#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj4 n ASN 2 N 0.00 3.98 -0.33 1.20 4.13 -1.26 -4.78 115.26 118.21 1rj4 n ASN 2 Ca 0.00 -3.80 0.01 0.00 1.68 0.00 0.00 54.58 52.47 1rj4 n ASN 2 Cb 0.00 -0.52 0.15 0.00 -1.54 0.00 0.00 39.78 37.87 1rj4 n ASN 2 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1rj4 h LEU 3 N 1.64 0.89 -0.40 3.41 5.85 -1.98 0.35 115.31 125.06 1rj4 h LEU 3 Ca 0.29 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 1rj4 h LEU 3 Cb 1.38 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1rj4 h LEU 3 CO 0.61 0.56 -0.13 0.58 -0.34 0.00 0.00 178.44 179.73 1rj4 h VAL 4 N 1.02 1.28 -0.25 1.05 2.07 -1.90 -0.67 116.25 118.84 1rj4 h VAL 4 Ca 0.39 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1rj4 h VAL 4 Cb 0.18 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1rj4 h VAL 4 CO -0.18 0.41 0.05 -0.08 0.02 0.00 0.00 177.57 177.80 1rj4 h GLU 5 N 0.60 0.41 -0.51 1.57 4.81 -1.73 -0.81 114.58 118.93 1rj4 h GLU 5 Ca 0.10 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rj4 h GLU 5 Cb 0.66 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1rj4 h GLU 5 CO 0.05 0.52 0.30 1.15 -0.73 0.00 0.00 179.01 180.29 1rj4 h THR 6 N 0.24 1.16 -0.15 0.32 2.02 -0.28 -1.79 112.91 114.42 1rj4 h THR 6 Ca 0.08 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1rj4 h THR 6 Cb 0.30 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1rj4 h THR 6 CO 0.00 0.17 0.03 0.74 0.37 0.00 0.00 175.52 176.83 1rj4 h THR 7 N 0.68 1.21 0.00 3.16 2.02 -1.00 -2.96 112.91 116.02 1rj4 h THR 7 Ca 0.18 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1rj4 h THR 7 Cb 0.01 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1rj4 h THR 7 CO -0.03 0.20 -0.10 0.00 0.37 0.00 0.00 175.52 175.95 1rj4 h LYS 9 N 0.00 0.00 -1.41 0.00 1.57 -1.15 -2.46 116.57 113.12 1rj4 h LYS 9 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1rj4 h LYS 9 Cb 0.44 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.56 1rj4 h LYS 9 CO 0.01 0.31 0.56 -1.71 -0.57 0.00 0.00 179.45 178.05 1rj4 n ASN 10 N -3.77 6.84 -4.25 0.86 5.15 -0.76 -4.90 115.26 114.44 1rj4 n ASN 10 Ca -0.01 -3.29 -0.14 0.00 -0.60 0.00 0.00 54.58 50.54 1rj4 n ASN 10 Cb 0.40 -1.05 -0.10 0.00 -0.53 0.00 0.00 39.78 38.51 1rj4 n ASN 10 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1rj4 s THR 11 N -3.05 0.31 -1.80 -0.44 -4.23 -0.93 -4.57 115.64 100.93 1rj4 s THR 11 Ca 0.42 -1.99 0.30 0.00 -1.18 0.00 0.00 61.69 59.25 1rj4 s THR 11 Cb 0.33 -2.48 0.65 0.00 1.34 0.00 0.00 72.50 72.34 1rj4 s THR 11 CO -0.02 -0.09 2.03 -0.81 -0.54 0.00 0.00 174.62 175.19 1rj4 n PRO 12 N -0.33 0.83 -3.07 3.99 -0.04 -1.26 -4.47 135.00 130.65 1rj4 n PRO 12 Ca -0.00 -0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 1rj4 n PRO 12 Cb 0.66 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1rj4 n PRO 12 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1rj4 s ASN 13 N -2.28 -0.07 0.21 3.54 3.04 -1.26 -5.02 114.94 113.10 1rj4 s ASN 13 Ca 0.37 -2.37 -0.11 0.00 0.04 0.00 0.00 52.86 50.79 1rj4 s ASN 13 Cb 0.21 0.78 0.28 0.00 -1.54 0.00 0.00 41.25 40.97 1rj4 s ASN 13 CO 0.42 -0.11 1.69 0.22 -3.04 0.00 0.00 177.10 176.28 1rj4 h TYR 14 N 5.33 0.12 -0.47 0.43 3.20 -1.78 -0.94 116.97 122.86 1rj4 h TYR 14 Ca 0.16 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1rj4 h TYR 14 Cb 1.01 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1rj4 h TYR 14 CO 0.18 -0.07 0.16 0.37 -1.64 0.00 0.00 178.16 177.16 1rj4 h GLN 15 N 0.21 0.73 -0.41 1.82 4.15 -1.95 0.55 115.11 120.20 1rj4 h GLN 15 Ca 0.31 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1rj4 h GLN 15 Cb 0.47 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1rj4 h GLN 15 CO -0.43 0.68 0.13 1.25 -1.93 0.00 0.00 178.83 178.53 1rj4 h LEU 16 N 0.62 0.59 -0.49 -2.39 5.85 -1.94 -1.20 115.31 116.36 1rj4 h LEU 16 Ca 0.15 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1rj4 h LEU 16 Cb 0.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1rj4 h LEU 16 CO -0.01 0.64 0.18 0.00 -0.34 0.00 0.00 178.44 178.91 1rj4 h LEU 18 N 0.66 -0.23 -0.84 0.00 3.38 -0.74 -1.01 115.31 116.53 1rj4 h LEU 18 Ca 0.16 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1rj4 h LEU 18 Cb 0.24 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1rj4 h LEU 18 CO -0.01 -0.02 0.52 0.50 0.09 0.00 0.00 178.44 179.52 1rj4 h LYS 19 N -0.44 0.93 -0.13 1.13 3.64 -1.18 0.17 116.57 120.69 1rj4 h LYS 19 Ca -0.03 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1rj4 h LYS 19 Cb 0.33 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1rj4 h LYS 19 CO 0.05 0.62 0.02 1.15 -2.27 0.00 0.00 179.45 179.01 1rj4 h THR 20 N 0.96 1.22 0.01 1.00 2.02 -0.95 -2.62 112.91 114.54 1rj4 h THR 20 Ca 0.36 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1rj4 h THR 20 Cb 0.14 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1rj4 h THR 20 CO -0.16 0.21 -0.00 -0.07 0.37 0.00 0.00 175.52 175.86 1rj4 h LEU 21 N -0.01 -0.01 -2.63 2.58 4.07 -0.80 -3.17 115.31 115.34 1rj4 h LEU 21 Ca 0.04 -0.48 -0.00 0.00 0.08 0.00 0.00 57.88 57.51 1rj4 h LEU 21 Cb 0.30 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1rj4 h LEU 21 CO 0.00 0.48 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.77 1rj4 h LEU 22 N -0.50 0.00 -0.35 1.67 4.07 -0.78 -2.20 115.31 117.22 1rj4 h LEU 22 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1rj4 h LEU 22 Cb 0.49 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1rj4 h LEU 22 CO 0.00 0.01 -0.14 -1.28 -1.08 0.00 0.00 178.44 175.95 1rj4 h SER 23 N 0.00 0.00 -3.41 -0.43 0.87 -1.43 -3.44 113.55 105.71 1rj4 h SER 23 Ca -0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 1rj4 h SER 23 Cb 0.10 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.94 1rj4 h SER 23 CO 0.00 0.14 -0.46 -0.62 -0.53 0.00 0.00 176.83 175.36 1rj4 s ASP 24 N -6.19 6.21 0.49 6.23 -1.08 -0.83 -4.99 116.67 116.52 1rj4 s ASP 24 Ca 0.05 0.23 0.33 0.00 -0.52 0.00 0.00 52.55 52.64 1rj4 s ASP 24 Cb 0.07 -2.12 1.69 0.00 -1.46 0.00 0.00 42.92 41.10 1rj4 s ASP 24 CO 0.66 0.11 2.00 0.11 0.52 0.00 0.00 175.17 178.58 1rj4 h LYS 25 N 7.05 0.00 0.00 4.34 1.57 -1.85 -2.19 116.57 125.50 1rj4 h LYS 25 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1rj4 h LYS 25 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rj4 h LYS 25 CO 0.72 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.60 1rj4 h ARG 26 N 0.00 0.00 -0.49 3.15 3.08 -1.94 -3.32 114.38 114.87 1rj4 h ARG 26 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1rj4 h ARG 26 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1rj4 h ARG 26 CO 0.00 0.00 0.11 0.66 -1.07 0.00 0.00 179.97 179.67 1rj4 h SER 27 N 0.00 0.74 -0.46 7.04 4.64 -1.62 -0.95 113.55 122.95 1rj4 h SER 27 Ca 0.00 -0.24 0.13 0.00 -0.47 0.00 0.00 61.79 61.22 1rj4 h SER 27 Cb 0.52 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1rj4 h SER 27 CO 0.00 0.79 0.33 0.00 -0.87 0.00 0.00 176.83 177.08 1rj4 h ALA 28 N 0.98 2.43 -0.00 5.18 0.00 -1.80 -3.04 119.26 123.01 1rj4 h ALA 28 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rj4 h ALA 28 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rj4 h ALA 28 CO 0.00 -0.57 -0.02 0.25 0.00 0.00 0.00 179.25 178.92 1rj4 n THR 29 N -4.39 0.00 -1.58 0.00 -2.24 -1.19 -5.07 114.28 99.81 1rj4 n THR 29 Ca 0.08 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 1rj4 n THR 29 Cb 0.54 1.01 0.08 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.72 1.63 0.52 3.38 0.00 -0.37 -5.08 107.32 106.69 1rj4 s GLY 30 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 1rj4 s GLY 30 CO 0.02 0.24 0.72 2.09 0.00 0.00 0.00 173.10 176.17 1rj4 n ASP 31 N -3.34 0.87 -0.23 1.64 5.75 -1.26 -4.87 116.55 115.12 1rj4 n ASP 31 Ca 0.07 -1.76 -0.01 0.00 -0.01 0.00 0.00 54.79 53.08 1rj4 n ASP 31 Cb 0.56 -0.47 0.20 0.00 -1.03 0.00 0.00 41.12 40.37 1rj4 n ASP 31 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1rj4 h ILE 32 N -0.62 1.22 -0.77 2.12 2.04 -1.98 -1.83 117.51 117.69 1rj4 h ILE 32 Ca -0.24 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1rj4 h ILE 32 Cb 0.85 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1rj4 h ILE 32 CO 0.25 0.24 0.35 0.74 0.00 0.00 0.00 178.15 179.72 1rj4 h THR 33 N 1.03 1.25 -0.45 -0.27 2.02 -1.97 -0.45 112.91 114.07 1rj4 h THR 33 Ca 0.26 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1rj4 h THR 33 Cb 0.00 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1rj4 h THR 33 CO -0.05 0.30 -0.02 0.74 0.37 0.00 0.00 175.52 176.87 1rj4 h THR 34 N 1.10 1.24 -0.18 3.16 2.02 -1.75 -0.86 112.91 117.64 1rj4 h THR 34 Ca 0.26 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 1rj4 h THR 34 Cb 0.14 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1rj4 h THR 34 CO -0.03 0.35 -0.43 -0.07 0.37 0.00 0.00 175.52 175.71 1rj4 h LEU 35 N 0.70 0.45 -0.62 2.58 3.38 -0.84 -0.94 115.31 120.03 1rj4 h LEU 35 Ca 0.14 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1rj4 h LEU 35 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1rj4 h LEU 35 CO 0.02 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.42 1rj4 h ALA 36 N 1.19 0.82 -0.15 1.53 0.00 -0.60 -1.97 119.26 120.09 1rj4 h ALA 36 Ca 0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1rj4 h ALA 36 Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1rj4 h ALA 36 CO 0.08 0.63 -0.30 -0.07 0.00 0.00 0.00 179.25 179.58 1rj4 h LEU 37 N 0.96 0.29 -0.55 0.00 -0.00 -0.86 -0.71 115.31 114.44 1rj4 h LEU 37 Ca 0.18 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 57.87 1rj4 h LEU 37 Cb 0.50 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 1rj4 h LEU 37 CO 0.02 0.59 -0.01 0.40 -0.00 0.00 0.00 178.44 179.44 1rj4 h ILE 38 N 0.25 1.27 -0.32 1.22 2.04 -0.88 -1.27 117.51 119.81 1rj4 h ILE 38 Ca 0.03 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1rj4 h ILE 38 Cb 0.67 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1rj4 h ILE 38 CO 0.05 0.41 