#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 1.13 -0.12 1.20 5.85 -1.97 -1.49 115.31 119.90 1rj4 h LEU 3 Ca 0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1rj4 h LEU 3 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 1rj4 h LEU 3 CO 0.00 0.84 0.01 0.58 -0.34 0.00 0.00 178.44 179.53 1rj4 h VAL 4 N 1.32 1.23 0.03 1.05 2.07 -1.95 0.17 116.25 120.17 1rj4 h VAL 4 Ca 0.35 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1rj4 h VAL 4 Cb -0.11 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1rj4 h VAL 4 CO -0.07 0.22 -0.07 -0.33 0.02 0.00 0.00 177.57 177.33 1rj4 h GLU 5 N -0.04 -0.13 -0.61 1.57 4.39 -1.96 0.28 114.58 118.08 1rj4 h GLU 5 Ca 0.04 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1rj4 h GLU 5 Cb 0.32 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1rj4 h GLU 5 CO 0.00 -0.09 0.05 1.79 -1.16 0.00 0.00 179.01 179.61 1rj4 h THR 6 N -0.14 1.26 -0.11 1.13 1.35 -1.27 -2.29 112.91 112.84 1rj4 h THR 6 Ca 0.02 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1rj4 h THR 6 Cb 0.15 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1rj4 h THR 6 CO -0.05 0.39 0.04 0.74 -0.25 0.00 0.00 175.52 176.40 1rj4 h THR 7 N 0.95 1.15 0.00 6.82 2.02 -0.42 -2.99 112.91 120.44 1rj4 h THR 7 Ca 0.18 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1rj4 h THR 7 Cb 0.48 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1rj4 h THR 7 CO 0.02 0.14 -0.13 0.00 0.37 0.00 0.00 175.52 175.91 1rj4 n LYS 9 N -4.05 0.12 -1.59 0.00 5.02 -0.87 -2.68 118.16 114.11 1rj4 n LYS 9 Ca -0.02 0.25 -0.34 0.00 -2.02 0.00 0.00 58.31 56.18 1rj4 n LYS 9 Cb 0.22 -1.68 0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1rj4 n LYS 9 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rj4 n ASN 10 N -1.90 7.09 -4.12 4.39 3.02 -0.33 -4.93 115.26 118.47 1rj4 n ASN 10 Ca 0.04 -3.79 -0.14 0.00 -0.03 0.00 0.00 54.58 50.66 1rj4 n ASN 10 Cb 0.28 -0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 38.49 1rj4 n ASN 10 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rj4 s THR 11 N -4.86 0.12 -1.95 3.41 -4.23 -1.09 -4.64 115.64 102.40 1rj4 s THR 11 Ca 0.60 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.42 1rj4 s THR 11 Cb 0.48 -2.52 0.84 0.00 1.34 0.00 0.00 72.50 72.64 1rj4 s THR 11 CO -0.07 0.00 2.18 -0.81 -0.54 0.00 0.00 174.62 175.38 1rj4 n PRO 12 N -0.37 0.96 -2.96 3.99 -0.04 -1.26 -4.39 135.00 130.92 1rj4 n PRO 12 Ca 0.02 -0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1rj4 n PRO 12 Cb 0.66 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1rj4 n PRO 12 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rj4 n ASN 13 N -0.99 -2.51 -0.12 3.54 4.05 -1.26 -5.02 115.26 112.95 1rj4 n ASN 13 Ca 0.23 -2.75 -0.05 0.00 0.45 0.00 0.00 54.58 52.45 1rj4 n ASN 13 Cb 0.14 1.02 0.01 0.00 1.23 0.00 0.00 39.78 42.18 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 5.18 -0.27 -0.53 1.20 3.20 -1.77 -0.93 116.97 123.06 1rj4 h TYR 14 Ca 0.12 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1rj4 h TYR 14 Cb 1.04 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1rj4 h TYR 14 CO 0.15 -0.19 0.10 1.96 -1.64 0.00 0.00 178.16 178.54 1rj4 h GLN 15 N -0.03 0.86 -0.33 1.82 4.20 -1.95 0.23 115.11 119.92 1rj4 h GLN 15 Ca 0.19 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1rj4 h GLN 15 Cb 0.32 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1rj4 h GLN 15 CO -0.42 0.83 0.20 1.25 -0.67 0.00 0.00 178.83 180.02 1rj4 h LEU 16 N 0.75 0.40 -0.47 1.46 5.85 -1.93 -1.74 115.31 119.63 1rj4 h LEU 16 Ca 0.16 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rj4 h LEU 16 Cb 0.38 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1rj4 h LEU 16 CO 0.01 0.33 0.28 0.00 -0.34 0.00 0.00 178.44 178.72 1rj4 h LEU 18 N 0.62 0.08 -1.08 0.00 5.85 -0.74 -1.01 115.31 119.03 1rj4 h LEU 18 Ca 0.17 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1rj4 h LEU 18 Cb 0.01 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1rj4 h LEU 18 CO -0.03 0.17 0.35 0.11 -0.34 0.00 0.00 178.44 178.71 1rj4 h LYS 19 N -0.02 1.00 0.06 1.25 1.57 -1.29 -0.96 116.57 118.18 1rj4 h LYS 19 Ca 0.02 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1rj4 h LYS 19 Cb 0.12 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1rj4 h LYS 19 CO -0.00 0.76 -0.03 1.15 -0.57 0.00 0.00 179.45 180.76 1rj4 h THR 20 N 1.00 1.23 -0.49 -0.16 2.02 -1.12 -2.40 112.91 112.98 1rj4 h THR 20 Ca 0.25 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1rj4 h THR 20 Cb 0.08 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1rj4 h THR 20 CO -0.03 0.26 0.12 -0.07 0.37 0.00 0.00 175.52 176.16 1rj4 h LEU 21 N -0.55 0.75 -1.26 2.58 3.38 -1.13 -2.83 115.31 116.25 1rj4 h LEU 21 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1rj4 h LEU 21 Cb 0.48 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1rj4 h LEU 21 CO 0.01 0.79 0.00 -0.07 0.09 0.00 0.00 178.44 179.26 1rj4 h LEU 22 N 0.68 0.00 -0.49 1.67 3.38 -1.23 -2.32 115.31 116.99 1rj4 h LEU 22 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rj4 h LEU 22 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rj4 h LEU 22 CO 0.00 0.00 0.00 -1.28 0.09 0.00 0.00 178.44 177.25 1rj4 h SER 23 N 0.00 0.00 -3.19 -0.43 0.87 -1.16 -3.44 113.55 106.19 1rj4 h SER 23 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 1rj4 h SER 23 Cb 0.40 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.23 1rj4 h SER 23 CO 0.00 0.00 -0.51 -0.62 -0.53 0.00 0.00 176.83 175.17 1rj4 s ASP 24 N -5.17 6.05 0.54 6.23 2.15 -0.87 -5.00 116.67 120.60 1rj4 s ASP 24 Ca 0.06 0.22 0.23 0.00 0.43 0.00 0.00 52.55 53.48 1rj4 s ASP 24 Cb 0.09 -2.04 1.44 0.00 -0.30 0.00 0.00 42.92 42.11 1rj4 s ASP 24 CO 0.56 0.21 2.11 0.11 -0.17 0.00 0.00 175.17 177.99 1rj4 h LYS 25 N 6.41 0.00 0.00 4.34 1.57 -1.85 -2.07 116.57 124.97 1rj4 h LYS 25 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1rj4 h LYS 25 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rj4 h LYS 25 CO 0.72 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 180.14 1rj4 n ARG 26 N -4.28 0.10 0.04 3.15 1.74 -1.26 -3.40 116.66 112.75 1rj4 n ARG 26 Ca 0.01 0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 1rj4 n ARG 26 Cb 0.28 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.32 1rj4 n ARG 26 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rj4 h SER 27 N 0.00 0.47 -0.81 0.55 4.64 -1.58 0.11 113.55 116.93 1rj4 h SER 27 Ca 0.00 -0.25 0.19 0.00 -0.47 0.00 0.00 61.79 61.26 1rj4 h SER 27 Cb 0.28 -0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 62.11 1rj4 h SER 27 CO 0.00 0.92 0.26 0.00 -0.87 0.00 0.00 176.83 177.14 1rj4 h ALA 28 N 1.09 1.15 0.00 5.18 0.00 -1.76 -3.25 119.26 121.67 1rj4 h ALA 28 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rj4 h ALA 28 Cb 1.05 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rj4 h ALA 28 CO 0.09 -0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.25 1rj4 n THR 29 N -5.12 0.00 -1.41 0.00 -2.24 -1.21 -5.10 114.28 99.20 1rj4 n THR 29 Ca 0.18 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 1rj4 n THR 29 Cb 0.54 1.00 0.10 0.00 -2.10 0.00 0.00 70.33 69.88 1rj4 n THR 29 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rj4 s GLY 30 N -0.85 2.45 0.15 3.38 0.00 0.38 -5.06 107.32 107.77 1rj4 s GLY 30 Ca 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 1rj4 s GLY 30 CO 0.00 1.41 0.20 2.09 0.00 0.00 0.00 173.10 176.80 1rj4 n ASP 31 N -2.67 0.16 -0.03 1.64 5.68 -1.26 -4.83 116.55 115.24 1rj4 n ASP 31 Ca 0.14 -1.16 -0.09 0.00 -0.50 0.00 0.00 54.79 53.18 1rj4 n ASP 31 Cb 0.50 -0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 40.30 1rj4 n ASP 31 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1rj4 h ILE 32 N -0.68 0.95 -1.00 2.12 2.04 -1.99 -1.49 117.51 117.47 1rj4 h ILE 32 Ca -0.07 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.84 1rj4 h ILE 32 Cb 0.22 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1rj4 h ILE 32 CO 0.06 0.02 0.64 0.74 0.00 0.00 0.00 178.15 179.62 1rj4 h THR 33 N 0.13 1.02 -0.43 -0.27 2.02 -1.95 -0.30 112.91 113.14 1rj4 h THR 33 Ca 0.07 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1rj4 h THR 33 Cb 0.05 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1rj4 h THR 33 CO -0.08 0.20 -0.07 0.74 0.37 0.00 0.00 175.52 176.68 1rj4 h THR 34 N 1.10 1.25 -0.43 3.16 2.02 -1.77 -1.15 112.91 117.08 1rj4 h THR 34 Ca 0.46 -1.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 1rj4 h THR 34 Cb 0.29 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1rj4 h THR 34 CO -0.21 0.37 0.03 -0.07 0.37 0.00 0.00 175.52 176.02 1rj4 h LEU 35 N 0.68 0.64 -0.08 2.58 3.38 -0.08 -0.58 115.31 121.84 1rj4 h LEU 35 Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rj4 h LEU 35 Cb 0.52 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rj4 h LEU 35 CO 0.03 0.69 0.03 0.00 0.09 0.00 0.00 178.44 179.28 1rj4 h ALA 36 N 1.39 0.11 -0.71 1.53 0.00 -0.48 -2.08 119.26 119.02 1rj4 h ALA 36 Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rj4 h ALA 36 Cb 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1rj4 h ALA 36 CO 0.01 -0.30 0.47 -0.07 0.00 0.00 0.00 179.25 179.36 1rj4 h LEU 37 N -0.02 0.76 -0.64 0.00 3.38 -0.79 -0.65 115.31 117.34 1rj4 h LEU 37 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1rj4 h LEU 37 Cb 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1rj4 h LEU 37 CO -0.00 0.53 0.31 0.40 0.09 0.00 0.00 178.44 179.76 1rj4 h ILE 38 N 0.88 1.22 -0.73 1.22 2.04 -0.86 -1.41 117.51 119.87 1rj4 h ILE 38 Ca 0.28 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1rj4 h ILE 38 Cb 0.02 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1rj4 h ILE 38 CO -0.08 0.25 0.30 0.24 0.00 0.00 0.00 178.15 178.86 1rj4 h MET 39 N 0.88 1.09 -0.64 2.37 2.86 -0.46 -1.69 114.93 119.34 1rj4 h MET 39 Ca 0.22 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1rj4 h MET 39 Cb 0.12 