00 -2.46 1.10 -1.54 0.10 0.00 0.00 175.35 172.55 1rj4 s SER 123 N -2.74 4.89 0.40 0.03 1.04 -1.26 -4.92 113.70 111.15 1rj4 s SER 123 Ca 0.66 1.25 0.28 0.00 0.48 0.00 0.00 55.95 58.63 1rj4 s SER 123 Cb -0.22 -2.02 1.39 0.00 0.10 0.00 0.00 66.02 65.27 1rj4 s SER 123 CO 0.57 -1.71 1.86 1.55 0.98 0.00 0.00 173.24 176.49 1rj4 h PRO 124 N -0.91 0.00 0.00 4.02 0.13 -1.99 -2.58 132.00 130.67 1rj4 h PRO 124 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1rj4 h PRO 124 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1rj4 h PRO 124 CO 0.61 0.00 -0.41 1.97 -0.23 0.00 0.00 178.00 179.93 1rj4 n PHE 125 N -2.54 0.00 -0.34 1.56 -1.74 -1.26 -4.88 117.46 108.26 1rj4 n PHE 125 Ca -0.00 -1.15 0.13 0.00 -0.56 0.00 0.00 57.45 55.86 1rj4 n PHE 125 Cb 0.14 -0.20 0.26 0.00 1.52 0.00 0.00 39.48 41.20 1rj4 n PHE 125 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1rj4 n SER 126 N -0.96 -0.17 -0.28 5.98 2.88 -0.97 -0.00 113.62 120.09 1rj4 n SER 126 Ca 0.16 1.67 0.14 0.00 -1.33 0.00 0.00 58.87 59.50 1rj4 n SER 126 Cb 0.73 -0.59 0.40 0.00 -0.75 0.00 0.00 64.21 64.00 1rj4 n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rj4 h ALA 127 N 1.96 1.89 -0.15 -1.46 0.00 -1.89 -0.75 119.26 118.86 1rj4 h ALA 127 Ca 0.57 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.42 1rj4 h ALA 127 Cb 1.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1rj4 h ALA 127 CO -0.94 -0.17 -0.24 -0.07 0.00 0.00 0.00 179.25 177.83 1rj4 h LEU 128 N 0.64 0.47 -0.85 0.00 3.38 -0.83 -1.71 115.31 116.42 1rj4 h LEU 128 Ca 0.48 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1rj4 h LEU 128 Cb 0.86 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1rj4 h LEU 128 CO -0.23 0.91 0.56 0.78 0.09 0.00 0.00 178.44 180.55 1rj4 h ASN 129 N 0.04 0.96 -0.77 -0.43 2.35 -1.19 -0.45 115.58 116.10 1rj4 h ASN 129 Ca 0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1rj4 h ASN 129 Cb 0.82 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1rj4 h ASN 129 CO 0.06 0.68 0.39 0.40 -1.65 0.00 0.00 177.43 177.31 1rj4 h ILE 130 N 1.13 1.24 -0.33 2.81 2.04 -1.15 -0.39 117.51 122.85 1rj4 h ILE 130 Ca 0.32 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 1rj4 h ILE 130 Cb -0.09 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1rj4 h ILE 130 CO -0.08 0.28 -0.17 0.00 0.00 0.00 0.00 178.15 178.17 1rj4 h ALA 131 N 1.20 0.46 -0.15 1.87 0.00 -0.71 0.54 119.26 122.47 1rj4 h ALA 131 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rj4 h ALA 131 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rj4 h ALA 131 CO -0.04 0.38 0.09 0.28 0.00 0.00 0.00 179.25 179.97 1rj4 h VAL 132 N 0.46 1.02 0.19 0.00 2.07 -0.89 0.40 116.25 119.51 1rj4 h VAL 132 Ca 0.07 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1rj4 h VAL 132 Cb 0.70 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1rj4 h VAL 132 CO 0.05 0.03 -0.14 -0.74 0.02 0.00 0.00 177.57 176.79 1rj4 h HIS 133 N 0.19 -0.36 -0.35 1.57 6.17 -1.00 -1.03 115.15 120.33 1rj4 h HIS 133 Ca 0.06 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.14 1rj4 h HIS 133 Cb -0.01 0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 1rj4 h HIS 133 CO -0.08 -0.22 0.22 0.93 0.71 0.00 0.00 177.93 179.49 1rj4 h GLU 134 N -0.33 0.48 -0.12 5.26 4.39 -0.81 -2.11 114.58 121.34 1rj4 h GLU 134 Ca -0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1rj4 h GLU 134 Cb 0.