0.04 -0.03 0.00 0.00 0.00 178.15 178.61 1rj4 h MET 39 N 0.87 0.54 -0.73 2.37 4.05 -0.89 -2.17 114.93 118.98 1rj4 h MET 39 Ca 0.16 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1rj4 h MET 39 Cb 0.56 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.26 1rj4 h MET 39 CO 0.03 0.64 0.48 0.28 0.23 0.00 0.00 176.91 178.57 1rj4 h VAL 40 N 0.36 1.12 -0.31 -5.77 2.07 -1.00 -0.74 116.25 111.98 1rj4 h VAL 40 Ca 0.10 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1rj4 h VAL 40 Cb 0.37 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1rj4 h VAL 40 CO 0.01 0.16 -0.16 0.44 0.02 0.00 0.00 177.57 178.05 1rj4 h ASP 41 N 0.90 0.54 -0.36 0.57 3.32 -0.91 0.15 116.42 120.64 1rj4 h ASP 41 Ca 0.29 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1rj4 h ASP 41 Cb 0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1rj4 h ASP 41 CO -0.08 0.72 -0.15 0.00 -1.72 0.00 0.00 179.24 178.01 1rj4 h ALA 42 N 1.34 0.91 -0.42 3.45 0.00 -0.71 -1.04 119.26 122.78 1rj4 h ALA 42 Ca 0.09 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1rj4 h ALA 42 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1rj4 h ALA 42 CO 0.04 0.63 -0.04 0.82 0.00 0.00 0.00 179.25 180.69 1rj4 h ILE 43 N 0.73 1.27 -0.98 0.00 2.04 -0.59 -2.16 117.51 117.82 1rj4 h ILE 43 Ca 0.11 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1rj4 h ILE 43 Cb 0.66 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1rj4 h ILE 43 CO 0.05 0.37 0.65 0.50 0.00 0.00 0.00 178.15 179.71 1rj4 h LYS 44 N 0.60 1.30 -0.31 2.37 3.64 -0.86 0.13 116.57 123.43 1rj4 h LYS 44 Ca 0.11 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1rj4 h LYS 44 Cb 0.54 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1rj4 h LYS 44 CO 0.03 0.86 -0.00 0.00 -2.27 0.00 0.00 179.45 178.07 1rj4 h ALA 45 N 1.38 0.42 -0.24 5.00 0.00 -0.88 0.14 119.26 125.09 1rj4 h ALA 45 Ca 0.36 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1rj4 h ALA 45 Cb -0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1rj4 h ALA 45 CO -0.08 0.18 -0.52 0.87 0.00 0.00 0.00 179.25 179.70 1rj4 h LYS 46 N 0.36 0.68 -0.43 0.00 1.79 -1.17 -1.87 116.57 115.93 1rj4 h LYS 46 Ca 0.09 -0.41 -0.07 0.00 -2.18 0.00 0.00 60.65 58.07 1rj4 h LYS 46 Cb 0.45 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1rj4 h LYS 46 CO 0.02 1.03 -0.04 0.00 -1.08 0.00 0.00 179.45 179.38 1rj4 h ALA 47 N 0.89 1.12 -0.44 3.86 0.00 -0.64 -0.32 119.26 123.73 1rj4 h ALA 47 Ca 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1rj4 h ALA 47 Cb 1.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1rj4 h ALA 47 CO 0.11 0.56 -0.09 -0.91 0.00 0.00 0.00 179.25 178.91 1rj4 h ASN 48 N 0.67 0.77 -0.35 0.00 2.35 -0.84 0.03 115.58 118.21 1rj4 h ASN 48 Ca 0.13 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1rj4 h ASN 48 Cb 0.47 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1rj4 h ASN 48 CO 0.02 0.89 -0.23 -0.61 -1.65 0.00 0.00 177.43 175.85 1rj4 h GLN 49 N 0.71 0.77 -0.73 0.81 4.15 -0.82 -1.61 115.11 118.40 1rj4 h GLN 49 Ca 0.12 -0.36 0.01 0.00 0.77 0.00 0.00 58.65 59.19 1rj4 h GLN 49 Cb 0.57 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1rj4 h GLN 49 CO 0.03 0.99 0.47 0.00 -1.93 0.00 0.00 178.83 178.40 1rj4 h ALA 50 N 0.77 0.92 -0.38 3.38 0.00 -0.79 -1.43 119.26 121.73 1rj4 h ALA 50 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rj4 h ALA 50 Cb 0.79 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1rj4 h ALA 50 CO 0.06 0.35 0.22 0.00 0.00 0.00 0.00 179.25 179.88 1rj4 h ALA 51 N 1.26 0.47 -0.12 0.00 0.00 -0.70 -0.48 119.26 119.68 1rj4 h ALA 51 Ca 0.26 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1rj4 h ALA 51 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1rj4 h ALA 51 CO -0.06 -0.13 -0.36 0.28 0.00 0.00 0.00 179.25 178.98 1rj4 h VAL 52 N 0.44 1.29 -0.40 0.00 2.07 -1.17 -1.82 116.25 116.66 1rj4 h VAL 52 Ca 0.15 -1.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.14 1rj4 h VAL 52 Cb 0.02 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1rj4 h VAL 52 CO -0.08 0.42 -0.29 0.74 0.02 0.00 0.00 177.57 178.38 1rj4 h THR 53 N 0.22 1.28 -0.36 2.57 2.02 -0.78 -0.21 112.91 117.65 1rj4 h THR 53 Ca 0.02 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1rj4 h THR 53 Cb 0.74 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1rj4 h THR 53 CO 0.06 0.49 0.17 0.40 0.37 0.00 0.00 175.52 177.01 1rj4 h ILE 54 N 0.73 1.16 -0.56 3.11 2.04 -0.98 -1.68 117.51 121.34 1rj4 h ILE 54 Ca 0.08 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1rj4 h ILE 54 Cb 0.87 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1rj4 h ILE 54 CO 0.08 0.17 0.33 -1.28 0.00 0.00 0.00 178.15 177.45 1rj4 h SER 55 N 0.44 0.53 -0.68 1.72 0.87 -0.96 -0.98 113.55 114.49 1rj4 h SER 55 Ca 0.12 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1rj4 h SER 55 Cb 0.11 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1rj4 h SER 55 CO -0.02 0.37 0.29 0.11 -0.53 0.00 0.00 176.83 