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1rj4 h MET 39 CO -0.03 0.89 0.16 0.28 1.06 0.00 0.00 176.91 179.27 1rj4 h VAL 40 N 1.05 1.25 -0.39 -2.22 2.07 -1.00 -0.39 116.25 116.62 1rj4 h VAL 40 Ca 0.24 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1rj4 h VAL 40 Cb 0.21 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1rj4 h VAL 40 CO -0.02 0.34 0.02 0.44 0.02 0.00 0.00 177.57 178.38 1rj4 h ASP 41 N 0.96 0.57 -0.14 0.57 3.32 -0.96 0.62 116.42 121.36 1rj4 h ASP 41 Ca 0.20 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1rj4 h ASP 41 Cb 0.34 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1rj4 h ASP 41 CO -0.00 0.63 -0.38 0.00 -1.72 0.00 0.00 179.24 177.77 1rj4 h ALA 42 N 1.45 0.80 -0.47 3.45 0.00 -0.28 -2.00 119.26 122.21 1rj4 h ALA 42 Ca 0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1rj4 h ALA 42 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1rj4 h ALA 42 CO 0.01 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.61 1rj4 h ILE 43 N 0.55 1.27 -0.82 0.00 2.04 -0.54 -2.50 117.51 117.51 1rj4 h ILE 43 Ca 0.05 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1rj4 h ILE 43 Cb 0.90 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1rj4 h ILE 43 CO 0.08 0.43 0.51 0.50 0.00 0.00 0.00 178.15 179.67 1rj4 h LYS 44 N 0.75 0.92 -0.30 2.37 3.64 -0.73 0.88 116.57 124.10 1rj4 h LYS 44 Ca 0.12 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1rj4 h LYS 44 Cb 0.67 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1rj4 h LYS 44 CO 0.05 0.61 -0.04 0.00 -2.27 0.00 0.00 179.45 177.80 1rj4 h ALA 45 N 1.38 0.41 -0.53 5.00 0.00 -1.24 0.52 119.26 124.80 1rj4 h ALA 45 Ca 0.35 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1rj4 h ALA 45 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1rj4 h ALA 45 CO -0.16 0.21 -0.09 0.87 0.00 0.00 0.00 179.25 180.08 1rj4 h LYS 46 N 0.34 0.99 -0.52 0.00 1.79 -1.15 -0.69 116.57 117.33 1rj4 h LYS 46 Ca 0.08 -0.35 -0.08 0.00 -2.18 0.00 0.00 60.65 58.12 1rj4 h LYS 46 Cb 0.51 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1rj4 h LYS 46 CO 0.02 1.02 0.02 0.00 -1.08 0.00 0.00 179.45 179.44 1rj4 h ALA 47 N 1.00 0.70 -0.68 3.86 0.00 -0.70 0.70 119.26 124.13 1rj4 h ALA 47 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1rj4 h ALA 47 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1rj4 h ALA 47 CO 0.04 0.49 0.36 -0.91 0.00 0.00 0.00 179.25 179.24 1rj4 h ASN 48 N 0.77 0.86 -0.91 0.00 2.35 -0.79 -0.80 115.58 117.07 1rj4 h ASN 48 Ca 0.15 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1rj4 h ASN 48 Cb 0.50 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1rj4 h ASN 48 CO 0.02 0.72 0.53 -0.61 -1.65 0.00 0.00 177.43 176.44 1rj4 h GLN 49 N 0.94 1.26 -0.43 0.81 4.15 -0.66 -2.04 115.11 119.14 1rj4 h GLN 49 Ca 0.24 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 1rj4 h GLN 49 Cb 0.06 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1rj4 h GLN 49 CO -0.04 0.90 -0.18 0.00 -1.93 0.00 0.00 178.83 177.58 1rj4 h ALA 50 N 1.29 0.87 -0.23 3.38 0.00 -0.18 -2.13 119.26 122.26 1rj4 h ALA 50 Ca 0.32 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1rj4 h ALA 50 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1rj4 h ALA 50 CO -0.06 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.65 1rj4 h ALA 51 N 1.06 1.27 -0.37 0.00 0.00 -0.67 -0.41 119.26 120.14 1rj4 h ALA 51 Ca 0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1rj4 h ALA 51 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1rj4 h ALA 51 CO 0.05 0.48 -0.28 0.28 0.00 0.00 0.00 179.25 179.78 1rj4 h VAL 52 N 0.37 1.28 -0.16 0.00 2.07 -1.24 -1.91 116.25 116.65 1rj4 h VAL 52 Ca 0.06 -1.44 -0.10 0.00 0.82 0.00 0.00 66.70 66.05 1rj4 h VAL 52 Cb 0.52 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1rj4 h VAL 52 CO 0.03 0.48 -0.34 0.74 0.02 0.00 0.00 177.57 178.50 1rj4 h THR 53 N 0.64 1.28 -0.18 2.57 2.02 -1.12 -1.87 112.91 116.26 1rj4 h THR 53 Ca 0.07 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.80 1rj4 h THR 53 Cb 0.85 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1rj4 h THR 53 CO 0.07 0.42 -0.12 0.40 0.37 0.00 0.00 175.52 176.67 1rj4 h ILE 54 N 0.28 1.32 0.42 3.11 2.04 -0.92 -1.94 117.51 121.82 1rj4 h ILE 54 Ca 0.03 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1rj4 h ILE 54 Cb 0.74 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1rj4 h ILE 54 CO 0.06 0.37 -0.31 -1.28 0.00 0.00 0.00 178.15 176.98 1rj4 h SER 55 N 0.06 -0.81 -0.89 1.72 0.87 -1.13 -1.88 113.55 111.49 1rj4 h SER 55 Ca 0.04 0.06 0.21 0.00 -1.23 0.00 0.00 61.79 60.86 1rj4 h SER 55 Cb 0.63 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.78 1rj4 h SER 55 CO 0.03 -0.47 0.60 0.11 -0.53 0.00 0.00 176.83 176.57 1rj4 h LYS 56 N -0.72 0.34 -0.01 2.24 1.57 -1.33 0.15 116.57 118.80 1rj4 h LYS 56 Ca -0.04 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 1rj4 h LYS 56 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1rj4 h LYS 56 CO 0.01 0.22 -0.83 -0.07 -0.57 0.00 0.00 179.45 178.21 1rj4 h LEU 57 N 0.35 0.29 -1.26 2.94 3.38 -1.09 -1.47 115.31 118.44 1rj4 h LEU 57 Ca 0.46 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1rj4 h LEU 57 Cb 1.