#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj1 s ASN 1 N 0.00 4.63 -0.22 1.61 3.04 -1.26 -5.04 114.94 117.70 1rj1 s ASN 1 Ca 0.00 -0.10 0.11 0.00 0.04 0.00 0.00 52.86 52.91 1rj1 s ASN 1 Cb 0.00 -0.46 0.43 0.00 -1.54 0.00 0.00 41.25 39.68 1rj1 s ASN 1 CO 0.00 -1.66 1.21 -0.46 -3.04 0.00 0.00 177.10 173.16 1rj1 n ASN 2 N -2.75 2.23 0.04 -4.21 6.94 -1.26 -4.77 115.26 111.47 1rj1 n ASN 2 Ca 0.12 -3.83 0.02 0.00 -0.02 0.00 0.00 54.58 50.87 1rj1 n ASN 2 Cb 0.60 -0.49 0.38 0.00 -2.36 0.00 0.00 39.78 37.91 1rj1 n ASN 2 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1rj1 h LEU 3 N 1.20 0.40 -0.13 -4.53 5.85 -1.96 -1.26 115.31 114.88 1rj1 h LEU 3 Ca 0.06 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1rj1 h LEU 3 Cb 1.11 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1rj1 h LEU 3 CO 0.13 0.41 -0.01 0.58 -0.34 0.00 0.00 178.44 179.21 1rj1 h VAL 4 N 0.43 1.26 0.14 1.05 2.07 -1.90 -1.32 116.25 117.98 1rj1 h VAL 4 Ca 0.10 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1rj1 h VAL 4 Cb 0.18 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1rj1 h VAL 4 CO -0.00 0.25 -0.13 -0.33 0.02 0.00 0.00 177.57 177.38 1rj1 h GLU 5 N -0.05 -0.28 -0.09 1.57 4.39 -1.86 -0.66 114.58 117.61 1rj1 h GLU 5 Ca 0.04 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1rj1 h GLU 5 Cb 0.39 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1rj1 h GLU 5 CO 0.01 -0.19 -0.44 1.79 -1.16 0.00 0.00 179.01 179.02 1rj1 h THR 6 N -0.29 1.32 -0.41 1.13 1.35 -1.25 -1.39 112.91 113.37 1rj1 h THR 6 Ca 0.00 -1.58 -0.04 0.00 -0.55 0.00 0.00 66.41 64.24 1rj1 h THR 6 Cb 0.27 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1rj1 h THR 6 CO -0.03 0.47 0.09 0.74 -0.25 0.00 0.00 175.52 176.54 1rj1 h THR 7 N 0.17 1.23 0.00 6.82 2.02 -1.13 -2.90 112.91 119.13 1rj1 h THR 7 Ca 0.01 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1rj1 h THR 7 Cb 0.85 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1rj1 h THR 7 CO 0.07 0.28 -0.34 0.00 0.37 0.00 0.00 175.52 175.90 1rj1 h LYS 9 N 0.00 0.00 -1.15 0.00 1.57 -1.09 -2.70 116.57 113.20 1rj1 h LYS 9 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1rj1 h LYS 9 Cb 0.64 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.75 1rj1 h LYS 9 CO 0.04 0.14 0.47 0.09 -0.57 0.00 0.00 179.45 179.62 1rj1 n ASN 10 N -3.41 4.82 -4.31 0.86 3.02 -0.69 -4.88 115.26 110.66 1rj1 n ASN 10 Ca -0.01 -3.12 -0.16 0.00 -0.03 0.00 0.00 54.58 51.26 1rj1 n ASN 10 Cb 0.32 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 38.54 1rj1 n ASN 10 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rj1 s THR 11 N -2.46 0.60 -1.22 3.41 -4.23 -1.02 -4.69 115.64 106.02 1rj1 s THR 11 Ca 0.38 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.11 1rj1 s THR 11 Cb 0.31 -2.59 0.28 0.00 1.34 0.00 0.00 72.50 71.84 1rj1 s THR 11 CO 0.04 -0.05 1.70 -2.65 -0.54 0.00 0.00 174.62 173.12 1rj1 n PRO 12 N -0.45 0.16 -3.23 3.99 -0.02 -1.26 -4.32 135.00 129.87 1rj1 n PRO 12 Ca -0.01 0.10 -0.19 0.00 -2.02 0.00 0.00 63.50 61.39 1rj1 n PRO 12 Cb 0.66 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.57 1rj1 n PRO 12 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1rj1 s ASN 