177.05 1rj4 h LYS 56 N 0.65 1.02 -0.22 2.24 1.57 -0.75 -1.49 116.57 119.58 1rj4 h LYS 56 Ca 0.23 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1rj4 h LYS 56 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1rj4 h LYS 56 CO -0.11 0.82 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.04 1rj4 h LEU 57 N 1.00 0.66 -1.34 2.94 3.38 -0.94 -2.47 115.31 118.54 1rj4 h LEU 57 Ca 0.24 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1rj4 h LEU 57 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1rj4 h LEU 57 CO -0.02 1.04 -0.29 0.03 0.09 0.00 0.00 178.44 179.28 1rj4 h ARG 58 N 0.48 0.06 -0.37 1.13 3.08 -0.60 -2.81 114.38 115.34 1rj4 h ARG 58 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rj4 h ARG 58 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1rj4 h ARG 58 CO 0.10 0.35 0.00 0.72 -1.07 0.00 0.00 179.97 180.06 1rj4 n HIS 59 N -4.17 0.49 -1.46 3.04 8.25 -0.62 -4.24 115.22 116.51 1rj4 n HIS 59 Ca -0.02 -0.24 -0.14 0.00 -0.26 0.00 0.00 57.72 57.06 1rj4 n HIS 59 Cb 0.35 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.63 1rj4 n HIS 59 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rj4 n SER 60 N 0.87 3.53 -3.62 0.41 3.41 -0.95 -4.95 113.62 112.32 1rj4 n SER 60 Ca 0.17 -3.76 -0.28 0.00 -0.26 0.00 0.00 58.87 54.74 1rj4 n SER 60 Cb 0.43 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.07 -5.06 -4.65 4.04 3.02 -1.26 -4.95 115.26 105.33 1rj4 n ASN 61 Ca 0.43 -0.95 -0.29 0.00 -0.03 0.00 0.00 54.58 53.74 1rj4 n ASN 61 Cb 1.13 -3.71 0.18 0.00 -0.61 0.00 0.00 39.78 36.76 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 -5.74 0.52 0.71 3.52 0.04 -1.25 -4.97 135.00 127.83 1rj4 s PRO 62 Ca 0.42 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 1rj4 s PRO 62 Cb -0.13 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1rj4 s PRO 62 CO 0.84 -2.76 1.13 -1.25 0.04 0.00 0.00 177.00 175.01 1rj4 s PRO 63 N -4.79 2.42 0.38 0.56 0.04 -1.26 -4.89 135.00 127.46 1rj4 s PRO 63 Ca 0.65 1.46 0.11 0.00 0.04 0.00 0.00 61.00 63.27 1rj4 s PRO 63 Cb -0.20 -1.90 0.89 0.00 0.04 0.00 0.00 34.50 33.33 1rj4 s PRO 63 CO 0.59 -1.56 1.89 0.00 0.04 0.00 0.00 177.00 177.97 1rj4 h ALA 64 N -0.36 1.92 0.00 8.56 0.00 -2.02 -1.63 119.26 125.73 1rj4 h ALA 64 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1rj4 h ALA 64 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rj4 h ALA 64 CO 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1rj4 h ALA 65 N 1.61 1.00 -0.00 0.00 0.00 -2.04 -2.59 119.26 117.25 1rj4 h ALA 65 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1rj4 h ALA 65 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1rj4 h ALA 65 CO -0.17 0.00 -0.78 0.91 0.00 0.00 0.00 179.25 179.21 1rj4 n TRP 66 N -2.87 0.00 -0.08 0.00 7.02 -0.62 -4.50 117.44 116.39 1rj4 n TRP 66 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1rj4 n TRP 66 Cb 0.24 -0.07 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 1rj4 n TRP 66 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1rj4 h LYS 67 N 0.32 0.36 0.15 -0.99 1.57 -1.39 -0.35 116.57 116.23 1rj4 h LYS 67 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rj4 h LYS 67 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1rj4 h LYS 67 CO 0.00 0.24 -0.07 0.78 -0.57 0.00 0.00 179.45 179.83 1rj4 h GLY 68 N 0.37 -0.20 0.44 3.86 0.00 -1.79 -2.73 103.07 103.01 1rj4 h GLY 68 Ca 0.11 0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.63 1rj4 h GLY 68 CO -0.04 -0.07 0.54 -2.55 0.00 0.00 0.00 176.54 174.42 1rj4 h PRO 69 N -0.73 0.83 -0.41 4.80 0.11 -1.78 -0.03 132.00 134.79 1rj4 h PRO 69 Ca -0.02 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 1rj4 h PRO 69 Cb 0.52 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1rj4 h PRO 69 CO 0.03 0.55 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.18 1rj4 h LEU 70 N 0.85 0.72 -0.15 2.35 4.07 -1.11 0.17 115.31 122.21 1rj4 h LEU 70 Ca 0.46 -0.22 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 1rj4 h LEU 70 Cb 0.48 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 1rj4 h LEU 70 CO -0.28 0.87 -0.11 0.50 -1.08 0.00 0.00 178.44 178.34 1rj4 h LYS 71 N 0.66 0.35 -0.45 1.13 3.64 -0.95 -0.54 116.57 120.40 1rj4 h LYS 71 Ca 0.11 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1rj4 h LYS 71 Cb 0.59 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1rj4 h LYS 71 CO 0.04 0.70 0.07 -0.91 -2.27 0.00 0.00 179.45 177.08 1rj4 h ASN 72 N -0.01 0.65 -0.08 4.20 2.35 -0.89 -1.02 115.58 120.79 1rj4 h ASN 72 Ca 0.03 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1rj4 h ASN 72 Cb 0.61 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1rj4 h ASN 72 CO 0.03 0.67 -0.12 0.00 -1.65 0.00 0.00 177.43 176.36 1rj4 h ALA 74 N 1.50 0.90 -0.58 0.00 0.00 0.21 -1.87 119.26 119.42 1rj4 h ALA 74 Ca 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1rj4 h ALA 74 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rj4 h ALA 74 CO 0.03 0.66 0.19 0.74 0.00 