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1rj4 h LEU 57 CO -0.16 1.00 -0.36 0.03 0.09 0.00 0.00 178.44 179.04 1rj4 h ARG 58 N 0.14 0.00 0.04 1.13 3.08 0.09 -3.23 114.38 115.63 1rj4 h ARG 58 Ca -0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 1rj4 h ARG 58 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 1rj4 h ARG 58 CO 0.13 0.36 -0.99 0.45 -1.07 0.00 0.00 179.97 178.85 1rj4 h HIS 59 N 0.00 0.15 0.00 3.04 3.86 -1.28 -3.37 115.15 117.55 1rj4 h HIS 59 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1rj4 h HIS 59 Cb 0.67 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1rj4 h HIS 59 CO 0.00 1.39 0.00 -1.13 0.86 0.00 0.00 177.93 179.05 1rj4 n SER 60 N -4.31 0.00 -3.26 2.45 3.41 -0.56 -4.70 113.62 106.66 1rj4 n SER 60 Ca -0.24 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.15 1rj4 n SER 60 Cb 0.70 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.68 1rj4 n SER 60 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rj4 n ASN 61 N 0.79 -6.39 -4.90 4.04 3.02 -1.26 -4.96 115.26 105.60 1rj4 n ASN 61 Ca 0.00 0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.48 1rj4 n ASN 61 Cb 0.00 -2.65 0.02 0.00 -0.61 0.00 0.00 39.78 36.54 1rj4 n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rj4 s PRO 62 N -2.12 3.27 1.01 3.52 0.04 -1.24 -5.04 135.00 134.44 1rj4 s PRO 62 Ca 0.25 0.30 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 1rj4 s PRO 62 Cb -0.03 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 32.42 1rj4 s PRO 62 CO 0.67 -0.55 0.81 -2.30 0.04 0.00 0.00 177.00 175.67 1rj4 n PRO 63 N -2.57 -1.00 0.13 0.56 -0.02 -1.26 -4.83 135.00 126.01 1rj4 n PRO 63 Ca 0.04 -0.25 0.03 0.00 -2.02 0.00 0.00 63.50 61.30 1rj4 n PRO 63 Cb 0.56 -2.13 0.40 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.02 1.51 0.00 3.55 0.00 -2.02 -2.40 119.26 117.88 1rj4 h ALA 64 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1rj4 h ALA 64 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rj4 h ALA 64 CO 0.41 0.35 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1rj4 h ALA 65 N 1.66 1.00 0.00 0.00 0.00 -2.04 -2.81 119.26 117.07 1rj4 h ALA 65 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rj4 h ALA 65 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rj4 h ALA 65 CO 0.02 0.00 -1.25 0.91 0.00 0.00 0.00 179.25 178.93 1rj4 n TRP 66 N -2.93 0.01 0.01 0.00 8.01 -0.91 -4.50 117.44 117.14 1rj4 n TRP 66 Ca -0.01 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.08 1rj4 n TRP 66 Cb 0.17 -0.15 -0.04 0.00 -2.01 0.00 0.00 31.31 29.28 1rj4 n TRP 66 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1rj4 h LYS 67 N 0.00 -0.08 -0.07 -0.99 3.64 -1.48 0.13 116.57 117.72 1rj4 h LYS 67 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1rj4 h LYS 67 Cb 0.64 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1rj4 h LYS 67 CO 0.00 -0.05 -0.06 0.78 -2.27 0.00 0.00 179.45 177.84 1rj4 h GLY 68 N -0.08 0.18 0.80 5.01 0.00 -1.81 -2.35 103.07 104.82 1rj4 h GLY 68 Ca 0.06 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.28 1rj4 h GLY 68 CO -0.13 0.16 0.60 -2.55 0.00 0.00 0.00 176.54 174.62 1rj4 h PRO 69 N -0.26 1.01 -0.27 4.80 0.11 -1.76 -1.45 132.00 134.18 1rj4 h PRO 69 Ca 0.01 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1rj4 h PRO 69 Cb 0.56 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1rj4 h PRO 69 CO 0.02 0.67 0.03 -0.07 -0.21 0.00 0.00 178.00 178.43 1rj4 h LEU 70 N 1.04 0.44 -0.73 2.35 3.38 -0.69 -0.22 115.31 120.88 1rj4 h LEU 70 Ca 0.40 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1rj4 h LEU 70 Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1rj4 h LEU 70 CO -0.16 0.60 0.29 0.11 0.09 0.00 0.00 178.44 179.37 1rj4 h LYS 71 N 0.25 1.09 -0.13 1.13 1.57 -0.99 -1.78 116.57 117.72 1rj4 h LYS 71 Ca 0.08 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 1rj4 h LYS 71 Cb 0.36 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1rj4 h LYS 71 CO 0.01 0.89 -0.70 -0.91 -0.57 0.00 0.00 179.45 178.18 1rj4 h ASN 72 N 1.04 0.64 -0.40 0.86 2.35 -1.20 -2.42 115.58 116.44 1rj4 h ASN 72 Ca 0.24 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1rj4 h ASN 72 Cb 0.21 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1rj4 h ASN 72 CO -0.02 1.15 0.23 0.00 -1.65 0.00 0.00 177.43 177.14 1rj4 h ALA 74 N 1.66 1.25 -0.52 0.00 0.00 -0.84 0.30 119.26 121.11 1rj4 h ALA 74 Ca 0.15 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rj4 h ALA 74 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1rj4 h ALA 74 CO -0.02 0.59 -0.07 0.74 0.00 0.00 0.00 179.25 180.48 1rj4 h PHE 75 N 1.06 1.07 -0.17 0.00 0.04 -0.93 -1.50 116.94 116.50 1rj4 h PHE 75 Ca 0.26 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1rj4 h