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1rj4 h GLU 134 CO -0.01 0.36 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.81 1rj4 h LEU 135 N 0.46 0.23 -0.69 1.33 3.38 -0.83 -2.33 115.31 116.86 1rj4 h LEU 135 Ca 0.13 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1rj4 h LEU 135 Cb -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1rj4 h LEU 135 CO -0.02 0.55 -0.42 0.28 0.09 0.00 0.00 178.44 178.91 1rj4 h SER 136 N 0.20 0.55 0.28 -0.43 0.02 -0.99 0.34 113.55 113.52 1rj4 h SER 136 Ca 0.03 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 1rj4 h SER 136 Cb 0.67 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1rj4 h SER 136 CO 0.05 0.91 -0.45 0.44 -1.14 0.00 0.00 176.83 176.63 1rj4 h ASP 137 N 0.43 0.23 -0.09 3.07 3.32 -1.08 0.68 116.42 122.98 1rj4 h ASP 137 Ca 0.04 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1rj4 h ASP 137 Cb 0.91 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1rj4 h ASP 137 CO 0.08 0.66 -0.30 0.58 -1.72 0.00 0.00 179.24 178.54 1rj4 h VAL 138 N 0.18 1.41 -0.78 -1.35 2.07 -1.21 -2.38 116.25 114.19 1rj4 h VAL 138 Ca 0.01 -1.66 0.07 0.00 0.82 0.00 0.00 66.70 65.94 1rj4 h VAL 138 Cb 0.87 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 1rj4 h VAL 138 CO 0.07 0.48 0.51 1.23 0.02 0.00 0.00 177.57 179.88 1rj4 h GLY 139 N -0.10 1.06 0.89 2.17 0.00 -0.69 -0.36 103.07 106.04 1rj4 h GLY 139 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1rj4 h GLY 139 CO 0.06 0.23 0.03 -0.09 0.00 0.00 0.00 176.54 176.77 1rj4 h ARG 140 N 0.82 0.08 -0.95 4.80 1.12 -0.74 -2.06 114.38 117.44 1rj4 h ARG 140 Ca 0.34 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.23 1rj4 h ARG 140 Cb 0.28 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.17 1rj4 h ARG 140 CO -0.12 0.17 0.62 0.00 -3.11 0.00 0.00 179.97 177.53 1rj4 h ALA 141 N 0.90 1.39 -0.33 2.80 0.00 -0.83 -2.09 119.26 121.11 1rj4 h ALA 141 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1rj4 h ALA 141 Cb 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rj4 h ALA 141 CO -0.00 0.51 -0.08 0.82 0.00 0.00 0.00 179.25 180.51 1rj4 h ILE 142 N 1.19 1.28 -0.88 0.00 2.04 -0.92 -3.17 117.51 117.05 1rj4 h ILE 142 Ca 0.38 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1rj4 h ILE 142 Cb 0.01 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1rj4 h ILE 142 CO -0.12 0.36 0.58 0.58 0.00 0.00 0.00 178.15 179.56 1rj4 h VAL 143 N 0.41 1.19 -0.54 1.67 2.07 -0.95 -2.55 116.25 117.55 1rj4 h VAL 143 Ca 0.08 -0.39 0.16 0.00 0.82 0.00 0.00 66.70 67.37 1rj4 h VAL 143 Cb 0.57 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1rj4 h VAL 143 CO 0.03 0.21 0.51 0.03 0.02 0.00 0.00 177.57 178.37 1rj4 h ARG 144 N 1.15 0.00 0.00 1.57 2.47 -1.36 0.22 114.38 118.43 1rj4 h ARG 144 Ca 0.33 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.03 1rj4 h ARG 144 Cb -0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1rj4 h ARG 144 CO -0.09 0.00 -0.13 -0.91 0.56 0.00 0.00 179.97 179.40 1rj4 h ASN 145 N 0.00 0.00 0.85 7.04 4.21 -1.58 -1.70 115.58 124.40 1rj4 h ASN 145 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 1rj4 h ASN 145 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1rj4 h ASN 145 CO -0.00 0.13 0.00 0.18 -1.29 0.00 0.00 177.43 176.45 1rj4 n LEU 146 N -4.25 0.00 0.00 1.61 4.77 0.76 -5.18 117.00 114.70 1rj4 n LEU 146 Ca -0.03 0.45 0.15 0.00 -0.03 0.00 0.00 56.01 56.55 1rj4 n LEU 146 Cb 0.21 -0.45 0.87 0.00 -2.33 0.00 0.00 43.42 41.71 1rj4 n LEU 146 CO 0.35 -0.02 1.03 0.18 -1.33 0.00 0.00 177.39 177.60