0.00 0.00 179.25 180.87 1rj4 h PHE 75 N 0.98 0.92 -0.30 0.00 0.04 -0.93 0.21 116.94 117.85 1rj4 h PHE 75 Ca 0.18 -0.09 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1rj4 h PHE 75 Cb 0.50 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 1rj4 h PHE 75 CO 0.04 0.76 0.03 0.77 -0.60 0.00 0.00 178.31 179.31 1rj4 h SER 76 N 0.81 -0.07 1.13 2.17 0.02 -0.84 -1.40 113.55 115.37 1rj4 h SER 76 Ca 0.19 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1rj4 h SER 76 Cb 0.27 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1rj4 h SER 76 CO -0.01 0.00 -0.33 1.88 -1.14 0.00 0.00 176.83 177.24 1rj4 h TYR 77 N 0.12 0.00 -0.65 3.45 0.05 -1.20 -1.96 116.97 116.79 1rj4 h TYR 77 Ca 0.14 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 1rj4 h TYR 77 Cb 0.18 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1rj4 h TYR 77 CO -0.20 0.33 0.06 -0.22 -1.05 0.00 0.00 178.16 177.08 1rj4 h LYS 78 N 0.00 1.10 -0.37 4.88 3.64 -0.43 -1.50 116.57 123.90 1rj4 h LYS 78 Ca -0.00 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1rj4 h LYS 78 Cb 0.98 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1rj4 h LYS 78 CO 0.04 1.04 0.12 0.28 -2.27 0.00 0.00 179.45 178.66 1rj4 h VAL 79 N 1.02 1.21 -0.14 2.00 2.07 -0.84 0.50 116.25 122.07 1rj4 h VAL 79 Ca 0.19 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1rj4 h VAL 79 Cb 0.50 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1rj4 h VAL 79 CO 0.02 0.24 0.02 0.40 0.02 0.00 0.00 177.57 178.27 1rj4 h ILE 80 N 0.45 0.93 0.00 4.57 2.04 -1.16 -1.10 117.51 123.23 1rj4 h ILE 80 Ca 0.12 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 65.75 1rj4 h ILE 80 Cb 0.25 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1rj4 h ILE 80 CO -0.00 0.01 -0.95 -0.07 0.00 0.00 0.00 178.15 177.14 1rj4 h LEU 81 N 0.07 0.00 0.00 1.44 3.38 -1.22 -1.36 115.31 117.63 1rj4 h LEU 81 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rj4 h LEU 81 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rj4 h LEU 81 CO -0.09 0.95 -1.19 0.35 0.09 0.00 0.00 178.44 178.55 1rj4 n THR 82 N -3.36 0.01 0.02 0.22 -2.24 0.16 -4.53 114.28 104.57 1rj4 n THR 82 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1rj4 n THR 82 Cb 0.91 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.69 3.00 -0.09 6.98 0.00 -0.48 -4.77 120.51 123.47 1rj4 n ALA 83 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1rj4 n ALA 83 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.63 -0.12 0.00 0.02 -1.40 0.35 113.55 111.77 1rj4 h SER 84 Ca 0.00 0.14 -0.23 0.00 -0.84 0.00 0.00 61.79 60.86 1rj4 h SER 84 Cb 0.00 0.33 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1rj4 h SER 84 CO 0.00 -0.22 -0.82 -0.07 -1.14 0.00 0.00 176.83 174.58 1rj4 h LEU 85 N -0.14 0.93 -0.87 5.07 3.38 -1.51 -2.07 115.31 120.11 1rj4 h LEU 85 Ca 0.17 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1rj4 h LEU 85 Cb 0.40 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1rj4 h LEU 85 CO -0.43 1.43 0.42 -0.65 0.09 0.00 0.00 178.44 179.31 1rj4 h PRO 86 N 0.52 1.24 -0.57 1.13 0.11 -1.74 -1.50 132.00 131.18 1rj4 h PRO 86 Ca -0.06 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 1rj4 h PRO 86 Cb 1.45 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1rj4 h PRO 86 CO 0.17 0.94 0.35 1.49 -0.21 0.00 0.00 178.00 180.73 1rj4 h GLU 87 N 1.23 0.76 -0.25 1.05 4.81 -0.86 -1.37 114.58 119.95 1rj4 h GLU 87 Ca 0.30 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1rj4 h GLU 87 Cb 0.10 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1rj4 h GLU 87 CO -0.04 0.53 -0.23 0.00 -0.73 0.00 0.00 179.01 178.55 1rj4 h ALA 88 N 1.61 0.36 -0.81 2.92 0.00 -0.71 -1.76 119.26 120.86 1rj4 h ALA 88 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rj4 h ALA 88 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1rj4 h ALA 88 CO -0.04 0.32 0.51 0.82 0.00 0.00 0.00 179.25 180.85 1rj4 h ILE 89 N 0.30 1.22 -0.58 0.00 2.04 -1.03 -0.17 117.51 119.28 1rj4 h ILE 89 Ca 0.04 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1rj4 h ILE 89 Cb 0.78 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1rj4 h ILE 89 CO 0.06 0.23 0.03 -0.33 0.00 0.00 0.00 178.15 178.13 1rj4 h GLU 90 N 1.11 1.01 -0.47 2.37 4.39 -1.14 -1.19 114.58 120.66 1rj4 h GLU 90 Ca 0.29 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1rj4 h GLU 90 Cb -0.07 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1rj4 h GLU 90 CO -0.06 0.99 -0.03 0.00 -1.16 0.00 0.00 179.01 178.75 1rj4 h ALA 91 N 0.99 1.07 -0.13 3.43 0.00 -0.75 0.11 119.26 123.98 1rj4 h ALA 91 Ca 0.17 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1rj4 h ALA 91 Cb 0.51 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rj4 h ALA 91 CO 0.02 0.58 -0.72 -0.07 0.00 0.00 0.00 179.25 179.07 1rj4 h LEU 92 N 0.73 0.86 0.04 0.00 3.38 -0.83 -2.73 115.31 116.76 1rj4 h LEU 92 Ca 0.14 -0.64 -0.20 0.00 0.09 0.00 0.00 57.88 57.27 1rj4 h LEU 92 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1rj4 