13 N -2.78 0.67 0.15 2.55 3.04 -1.26 -5.03 114.94 112.28 1rj1 s ASN 13 Ca 0.16 -2.35 -0.23 0.00 0.04 0.00 0.00 52.86 50.47 1rj1 s ASN 13 Cb 0.14 0.40 0.04 0.00 -1.54 0.00 0.00 41.25 40.29 1rj1 s ASN 13 CO 0.36 -0.16 1.62 0.22 -3.04 0.00 0.00 177.10 176.09 1rj1 h TYR 14 N 5.85 -0.76 -0.61 0.43 3.20 -1.75 -0.69 116.97 122.64 1rj1 h TYR 14 Ca 0.16 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1rj1 h TYR 14 Cb 1.00 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 1rj1 h TYR 14 CO 0.24 -0.35 0.13 1.96 -1.64 0.00 0.00 178.16 178.50 1rj1 h GLN 15 N -0.27 0.96 -0.32 1.82 1.08 -1.96 0.75 115.11 117.17 1rj1 h GLN 15 Ca 0.15 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 1rj1 h GLN 15 Cb 0.50 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1rj1 h GLN 15 CO -0.44 0.86 -0.01 1.25 -0.95 0.00 0.00 178.83 179.54 1rj1 h LEU 16 N 0.91 0.57 -0.28 1.46 5.85 -1.94 -1.76 115.31 120.11 1rj1 h LEU 16 Ca 0.19 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1rj1 h LEU 16 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1rj1 h LEU 16 CO 0.00 0.75 0.18 0.00 -0.34 0.00 0.00 178.44 179.03 1rj1 h LEU 18 N 0.38 0.03 -0.94 0.00 5.85 -0.74 -0.48 115.31 119.41 1rj1 h LEU 18 Ca 0.10 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1rj1 h LEU 18 Cb -0.03 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1rj1 h LEU 18 CO -0.02 0.07 0.01 0.11 -0.34 0.00 0.00 178.44 178.27 1rj1 h LYS 19 N -0.02 0.79 0.02 1.25 1.57 -1.26 -1.94 116.57 116.98 1rj1 h LYS 19 Ca 0.01 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1rj1 h LYS 19 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1rj1 h LYS 19 CO -0.00 0.79 -0.01 1.15 -0.57 0.00 0.00 179.45 180.80 1rj1 h THR 20 N 0.74 1.26 -0.60 -0.16 2.02 -0.98 -2.79 112.91 112.40 1rj1 h THR 20 Ca 0.15 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 1rj1 h THR 20 Cb 0.43 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1rj1 h THR 20 CO 0.02 0.22 0.19 -0.07 0.37 0.00 0.00 175.52 176.25 1rj1 h LEU 21 N -0.40 0.87 -2.12 2.58 3.38 -1.03 -2.64 115.31 115.95 1rj1 h LEU 21 Ca -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1rj1 h LEU 21 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rj1 h LEU 21 CO 0.00 0.84 -0.02 -0.07 0.09 0.00 0.00 178.44 179.29 1rj1 h LEU 22 N 0.85 0.00 0.00 1.67 3.38 -1.39 -2.16 115.31 117.66 1rj1 h LEU 22 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rj1 h LEU 22 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1rj1 h LEU 22 CO -0.01 0.02 0.00 -1.20 0.09 0.00 0.00 178.44 177.34 1rj1 n SER 23 N -3.15 0.00 -4.29 -0.43 7.64 -1.00 -4.60 113.62 107.79 1rj1 n SER 23 Ca -0.01 0.19 -0.33 0.00 1.01 0.00 0.00 58.87 59.73 1rj1 n SER 23 Cb 0.21 -0.36 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 1rj1 n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rj1 s ASP 24 N -2.72 3.82 0.58 6.43 -1.08 -0.81 -5.00 116.67 117.88 1rj1 s ASP 24 Ca 0.14 -0.43 0.37 0.00 -0.52 0.00 0.00 52.55 52.11 1rj1 s ASP 24 Cb 0.12 -1.60 2.01 0.00 -1.46 0.00 0.00 42.92 41.99 1rj1 s ASP 24 CO 0.30 0.08 2.13 0.11 0.52 0.00 0.00 175.17 178.31 1rj1 h LYS 25 N 7.32 0.00 0.00 4.34 1.57 -1.85 -1.62 116.57 126.33 1rj1 h LYS 