PHE 75 Cb 0.08 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1rj4 h PHE 75 CO 0.01 1.00 0.03 0.77 -0.60 0.00 0.00 178.31 179.52 1rj4 h SER 76 N 0.83 -0.00 0.94 2.17 0.02 0.07 -1.42 113.55 116.16 1rj4 h SER 76 Ca 0.14 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1rj4 h SER 76 Cb 0.62 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1rj4 h SER 76 CO 0.04 0.03 -0.07 1.88 -1.14 0.00 0.00 176.83 177.57 1rj4 h TYR 77 N 0.10 0.00 -0.44 3.45 0.05 -0.95 -1.94 116.97 117.23 1rj4 h TYR 77 Ca 0.08 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 1rj4 h TYR 77 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1rj4 h TYR 77 CO -0.14 0.07 -0.15 -0.22 -1.05 0.00 0.00 178.16 176.67 1rj4 h LYS 78 N 0.00 0.89 -0.41 4.88 3.64 -0.25 -1.30 116.57 124.02 1rj4 h LYS 78 Ca -0.00 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1rj4 h LYS 78 Cb 0.55 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1rj4 h LYS 78 CO 0.01 1.01 0.11 0.28 -2.27 0.00 0.00 179.45 178.59 1rj4 h VAL 79 N 0.72 1.23 0.06 2.00 2.07 -0.99 0.16 116.25 121.50 1rj4 h VAL 79 Ca 0.11 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1rj4 h VAL 79 Cb 0.71 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1rj4 h VAL 79 CO 0.05 0.27 -0.10 0.40 0.02 0.00 0.00 177.57 178.21 1rj4 h ILE 80 N 0.52 0.77 -0.01 4.57 2.04 -1.19 -0.44 117.51 123.77 1rj4 h ILE 80 Ca 0.13 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.79 1rj4 h ILE 80 Cb 0.30 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1rj4 h ILE 80 CO -0.00 0.00 -0.87 -0.07 0.00 0.00 0.00 178.15 177.21 1rj4 h LEU 81 N -0.20 0.32 -0.15 1.44 3.38 -1.15 -1.69 115.31 117.26 1rj4 h LEU 81 Ca 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1rj4 h LEU 81 Cb 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1rj4 h LEU 81 CO -0.05 1.04 -0.92 0.35 0.09 0.00 0.00 178.44 178.95 1rj4 n THR 82 N -3.70 0.00 0.10 0.22 -2.24 0.56 -4.50 114.28 104.72 1rj4 n THR 82 Ca -0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1rj4 n THR 82 Cb 0.80 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 -1.27 3.00 0.03 6.98 0.00 -0.26 -4.77 120.51 124.21 1rj4 n ALA 83 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1rj4 n ALA 83 Cb 0.35 0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 0.01 -0.36 0.00 0.02 -1.29 -1.04 113.55 110.90 1rj4 h SER 84 Ca 0.00 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1rj4 h SER 84 Cb 0.02 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rj4 h SER 84 CO 0.00 0.07 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.28 1rj4 h LEU 85 N -0.05 1.00 -0.72 5.07 3.38 -1.56 -1.04 115.31 121.39 1rj4 h LEU 85 Ca 0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1rj4 h LEU 85 Cb 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1rj4 h LEU 85 CO -0.00 1.27 0.38 -0.65 0.09 0.00 0.00 178.44 179.53 1rj4 h PRO 86 N 0.75 1.01 -0.66 1.13 0.11 -1.78 -0.03 132.00 132.53 1rj4 h PRO 86 Ca 0.05 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1rj4 h PRO 86 Cb 1.01 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 1rj4 h PRO 86 CO 0.10 0.76 0.24 1.49 -0.21 0.00 0.00 178.00 180.38 1rj4 h GLU 87 N 0.99 0.99 -0.15 1.05 4.81 -1.08 -1.17 114.58 120.01 1rj4 h GLU 87 Ca 0.25 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1rj4 h GLU 87 Cb 0.06 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1rj4 h GLU 87 CO -0.04 0.83 -0.08 0.00 -0.73 0.00 0.00 179.01 178.99 1rj4 h ALA 88 N 1.29 0.22 -0.35 2.92 0.00 -0.57 -1.45 119.26 121.32 1rj4 h ALA 88 Ca 0.22 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1rj4 h ALA 88 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1rj4 h ALA 88 CO -0.01 0.03 0.10 0.82 0.00 0.00 0.00 179.25 180.18 1rj4 h ILE 89 N -0.01 0.86 -0.78 0.00 2.04 -0.89 0.66 117.51 119.38 1rj4 h ILE 89 Ca 0.03 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1rj4 h ILE 89 Cb 0.56 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1rj4 h ILE 89 CO 0.02 0.04 0.46 -0.08 0.00 0.00 0.00 178.15 178.60 1rj4 h GLU 90 N 0.23 0.80 -0.49 2.37 4.57 -1.21 0.14 114.58 120.99 1rj4 h GLU 90 Ca 0.16 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1rj4 h GLU 90 Cb 0.17 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1rj4 h GLU 90 CO -0.19 0.53 0.06 0.00 -1.18 0.00 0.00 179.01 178.23 1rj4 h ALA 91 N 1.39 1.19 -0.05 2.92 0.00 -0.19 0.39 119.26 124.92 1rj4 h ALA 91 Ca 0.35 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 1rj4 h ALA 91 Cb 0.22 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rj4 h ALA 91 CO -0.19 0.54 -0.95 -0.07 0.00 0.00 0.00 179.25 178.57 1rj4 h LEU 92 N 0.73 0.93 0.00 0.00 3.38 0.14 -3.12 115.31 117.37 1rj4 h LEU 92 Ca 0.15 -0.70 -0.23 0.00 0.09 0.00 0.00 57.88 57.19 1rj4 h LEU 92 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1rj4 h LEU 92 CO 0.01 1.50 -1.22 0.71 0.09 0.00 0.00 178.44 179.53 1rj4 h THR 93 N 0.44 1.34 0.00 0.22 1.35 -0.71 -3.45 112.91 112.12 