h LEU 92 CO 0.02 1.36 -1.07 0.71 0.09 0.00 0.00 178.44 179.56 1rj4 h THR 93 N 0.42 1.12 0.00 0.22 1.35 -1.20 -3.42 112.91 111.40 1rj4 h THR 93 Ca -0.05 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1rj4 h THR 93 Cb 1.35 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 1rj4 h THR 93 CO 0.15 0.51 -0.01 0.29 -0.25 0.00 0.00 175.52 176.21 1rj4 n LYS 94 N -4.28 1.96 0.00 4.72 5.02 0.29 -5.06 118.16 120.81 1rj4 n LYS 94 Ca -0.25 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1rj4 n LYS 94 Cb 0.72 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 -1.00 5.14 3.61 0.72 0.00 -0.70 -4.93 105.19 108.03 1rj4 n GLY 95 Ca 0.09 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 1.25 6.03 0.30 1.61 -1.08 -1.15 -4.76 116.67 118.87 1rj4 s ASP 96 Ca 0.00 0.02 0.17 0.00 -0.52 0.00 0.00 52.55 52.22 1rj4 s ASP 96 Cb 0.00 -2.11 0.90 0.00 -1.46 0.00 0.00 42.92 40.25 1rj4 s ASP 96 CO 0.00 -0.02 1.46 -2.65 0.52 0.00 0.00 175.17 174.48 1rj4 n PRO 97 N 4.83 0.11 -0.27 4.34 -0.02 -1.21 -1.53 135.00 141.25 1rj4 n PRO 97 Ca -0.14 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1rj4 n PRO 97 Cb 0.52 -1.99 0.21 0.00 -0.02 0.00 0.00 33.50 32.22 1rj4 n PRO 97 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1rj4 h LYS 98 N 0.00 0.42 0.00 -0.52 1.57 -1.93 -0.65 116.57 115.47 1rj4 h LYS 98 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1rj4 h LYS 98 Cb 0.27 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1rj4 h LYS 98 CO 0.00 0.28 -0.15 0.74 -0.57 0.00 0.00 179.45 179.75 1rj4 h PHE 99 N 0.44 0.00 0.00 -1.35 0.04 -1.64 -2.89 116.94 111.53 1rj4 h PHE 99 Ca 0.45 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.17 1rj4 h PHE 99 Cb 0.73 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1rj4 h PHE 99 CO -0.16 0.15 -0.21 0.00 -0.60 0.00 0.00 178.31 177.48 1rj4 h ALA 100 N 1.85 1.06 -0.39 2.45 0.00 -1.27 -2.95 119.26 120.01 1rj4 h ALA 100 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1rj4 h ALA 100 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1rj4 h ALA 100 CO 0.02 0.27 0.17 1.49 0.00 0.00 0.00 179.25 181.19 1rj4 h GLU 101 N 0.00 0.58 -0.68 0.00 4.81 -1.53 -2.61 114.58 115.15 1rj4 h GLU 101 Ca -0.00 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1rj4 h GLU 101 Cb 0.68 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1rj4 h GLU 101 CO 0.03 0.54 0.45 -0.44 -0.73 0.00 0.00 179.01 178.86 1rj4 h ASP 102 N 0.49 0.71 0.02 1.04 3.45 -1.68 -0.49 116.42 119.96 1rj4 h ASP 102 Ca 0.13 -0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.44 1rj4 h ASP 102 Cb 0.17 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1rj4 h ASP 102 CO -0.01 0.49 -0.48 1.23 -1.57 0.00 0.00 179.24 178.89 1rj4 h GLY 103 N 0.82 0.58 0.93 2.75 0.00 -1.52 -0.25 103.07 106.39 1rj4 h GLY 103 Ca 0.27 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1rj4 h GLY 103 CO -0.08 0.56 -0.23 -0.33 0.00 0.00 0.00 176.54 176.46 1rj4 h MET 104 N 0.42 0.64 -0.46 4.80 2.86 -0.95 -0.55 114.93 121.70 1rj4 h MET 104 Ca 0.02 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1rj4 h MET 104 Cb 1.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1rj4 h MET 104 CO 0.09 0.93 0.29 0.28 1.06 0.00 0.00 176.91 179.56 1rj4 h VAL 105 N 0.38 1.13 -0.59 -2.22 2.07 -1.07 -0.91 116.25 115.03 1rj4 h VAL 105 Ca 0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rj4 h VAL 105 Cb 0.79 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1rj4 h VAL 105 CO 0.06 0.13 0.37 1.23 0.02 0.00 0.00 177.57 179.37 1rj4 h GLY 106 N 0.62 0.85 1.31 2.17 0.00 -0.93 -1.63 103.07 105.46 1rj4 h GLY 106 Ca 0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1rj4 h GLY 106 CO -0.03 0.34 -0.20 1.76 0.00 0.00 0.00 176.54 178.40 1rj4 h SER 107 N 0.80 0.80 -0.24 0.19 0.02 -0.76 -0.31 113.55 114.06 1rj4 h SER 107 Ca 0.21 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1rj4 h SER 107 Cb -0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1rj4 h SER 107 CO -0.04 0.99 0.15 0.28 -1.14 0.00 0.00 176.83 177.07 1rj4 h SER 108 N 0.70 0.25 -0.33 3.07 0.02 -0.98 -1.93 113.55 114.36 1rj4 h SER 108 Ca 0.10 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1rj4 h SER 108 Cb 0.71 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1rj4 h SER 108 CO 0.05 0.19 0.14 1.23 -1.14 0.00 0.00 176.83 177.30 1rj4 h GLY 109 N 0.31 0.52 1.66 -3.77 0.00 -1.10 -2.88 103.07 97.80 1rj4 h GLY 109 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1rj4 h GLY 109 CO -0.03 0.26 -0.11 -0.55 0.00 0.00 0.00 176.54 176.12 1rj4 h ASP 110 N 0.38 0.40 -0.38 0.19 3.32 -0.98 -0.14 116.42 119.22 1rj4 h ASP 110 Ca 0.11 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1rj4 h ASP 110 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1rj4 h ASP 110 CO -0.01 0.55 -0.32 0.00 -1.72 0.00 0.00 179.24 177.73 1rj4 h ALA 111 N 1.50 0.55 -0.39 3.45 0.00 -1.35 -2.76 119.26 120.27 1rj4 h ALA 111 Ca 