25 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1rj1 h LYS 25 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1rj1 h LYS 25 CO 0.58 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 180.00 1rj1 n ARG 26 N -2.83 0.19 0.02 3.15 1.74 -1.26 -2.61 116.66 115.06 1rj1 n ARG 26 Ca -0.02 0.47 0.11 0.00 -0.77 0.00 0.00 57.85 57.63 1rj1 n ARG 26 Cb 0.10 -1.90 0.45 0.00 -1.02 0.00 0.00 32.46 30.10 1rj1 n ARG 26 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rj1 n SER 27 N -2.27 0.10 -0.23 0.55 3.41 -0.61 -1.30 113.62 113.27 1rj1 n SER 27 Ca 0.01 0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 59.07 1rj1 n SER 27 Cb 0.19 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 1rj1 n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rj1 h ALA 28 N 2.69 0.83 0.00 7.33 0.00 -1.73 -3.34 119.26 125.04 1rj1 h ALA 28 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rj1 h ALA 28 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rj1 h ALA 28 CO 0.00 0.51 0.00 0.25 0.00 0.00 0.00 179.25 180.01 1rj1 n THR 29 N -4.36 0.00 -1.96 0.00 -2.24 -1.23 -4.75 114.28 99.74 1rj1 n THR 29 Ca 0.04 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 1rj1 n THR 29 Cb 0.22 1.27 0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1rj1 n THR 29 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rj1 s GLY 30 N -0.09 2.85 0.68 3.38 0.00 -0.42 -5.04 107.32 108.68 1rj1 s GLY 30 Ca 0.00 1.19 -0.07 0.00 0.00 0.00 0.00 44.72 45.84 1rj1 s GLY 30 CO 0.00 1.70 0.93 2.09 0.00 0.00 0.00 173.10 177.82 1rj1 n ASP 31 N -0.75 0.52 0.07 1.64 5.68 -1.26 -4.77 116.55 117.69 1rj1 n ASP 31 Ca 0.09 -1.61 0.06 0.00 -0.50 0.00 0.00 54.79 52.82 1rj1 n ASP 31 Cb 0.46 -0.67 0.49 0.00 -1.14 0.00 0.00 41.12 40.26 1rj1 n ASP 31 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1rj1 h ILE 32 N -1.14 1.06 -0.59 2.12 2.04 -1.97 -1.16 117.51 117.87 1rj1 h ILE 32 Ca -0.30 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1rj1 h ILE 32 Cb 0.95 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1rj1 h ILE 32 CO 0.26 0.07 0.18 0.74 0.00 0.00 0.00 178.15 179.40 1rj1 h THR 33 N 0.38 1.24 -0.69 -0.27 2.02 -1.95 0.49 112.91 114.13 1rj1 h THR 33 Ca 0.11 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1rj1 h THR 33 Cb -0.01 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1rj1 h THR 33 CO -0.02 0.31 0.19 0.74 0.37 0.00 0.00 175.52 177.11 1rj1 h THR 34 N 0.84 1.25 -0.81 3.16 2.02 -1.67 -0.59 112.91 117.12 1rj1 h THR 34 Ca 0.19 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1rj1 h THR 34 Cb 0.29 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1rj1 h THR 34 CO -0.01 0.35 0.35 -0.07 0.37 0.00 0.00 175.52 176.51 1rj1 h LEU 35 N 1.03 1.10 -0.49 2.58 3.38 -0.78 -0.60 115.31 121.54 1rj1 h LEU 35 Ca 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rj1 h LEU 35 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1rj1 h LEU 35 CO -0.00 0.96 0.30 0.00 0.09 0.00 0.00 178.44 179.78 1rj1 h ALA 36 N 1.19 0.62 -0.45 1.53 0.00 -0.42 -1.81 119.26 119.91 1rj1 h ALA 36 Ca 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1rj1 h ALA 36 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rj1 h ALA 