1rj4 h THR 93 Ca -0.10 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.68 1rj4 h THR 93 Cb 1.60 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 1rj4 h THR 93 CO 0.19 0.77 -0.15 0.29 -0.25 0.00 0.00 175.52 176.37 1rj4 n LYS 94 N -3.23 0.00 0.00 4.72 5.02 0.07 -5.09 118.16 119.65 1rj4 n LYS 94 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1rj4 n LYS 94 Cb 0.96 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1rj4 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rj4 n GLY 95 N 2.94 0.45 3.77 0.72 0.00 -0.82 -5.00 105.19 107.24 1rj4 n GLY 95 Ca 0.00 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1rj4 n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rj4 s ASP 96 N -1.10 6.70 0.55 1.61 -1.08 -1.24 -4.76 116.67 117.36 1rj4 s ASP 96 Ca 0.00 0.83 0.27 0.00 -0.52 0.00 0.00 52.55 53.14 1rj4 s ASP 96 Cb 0.00 -2.26 1.58 0.00 -1.46 0.00 0.00 42.92 40.79 1rj4 s ASP 96 CO 0.00 0.15 2.15 -0.65 0.52 0.00 0.00 175.17 177.34 1rj4 h PRO 97 N 5.86 0.00 -0.93 4.34 0.11 -1.92 -2.64 132.00 136.82 1rj4 h PRO 97 Ca -0.45 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.80 1rj4 h PRO 97 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1rj4 h PRO 97 CO 0.70 0.07 0.59 0.87 -0.21 0.00 0.00 178.00 180.02 1rj4 h LYS 98 N 0.00 0.74 0.00 1.05 1.57 -1.93 0.33 116.57 118.33 1rj4 h LYS 98 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1rj4 h LYS 98 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1rj4 h LYS 98 CO 0.01 0.49 -0.19 0.74 -0.57 0.00 0.00 179.45 179.93 1rj4 h PHE 99 N 0.76 0.00 -0.13 -1.35 0.04 -1.85 -1.80 116.94 112.61 1rj4 h PHE 99 Ca 0.48 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 61.06 1rj4 h PHE 99 Cb 0.71 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 1rj4 h PHE 99 CO -0.00 0.19 -0.70 0.00 -0.60 0.00 0.00 178.31 177.20 1rj4 h ALA 100 N 1.81 0.54 -0.51 2.45 0.00 -0.49 -0.69 119.26 122.37 1rj4 h ALA 100 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1rj4 h ALA 100 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1rj4 h ALA 100 CO 0.02 0.72 0.32 1.49 0.00 0.00 0.00 179.25 181.81 1rj4 h GLU 101 N 0.39 0.68 -0.27 0.00 4.81 -0.87 -0.65 114.58 118.67 1rj4 h GLU 101 Ca -0.03 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1rj4 h GLU 101 Cb 1.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1rj4 h GLU 101 CO 0.13 0.48 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.39 1rj4 h ASP 102 N 0.69 0.39 0.08 1.04 3.32 -1.10 -0.95 116.42 119.89 1rj4 h ASP 102 Ca 0.18 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 1rj4 h ASP 102 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1rj4 h ASP 102 CO -0.04 0.50 -0.50 1.23 -1.72 0.00 0.00 179.24 178.71 1rj4 h GLY 103 N 0.80 0.52 1.30 2.75 0.00 -0.53 -1.34 103.07 106.57 1rj4 h GLY 103 Ca 0.08 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1rj4 h GLY 103 CO 0.02 0.52 -0.44 -0.33 0.00 0.00 0.00 176.54 176.30 1rj4 h MET 104 N 0.38 0.75 -0.45 4.80 2.86 -0.44 -0.32 114.93 122.50 1rj4 h MET 104 Ca 0.02 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.14 1rj4 h MET 104 Cb 1.02 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1rj4 h MET 104 CO 0.09 1.04 -0.12 0.28 1.06 0.00 0.00 176.91 179.27 1rj4 h VAL 105 N 0.61 1.26 -0.40 -2.22 2.07 -1.16 -1.34 116.25 115.06 1rj4 h VAL 105 Ca 0.04 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.22 1rj4 h VAL 105 Cb 1.00 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1rj4 h VAL 105 CO 0.10 0.41 -0.29 1.23 0.02 0.00 0.00 177.57 179.04 1rj4 h GLY 106 N 0.97 0.95 1.39 2.17 0.00 -0.95 -0.96 103.07 106.65 1rj4 h GLY 106 Ca 0.12 -0.89 -0.20 0.00 0.00 0.00 0.00 47.33 46.37 1rj4 h GLY 106 CO 0.04 0.81 -0.72 1.48 0.00 0.00 0.00 176.54 178.14 1rj4 h SER 107 N 0.74 0.71 -0.25 0.19 4.64 -0.90 -1.88 113.55 116.80 1rj4 h SER 107 Ca 0.08 -0.45 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1rj4 h SER 107 Cb 0.85 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1rj4 h SER 107 CO 0.07 1.21 0.14 -1.28 -0.87 0.00 0.00 176.83 176.11 1rj4 h SER 108 N 0.42 0.22 -0.45 4.97 0.87 -1.21 -1.29 113.55 117.07 1rj4 h SER 108 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1rj4 h SER 108 Cb 1.32 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1rj4 h SER 108 CO 0.14 0.16 0.30 1.23 -0.53 0.00 0.00 176.83 178.13 1rj4 h GLY 109 N 0.29 0.63 1.97 5.77 0.00 -1.03 -1.91 103.07 108.80 1rj4 h GLY 109 Ca 0.10 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1rj4 h GLY 109 CO -0.05 0.23 -0.52 -0.55 0.00 0.00 0.00 176.54 175.65 1rj4 h ASP 110 N 0.61 0.03 -0.37 0.19 3.32 -1.25 0.11 116.42 119.05 1rj4 h ASP 110 Ca 0.16 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1rj4 h ASP 110 Cb -0.07 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1rj4 h ASP 110 CO -0.04 0.55 -0.05 0.00 -1.72 0.00 0.00 179.24 177.98 1rj4 h ALA 111 N 1.45 0.51 -0.48 3.45 0.00 -1.07 -2.08 119.26 121.04 1rj4 h ALA 111 