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1rj4 h ALA 111 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rj4 h ALA 111 CO 0.02 0.61 -0.37 1.96 0.00 0.00 0.00 179.25 181.47 1rj4 h GLN 112 N 0.70 0.92 -0.80 0.00 4.20 -1.27 -3.04 115.11 115.82 1rj4 h GLN 112 Ca 0.07 -0.48 0.11 0.00 0.06 0.00 0.00 58.65 58.41 1rj4 h GLN 112 Cb 0.91 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.62 1rj4 h GLN 112 CO 0.08 1.13 0.43 1.49 -0.67 0.00 0.00 178.83 181.29 1rj4 h GLU 113 N 0.76 0.67 0.03 1.46 4.81 -0.96 -1.09 114.58 120.25 1rj4 h GLU 113 Ca 0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rj4 h GLU 113 Cb 0.96 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1rj4 h GLU 113 CO 0.09 0.44 -0.02 0.00 -0.73 0.00 0.00 179.01 178.80 1rj4 h GLU 115 N -0.15 0.94 0.00 0.00 4.57 -1.36 -1.04 114.58 117.55 1rj4 h GLU 115 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1rj4 h GLU 115 Cb 0.13 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1rj4 h GLU 115 CO 0.01 0.62 0.00 0.39 -1.18 0.00 0.00 179.01 178.85 1rj4 n GLU 116 N -4.63 0.45 0.22 1.92 1.02 -0.45 -2.92 120.64 116.25 1rj4 n GLU 116 Ca 0.18 0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1rj4 n GLU 116 Cb 0.33 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.45 1rj4 n GLU 116 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1rj4 h TYR 117 N 0.00 0.00 -3.79 -0.32 0.05 -0.80 -3.42 116.97 108.69 1rj4 h TYR 117 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 1rj4 h TYR 117 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1rj4 h TYR 117 CO 0.00 0.02 0.16 -0.06 -1.05 0.00 0.00 178.16 177.23 1rj4 s PHE 118 N -3.23 3.46 0.23 4.88 0.08 -1.15 -4.75 117.98 117.50 1rj4 s PHE 118 Ca 0.07 1.13 -0.32 0.00 0.12 0.00 0.00 56.93 57.93 1rj4 s PHE 118 Cb 0.05 -2.51 -0.13 0.00 -0.57 0.00 0.00 43.02 39.86 1rj4 s PHE 118 CO 0.66 -0.14 1.47 1.17 -0.10 0.00 0.00 175.22 178.29 1rj4 n LYS 119 N -1.28 2.17 -1.21 0.44 4.81 -1.26 -0.30 118.16 121.52 1rj4 n LYS 119 Ca 0.03 0.77 -0.07 0.00 -0.87 0.00 0.00 58.31 58.17 1rj4 n LYS 119 Cb 0.54 -2.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 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 2.44 0.89 3.40 3.14 0.00 -1.26 -2.41 105.19 111.38 1rj4 n GLY 120 Ca 0.12 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1rj4 n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rj4 n SER 121 N -0.19 -4.66 -3.95 1.61 7.64 0.59 -4.96 113.62 109.70 1rj4 n SER 121 Ca -0.07 -0.45 -0.30 0.00 1.01 0.00 0.00 58.87 59.05 1rj4 n SER 121 Cb 0.35 -3.79 -0.16 0.00 -1.01 0.00 0.00 64.21 59.61 1rj4 n SER 121 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1rj4 s LYS 122 N -6.07 1.66 0.46 1.43 2.47 -1.01 -4.58 119.74 114.10 1rj4 s LYS 122 Ca 0.44 -1.03 0.07 0.00 -1.56 0.00 0.00 55.97 53.88 1rj4 s LYS 122 Cb -0.22 -2.62 0.02 0.00 -1.46 0.00 0.00 37.83 33.56 1rj4 s LYS 122 CO 0.54 -0.60 0.63 -1.54 0.16 0.00 0.00 175.35 174.54 1rj4 s SER 123 N 1.37 5.53 0.00 1.43 1.04 -1.26 -4.50 113.70 117.31 1rj4 s SER 123 Ca -0.06 -0.35 0.23 0.00 0.48 0.00 0.00 55.95 56.24 1rj4 s SER 123 Cb -0.19 -0.65 1.26 0.00 0.10 0.00 0.00 66.02 66.54 1rj4 s SER 123 CO -0.06 -0.88 1.82 -0.81 0.98 0.00 0.00 173.24 174.29 1rj4 n PRO 124 N -1.99 1.11 -2.72 4.02 -0.04 -1.26 -3.76 135.00 130.37 1rj4 n PRO 124 Ca 0.08 -0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 1rj4 n PRO 124 Cb 0.59 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.73 1rj4 n PRO 124 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1rj4 n PHE 125 N -0.67 1.39 -0.27 0.54 -1.74 -1.26 -4.97 117.46 110.48 1rj4 n PHE 125 Ca 0.17 -2.39 0.07 0.00 -0.56 0.00 0.00 57.45 54.73 1rj4 n PHE 125 Cb 0.12 -0.28 0.21 0.00 1.52 0.00 0.00 39.48 41.05 1rj4 n PHE 125 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 1rj4 h SER 126 N 2.71 0.35 -0.52 5.98 0.02 -1.98 -1.62 113.55 118.48 1rj4 h SER 126 Ca -0.08 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1rj4 h SER 126 Cb 1.25 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1rj4 h SER 126 CO 0.34 0.12 0.35 0.00 -1.14 0.00 0.00 176.83 176.50 1rj4 h ALA 127 N 1.57 1.71 -0.22 3.77 0.00 -1.93 1.00 119.26 125.15 1rj4 h ALA 127 Ca 0.44 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 1rj4 h ALA 127 Cb 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rj4 h ALA 127 CO -0.41 0.24 -0.36 -0.07 0.00 0.00 0.00 179.25 178.65 1rj4 h LEU 128 N 0.63 0.70 -0.58 0.00 3.38 -1.71 -1.57 115.31 116.16 1rj4 h LEU 128 Ca 0.21 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1rj4 h LEU 128 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1rj4 h LEU 128 CO -0.05 1.09 -0.00 0.78 0.09 0.00 0.00 178.44 180.35 1rj4 h ASN 129 N 0.33 1.00 -0.50 -0.43 2.35 -1.23 -1.87 115.58 115.23 1rj4 h ASN 129 Ca 0.02 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 1rj4 h ASN 129 Cb 0.95 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1rj4 h ASN 129 CO 0.08 1.07 0.29 0.40 -1.65 0.00 0.00 