36 CO -0.03 0.10 0.11 -0.07 0.00 0.00 0.00 179.25 179.37 1rj1 h LEU 37 N 0.65 0.61 -0.48 0.00 3.38 -0.64 -1.50 115.31 117.34 1rj1 h LEU 37 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rj1 h LEU 37 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1rj1 h LEU 37 CO -0.03 0.60 0.27 0.40 0.09 0.00 0.00 178.44 179.77 1rj1 h ILE 38 N 0.65 1.16 -0.72 1.22 2.04 -0.80 -1.60 117.51 119.46 1rj1 h ILE 38 Ca 0.15 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1rj1 h ILE 38 Cb 0.23 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1rj1 h ILE 38 CO -0.00 0.17 0.29 -0.03 0.00 0.00 0.00 178.15 178.58 1rj1 h MET 39 N 0.63 1.07 -0.80 2.37 4.05 -0.83 -1.19 114.93 120.23 1rj1 h MET 39 Ca 0.17 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1rj1 h MET 39 Cb 0.03 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 1rj1 h MET 39 CO -0.03 0.87 0.38 0.28 0.23 0.00 0.00 176.91 178.64 1rj1 h VAL 40 N 1.02 1.25 -0.25 -5.77 2.07 -1.11 -1.16 116.25 112.30 1rj1 h VAL 40 Ca 0.24 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1rj1 h VAL 40 Cb 0.20 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1rj1 h VAL 40 CO -0.02 0.30 -0.19 0.44 0.02 0.00 0.00 177.57 178.12 1rj1 h ASP 41 N 1.15 0.43 -0.63 0.57 3.32 -0.68 -0.45 116.42 120.13 1rj1 h ASP 41 Ca 0.28 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1rj1 h ASP 41 Cb 0.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1rj1 h ASP 41 CO -0.03 0.64 0.07 0.00 -1.72 0.00 0.00 179.24 178.19 1rj1 h ALA 42 N 1.40 0.91 -0.45 3.45 0.00 -0.53 -0.89 119.26 123.15 1rj1 h ALA 42 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1rj1 h ALA 42 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rj1 h ALA 42 CO 0.04 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.83 1rj1 h ILE 43 N 0.99 1.25 -0.89 0.00 2.04 -0.74 -2.61 117.51 117.55 1rj1 h ILE 43 Ca 0.19 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1rj1 h ILE 43 Cb 0.48 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1rj1 h ILE 43 CO 0.02 0.32 0.59 0.50 0.00 0.00 0.00 178.15 179.58 1rj1 h LYS 44 N 0.62 1.15 -0.52 2.37 3.64 -0.88 0.23 116.57 123.18 1rj1 h LYS 44 Ca 0.14 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1rj1 h LYS 44 Cb 0.40 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1rj1 h LYS 44 CO 0.01 0.76 0.25 0.00 -2.27 0.00 0.00 179.45 178.21 1rj1 h ALA 45 N 1.34 0.67 -0.48 5.00 0.00 -1.00 0.17 119.26 124.96 1rj1 h ALA 45 Ca 0.33 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1rj1 h ALA 45 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1rj1 h ALA 45 CO -0.08 0.22 -0.21 0.87 0.00 0.00 0.00 179.25 180.05 1rj1 h LYS 46 N 0.69 0.98 -0.42 0.00 1.79 -1.06 -2.05 116.57 116.49 1rj1 h LYS 46 Ca 0.18 -0.41 -0.10 0.00 -2.18 0.00 0.00 60.65 58.14 1rj1 h LYS 46 Cb 0.11 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1rj1 h LYS 46 CO -0.02 1.08 -0.13 0.00 -1.08 0.00 0.00 179.45 179.29 1rj1 h ALA 47 N 0.91 0.97 -0.58 3.86 0.00 -0.25 -0.69 119.26 123.49 1rj1 h ALA 47 Ca 0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1rj1 h ALA 47 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1rj1 h ALA 47 CO 0.06 0.61 0.14 -0.91 0.00 0.00 