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1rj4 h ALA 111 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1rj4 h ALA 111 CO 0.07 0.33 -0.14 1.96 0.00 0.00 0.00 179.25 181.47 1rj4 h GLN 112 N 0.50 0.92 -0.50 0.00 4.20 -1.07 -2.65 115.11 116.50 1rj4 h GLN 112 Ca 0.10 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.50 1rj4 h GLN 112 Cb 0.55 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1rj4 h GLN 112 CO 0.03 0.99 0.29 1.49 -0.67 0.00 0.00 178.83 180.96 1rj4 h GLU 113 N 0.81 0.55 0.33 1.46 4.81 -0.66 -0.64 114.58 121.25 1rj4 h GLU 113 Ca 0.13 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1rj4 h GLU 113 Cb 0.67 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1rj4 h GLU 113 CO 0.05 0.37 -0.21 0.00 -0.73 0.00 0.00 179.01 178.48 1rj4 h GLU 115 N -0.53 0.93 0.00 0.00 4.57 -1.34 -0.67 114.58 117.54 1rj4 h GLU 115 Ca -0.03 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1rj4 h GLU 115 Cb 0.44 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1rj4 h GLU 115 CO 0.03 0.61 -0.23 0.93 -1.18 0.00 0.00 179.01 179.17 1rj4 h GLU 116 N 0.96 0.00 0.00 1.92 5.08 -0.58 -2.25 114.58 119.71 1rj4 h GLU 116 Ca 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1rj4 h GLU 116 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1rj4 h GLU 116 CO -0.28 0.23 -0.00 1.88 -1.00 0.00 0.00 179.01 179.84 1rj4 h TYR 117 N 0.00 0.00 -0.33 4.33 0.05 -0.51 -1.50 116.97 119.01 1rj4 h TYR 117 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rj4 h TYR 117 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1rj4 h TYR 117 CO 0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.30 1rj4 n PHE 118 N -4.08 0.51 -1.67 4.88 3.72 -0.84 -4.80 117.46 115.18 1rj4 n PHE 118 Ca -0.03 -0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 56.71 1rj4 n PHE 118 Cb 0.09 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1rj4 n PHE 118 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1rj4 n LYS 119 N 0.47 2.85 0.00 -1.08 4.81 -0.57 -1.71 118.16 122.94 1rj4 n LYS 119 Ca 0.12 1.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.60 1rj4 n LYS 119 Cb 0.33 -2.99 0.00 0.00 0.02 0.00 0.00 35.03 32.40 1rj4 n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rj4 n GLY 120 N 4.48 0.33 3.43 3.14 0.00 -1.26 -5.05 105.19 110.26 1rj4 n GLY 120 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1rj4 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rj4 s SER 121 N -2.08 2.23 0.30 1.61 0.01 -0.69 -5.13 113.70 109.96 1rj4 s SER 121 Ca 0.00 -1.59 -0.28 0.00 1.31 0.00 0.00 55.95 55.39 1rj4 s SER 121 Cb 0.00 0.38 -0.09 0.00 0.21 0.00 0.00 66.02 66.52 1rj4 s SER 121 CO 0.00 -0.88 1.04 -0.75 0.41 0.00 0.00 173.24 173.07 1rj4 s LYS 122 N -3.76 4.57 -0.45 12.44 2.20 -1.26 -4.97 119.74 128.51 1rj4 s LYS 122 Ca 0.30 1.63 -0.13 0.00 -0.36 0.00 0.00 55.97 57.41 1rj4 s LYS 122 Cb 0.04 -3.03 0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1rj4 s LYS 122 CO 0.16 0.20 0.34 0.45 -0.36 0.00 0.00 175.35 176.14 1rj4 s SER 123 N -1.17 5.96 0.30 1.43 0.15 -1.26 -4.98 113.70 114.13 1rj4 s SER 123 Ca 0.47 -1.35 0.05 0.00 0.70 0.00 0.00 55.95 55.82 1rj4 s SER 123 Cb -0.27 -2.11 0.78 0.00 -1.71 0.00 0.00 66.02 62.71 1rj4 s SER 123 CO 0.35 -0.59 1.65 -0.65 1.20 0.00 0.00 173.24 175.20 1rj4 h PRO 124 N 8.62 0.23 -0.87 5.44 0.11 -1.97 -2.88 132.00 140.67 1rj4 h PRO 124 Ca -0.26 -0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.41 1rj4 h PRO 124 Cb 1.10 -0.05 -0.41 0.00 0.11 0.00 0.00 31.00 31.75 1rj4 h PRO 124 CO 0.82 0.15 -0.99 1.97 -0.21 0.00 0.00 178.00 179.75 1rj4 n PHE 125 N -5.19 2.04 -0.26 0.65 1.16 -1.26 -4.89 117.46 109.71 1rj4 n PHE 125 Ca 0.23 -2.52 0.07 0.00 -1.87 0.00 0.00 57.45 53.36 1rj4 n PHE 125 Cb 0.74 -0.26 0.21 0.00 -1.61 0.00 0.00 39.48 38.55 1rj4 n PHE 125 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1rj4 h SER 126 N 2.59 0.20 -0.40 5.98 0.87 -1.94 -1.51 113.55 119.35 1rj4 h SER 126 Ca 0.09 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1rj4 h SER 126 Cb 1.24 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 1rj4 h SER 126 CO 0.54 0.04 0.24 0.00 -0.53 0.00 0.00 176.83 177.11 1rj4 h ALA 127 N 1.60 1.64 -0.21 6.23 0.00 -1.90 -0.87 119.26 125.75 1rj4 h ALA 127 Ca 0.44 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1rj4 h ALA 127 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rj4 h ALA 127 CO -0.46 0.31 -0.47 -0.07 0.00 0.00 0.00 179.25 178.56 1rj4 h LEU 128 N 0.57 0.77 -0.74 0.00 3.38 -1.70 -1.14 115.31 116.45 1rj4 h LEU 128 Ca 0.15 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1rj4 h LEU 128 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1rj4 h LEU 128 CO -0.03 1.19 0.34 0.78 0.09 0.00 0.00 178.44 180.81 1rj4 h ASN 129 N 0.38 0.99 -0.39 -0.43 2.35 -1.05 -0.80 115.58 116.63 1rj4 h ASN 129 Ca 0.00 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1rj4 h ASN 129 Cb 1.