177.43 177.62 1rj4 h ILE 130 N 0.91 1.16 -0.39 2.81 2.04 -0.82 -1.76 117.51 121.46 1rj4 h ILE 130 Ca 0.16 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1rj4 h ILE 130 Cb 0.56 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1rj4 h ILE 130 CO 0.03 0.17 0.14 0.00 0.00 0.00 0.00 178.15 178.50 1rj4 h ALA 131 N 1.13 0.51 -0.71 1.87 0.00 -1.09 -0.18 119.26 120.79 1rj4 h ALA 131 Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1rj4 h ALA 131 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1rj4 h ALA 131 CO -0.03 0.13 0.46 0.28 0.00 0.00 0.00 179.25 180.09 1rj4 h VAL 132 N 0.49 1.14 0.29 0.00 2.07 -1.24 0.10 116.25 119.09 1rj4 h VAL 132 Ca 0.13 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1rj4 h VAL 132 Cb 0.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1rj4 h VAL 132 CO -0.01 0.17 -0.14 -0.74 0.02 0.00 0.00 177.57 176.87 1rj4 h HIS 133 N 0.91 -0.36 -0.87 1.57 6.17 -1.09 -0.41 115.15 121.07 1rj4 h HIS 133 Ca 0.27 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.32 1rj4 h HIS 133 Cb -0.05 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 29.96 1rj4 h HIS 133 CO -0.03 -0.15 0.46 0.93 0.71 0.00 0.00 177.93 179.85 1rj4 h GLU 134 N -0.51 1.23 -0.41 5.26 5.08 -0.70 -0.32 114.58 124.22 1rj4 h GLU 134 Ca -0.04 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1rj4 h GLU 134 Cb 0.38 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1rj4 h GLU 134 CO 0.07 0.92 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.78 1rj4 h LEU 135 N 1.23 0.74 -0.69 1.33 3.38 -0.95 -1.65 115.31 118.70 1rj4 h LEU 135 Ca 0.31 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1rj4 h LEU 135 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1rj4 h LEU 135 CO -0.05 0.90 0.07 0.28 0.09 0.00 0.00 178.44 179.74 1rj4 h SER 136 N 0.67 1.05 -0.63 -0.43 0.02 -0.44 0.28 113.55 114.06 1rj4 h SER 136 Ca 0.11 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 1rj4 h SER 136 Cb 0.62 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1rj4 h SER 136 CO 0.04 1.05 0.09 0.44 -1.14 0.00 0.00 176.83 177.32 1rj4 h ASP 137 N 1.01 1.01 -0.52 3.07 5.19 -0.83 -0.54 116.42 124.82 1rj4 h ASP 137 Ca 0.19 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1rj4 h ASP 137 Cb 0.48 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1rj4 h ASP 137 CO 0.02 1.02 0.25 0.58 -3.12 0.00 0.00 179.24 177.99 1rj4 h VAL 138 N 0.97 1.20 -0.80 -1.35 2.07 -1.07 -2.29 116.25 114.99 1rj4 h VAL 138 Ca 0.19 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1rj4 h VAL 138 Cb 0.44 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1rj4 h VAL 138 CO 0.01 0.22 0.33 1.23 0.02 0.00 0.00 177.57 179.39 1rj4 h GLY 139 N 0.70 1.26 1.01 2.17 0.00 -0.72 -1.56 103.07 105.93 1rj4 h GLY 139 Ca 0.18 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1rj4 h GLY 139 CO -0.02 0.63 0.43 -0.09 0.00 0.00 0.00 176.54 177.49 1rj4 h ARG 140 N 1.15 1.07 -0.53 4.80 2.43 -0.93 -0.88 114.38 121.49 1rj4 h ARG 140 Ca 0.27 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1rj4 h ARG 140 Cb 0.19 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1rj4 h ARG 140 CO -0.03 0.79 0.06 0.00 -1.51 0.00 0.00 179.97 179.29 1rj4 h ALA 141 N 1.22 0.70 -0.56 2.80 0.00 -1.03 -2.32 119.26 120.07 1rj4 h ALA 141 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rj4 h ALA 141 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1rj4 h ALA 141 CO -0.04 0.46 0.17 0.82 0.00 0.00 0.00 179.25 180.66 1rj4 h ILE 142 N 0.76 1.24 -0.54 0.00 2.04 -0.95 -2.91 117.51 117.16 1rj4 h ILE 142 Ca 0.16 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1rj4 h ILE 142 Cb 0.44 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1rj4 h ILE 142 CO 0.01 0.30 0.28 0.58 0.00 0.00 0.00 178.15 179.33 1rj4 h VAL 143 N 0.78 1.17 0.00 1.67 2.07 -0.98 -2.34 116.25 118.62 1rj4 h VAL 143 Ca 0.18 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1rj4 h VAL 143 Cb 0.28 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1rj4 h VAL 143 CO -0.01 0.19 0.00 0.03 0.02 0.00 0.00 177.57 177.80 1rj4 h ARG 144 N 0.74 0.00 -0.12 1.57 3.08 -1.21 -1.16 114.38 117.29 1rj4 h ARG 144 Ca 0.19 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1rj4 h ARG 144 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1rj4 h ARG 144 CO -0.03 0.00 -0.29 -0.91 -1.07 0.00 0.00 179.97 177.67 1rj4 h ASN 145 N 0.00 0.45 -0.23 7.04 2.35 -1.50 -3.30 115.58 120.39 1rj4 h ASN 145 Ca 0.00 -0.58 0.04 0.00 -0.55 0.00 0.00 56.30 55.21 1rj4 h ASN 145 Cb 0.06 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1rj4 h ASN 145 CO 0.00 0.95 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.64 1rj4 h LEU 146 N -0.03 -0.15 0.00 1.61 3.38 -1.31 -3.54 115.31 115.27 1rj4 h LEU 146 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rj4 h LEU 146 Cb 0.90 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1rj4 h LEU 146 CO 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.55