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1rj4 h ASN 129 CO 0.10 0.86 0.10 0.40 -1.65 0.00 0.00 177.43 177.24 1rj4 h ILE 130 N 1.05 1.22 -0.82 2.81 2.04 -1.16 -1.95 117.51 120.71 1rj4 h ILE 130 Ca 0.25 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1rj4 h ILE 130 Cb 0.14 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1rj4 h ILE 130 CO -0.03 0.26 0.49 0.00 0.00 0.00 0.00 178.15 178.88 1rj4 h ALA 131 N 0.95 1.04 -0.53 1.87 0.00 -0.90 0.45 119.26 122.15 1rj4 h ALA 131 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rj4 h ALA 131 Cb 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rj4 h ALA 131 CO -0.00 0.51 0.24 0.28 0.00 0.00 0.00 179.25 180.28 1rj4 h VAL 132 N 1.12 1.21 0.49 0.00 2.07 -0.92 -0.95 116.25 119.27 1rj4 h VAL 132 Ca 0.29 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1rj4 h VAL 132 Cb -0.04 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1rj4 h VAL 132 CO -0.05 0.24 -0.25 -0.74 0.02 0.00 0.00 177.57 176.78 1rj4 h HIS 133 N 0.72 -0.65 -0.85 1.57 6.17 -0.96 -1.87 115.15 119.27 1rj4 h HIS 133 Ca 0.18 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.25 1rj4 h HIS 133 Cb 0.15 0.22 -0.04 0.00 2.52 0.00 0.00 27.41 30.26 1rj4 h HIS 133 CO 0.00 -0.40 0.54 0.93 0.71 0.00 0.00 177.93 179.71 1rj4 h GLU 134 N -0.68 1.13 -0.18 5.26 5.08 -0.80 -1.13 114.58 123.26 1rj4 h GLU 134 Ca -0.06 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1rj4 h GLU 134 Cb 0.53 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1rj4 h GLU 134 CO 0.10 0.77 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.43 1rj4 h LEU 135 N 1.16 0.42 -0.49 1.33 3.38 -1.13 -1.18 115.31 118.80 1rj4 h LEU 135 Ca 0.31 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1rj4 h LEU 135 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1rj4 h LEU 135 CO -0.06 0.77 -0.46 0.28 0.09 0.00 0.00 178.44 179.06 1rj4 h SER 136 N 0.34 0.78 -0.43 -0.43 0.02 -0.86 0.30 113.55 113.27 1rj4 h SER 136 Ca 0.03 -0.38 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1rj4 h SER 136 Cb 0.83 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1rj4 h SER 136 CO 0.07 1.12 -0.13 0.44 -1.14 0.00 0.00 176.83 177.19 1rj4 h ASP 137 N 0.58 0.90 -0.30 3.07 5.19 -1.00 0.13 116.42 125.00 1rj4 h ASP 137 Ca 0.03 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 56.10 1rj4 h ASP 137 Cb 1.02 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1rj4 h ASP 137 CO 0.10 1.03 -0.02 0.58 -3.12 0.00 0.00 179.24 177.81 1rj4 h VAL 138 N 0.81 1.26 -0.57 -1.35 2.07 -1.00 -2.05 116.25 115.42 1rj4 h VAL 138 Ca 0.13 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.73 1rj4 h VAL 138 Cb 0.66 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1rj4 h VAL 138 CO 0.05 0.32 0.27 1.23 0.02 0.00 0.00 177.57 179.45 1rj4 h GLY 139 N 0.32 0.81 0.86 2.17 0.00 -0.14 -1.48 103.07 105.61 1rj4 h GLY 139 Ca 0.08 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1rj4 h GLY 139 CO 0.02 0.08 0.48 -0.09 0.00 0.00 0.00 176.54 177.02 1rj4 h ARG 140 N 0.50 0.90 -0.85 4.80 2.43 -0.66 -1.07 114.38 120.44 1rj4 h ARG 140 Ca 0.27 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1rj4 h ARG 140 Cb 0.23 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1rj4 h ARG 140 CO -0.21 0.60 0.42 0.00 -1.51 0.00 0.00 179.97 179.26 1rj4 h ALA 141 N 1.32 1.13 -0.32 2.80 0.00 -0.67 -0.46 119.26 123.06 1rj4 h ALA 141 Ca 0.30 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1rj4 h ALA 141 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1rj4 h ALA 141 CO -0.11 0.66 -0.04 0.82 0.00 0.00 0.00 179.25 180.58 1rj4 h ILE 142 N 1.21 1.27 -0.60 0.00 2.04 -0.84 -2.96 117.51 117.63 1rj4 h ILE 142 Ca 0.29 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1rj4 h ILE 142 Cb 0.11 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1rj4 h ILE 142 CO -0.04 0.34 0.40 0.58 0.00 0.00 0.00 178.15 179.43 1rj4 h VAL 143 N 0.38 1.10 -0.02 1.67 2.07 -0.74 -1.13 116.25 119.58 1rj4 h VAL 143 Ca 0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1rj4 h VAL 143 Cb 0.51 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1rj4 h VAL 143 CO 0.02 0.13 0.13 0.03 0.02 0.00 0.00 177.57 177.91 1rj4 h ARG 144 N 0.73 0.00 0.00 1.57 3.08 -0.92 0.15 114.38 118.99 1rj4 h ARG 144 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1rj4 h ARG 144 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1rj4 h ARG 144 CO -0.06 0.00 0.00 -0.91 -1.07 0.00 0.00 179.97 177.93 1rj4 h ASN 145 N 0.00 0.00 0.10 7.04 2.35 -1.29 -2.35 115.58 121.42 1rj4 h ASN 145 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1rj4 h ASN 145 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1rj4 h ASN 145 CO -0.00 0.00 -0.29 0.18 -1.65 0.00 0.00 177.43 175.67 1rj4 n LEU 146 N -3.00 1.59 0.00 1.61 4.77 0.51 -5.13 117.00 117.35 1rj4 n LEU 146 Ca 0.00 -0.53 0.16 0.00 -0.03 0.00 0.00 56.01 55.62 1rj4 n LEU 146 Cb 0.27 -0.06 0.95 0.00 -2.33 0.00 0.00 43.42 42.25 1rj4 n LEU 146 CO 0.25 0.29 1.11 0.18 -1.33 0.00 0.00 177.39 177.89