0.00 179.25 179.15 1rj1 h ASN 48 N 0.70 0.87 -0.87 0.00 2.35 -0.52 -0.92 115.58 117.18 1rj1 h ASN 48 Ca 0.11 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1rj1 h ASN 48 Cb 0.62 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1rj1 h ASN 48 CO 0.04 0.88 0.44 1.56 -1.65 0.00 0.00 177.43 178.70 1rj1 h GLN 49 N 0.83 1.25 -0.60 0.81 4.20 -1.02 -2.44 115.11 118.13 1rj1 h GLN 49 Ca 0.18 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1rj1 h GLN 49 Cb 0.34 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1rj1 h GLN 49 CO 0.00 0.94 -0.03 0.00 -0.67 0.00 0.00 178.83 179.08 1rj1 h ALA 50 N 1.24 0.81 -0.51 3.87 0.00 -0.78 -1.47 119.26 122.42 1rj1 h ALA 50 Ca 0.30 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1rj1 h ALA 50 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1rj1 h ALA 50 CO -0.04 0.68 0.11 0.00 0.00 0.00 0.00 179.25 179.99 1rj1 h ALA 51 N 0.98 0.68 -0.05 0.00 0.00 -1.01 -0.25 119.26 119.61 1rj1 h ALA 51 Ca 0.17 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1rj1 h ALA 51 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rj1 h ALA 51 CO 0.04 0.39 -0.62 -0.24 0.00 0.00 0.00 179.25 178.82 1rj1 h VAL 52 N 0.72 1.40 -0.64 0.00 3.04 -1.39 -1.64 116.25 117.74 1rj1 h VAL 52 Ca 0.16 -2.04 -0.02 0.00 -1.01 0.00 0.00 66.70 63.79 1rj1 h VAL 52 Cb 0.36 2.05 -0.03 0.00 -2.01 0.00 0.00 31.29 31.67 1rj1 h VAL 52 CO 0.01 0.60 0.31 0.74 -1.01 0.00 0.00 177.57 178.22 1rj1 h THR 53 N 0.14 1.22 -0.38 3.17 2.02 -0.88 -0.14 112.91 118.06 1rj1 h THR 53 Ca -0.01 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1rj1 h THR 53 Cb 1.12 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1rj1 h THR 53 CO 0.09 0.25 0.08 0.40 0.37 0.00 0.00 175.52 176.72 1rj1 h ILE 54 N 0.88 1.23 -0.96 3.11 2.04 -0.90 -1.33 117.51 121.58 1rj1 h ILE 54 Ca 0.22 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1rj1 h ILE 54 Cb 0.11 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1rj1 h ILE 54 CO -0.03 0.27 0.61 0.28 0.00 0.00 0.00 178.15 179.29 1rj1 h SER 55 N 0.46 1.12 -0.61 1.72 0.02 -0.91 -0.85 113.55 114.51 1rj1 h SER 55 Ca 0.12 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1rj1 h SER 55 Cb 0.32 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1rj1 h SER 55 CO 0.00 0.83 0.13 0.11 -1.14 0.00 0.00 176.83 176.76 1rj1 h LYS 56 N 1.31 0.98 -0.78 3.45 1.57 -0.73 0.13 116.57 122.51 1rj1 h LYS 56 Ca 0.35 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1rj1 h LYS 56 Cb -0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1rj1 h LYS 56 CO -0.07 0.91 0.29 -0.07 -0.57 0.00 0.00 179.45 179.94 1rj1 h LEU 57 N 0.89 1.09 -0.63 2.94 3.38 -0.71 -2.63 115.31 119.65 1rj1 h LEU 57 Ca 0.19 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1rj1 h LEU 57 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1rj1 h LEU 57 CO 0.01 0.98 -0.54 0.03 0.09 0.00 0.00 178.44 179.00 1rj1 h ARG 58 N 1.14 0.00 -0.17 1.13 3.08 -0.88 -3.12 114.38 115.55 1rj1 h ARG 58 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 1rj1 h ARG 58 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1rj1 h ARG 58 CO -0.02 0.54 -0.24 1.25 -1.07 0.00 0.00 179.97 180.44 1rj1 h HIS 59 N 0.00 0.34 -0.12 3.04 2.76 -0.40 -2.95 115.15 117.81 1rj1 h HIS 59 Ca -0.01 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1rj1 h HIS 59 Cb 1.13 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1rj1 h HIS 59 CO 0.00 0.53 0.00 0.43 -1.30 0.00 0.00 177.93 177.59 1rj1 n SER 60 N -4.16 1.08 -2.74 3.26 7.64 -1.03 -4.93 113.62 112.75 1rj1 n SER 60 Ca -0.01 -2.05 -0.07 0.00 1.01 0.00 0.00 58.87 57.75 1rj1 n SER 60 Cb 0.36 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 1rj1 n SER 60 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rj1 n ASN 61 N -0.04 -7.40 -4.72 6.43 3.02 -1.11 -4.96 115.26 106.47 1rj1 n ASN 61 Ca 0.05 0.45 -0.32 0.00 -0.03 0.00 0.00 54.58 54.72 1rj1 n ASN 61 Cb 0.21 -4.99 0.11 0.00 -0.61 0.00 0.00 39.78 34.50 1rj1 n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rj1 s PRO 62 N -2.50 1.90 0.69 3.52 0.04 -1.23 -4.98 135.00 132.44 1rj1 s PRO 62 Ca 0.21 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 1rj1 s PRO 62 Cb -0.06 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1rj1 s PRO 62 CO 0.70 -1.97 1.15 -1.25 0.04 0.00 0.00 177.00 175.67 1rj1 s PRO 63 N -4.39 2.49 0.36 0.56 0.04 -1.26 -4.77 135.00 128.02 1rj1 s PRO 63 Ca 0.68 1.55 0.13 0.00 0.04 0.00 0.00 61.00 63.40 1rj1 s PRO 63 Cb -0.23 -1.90 0.96 0.00 0.04 0.00 0.00 34.50 33.37 1rj1 s PRO 63 CO 0.51 -1.52 1.77 0.00 0.04 0.00 0.00 177.00 177.80 1rj1 h ALA 64 N -0.13 1.98 0.00 8.56 0.00 -2.02 0.09 119.26 127.75 1rj1 h ALA 64 Ca -0.47 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1rj1 h ALA 64 Cb 1.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rj1 h ALA 64 CO 0.52 -0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 1rj1 h ALA 65 N 1.66 1.37 0.00 0.00 0.00 -2.04 -2.98 119.26 117.27 1rj1 h ALA 65 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1rj1 h ALA 65 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rj1 h ALA 65 CO -0.36 0.10 -1.36 0.91 0.00 0.00 0.00 179.25 178.54 1rj1 n TRP 66 N -3.72 0.02 -0.01 0.00 7.02 -0.01 -4.57 117.44 116.17 1rj1 n TRP 66 Ca -0.02 0.01 -0.09 0.00 -1.02 0.00 0.00 57.50 56.37 1rj1 n TRP 66 Cb 0.18 -0.21 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 1rj1 n TRP 66 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1rj1 h LYS 67 N 0.00 -0.23 0.34 -0.99 1.57 -1.32 0.07 116.57 116.00 1rj1 h LYS 67 Ca 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1rj1 h LYS 67 Cb 0.70 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1rj1 h LYS 67 CO 0.00 -0.15 -0.16 0.78 -0.57 0.00 0.00 179.45 179.35 1rj1 h GLY 68 N -0.24 -0.47 0.65 3.86 0.00 -1.81 -2.47 103.07 102.59 1rj1 h GLY 68 Ca 0.11 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.69 1rj1 h GLY 68 CO -0.30 -0.17 0.53 -2.55 0.00 0.00 0.00 176.54 174.05 1rj1 h PRO 69 N -0.62 0.91 -0.69 4.80 0.11 -1.78 -1.45 132.00 133.29 1rj1 h PRO 69 Ca -0.05 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1rj1 h PRO 69 Cb 0.45 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1rj1 h PRO 69 CO 0.08 0.60 0.17 -0.07 -0.21 0.00 0.00 178.00 178.57 1rj1 h LEU 70 N 0.94 1.02 -0.62 2.35 3.38 -0.95 0.26 115.31 121.70 1rj1 h LEU 70 Ca 0.40 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1rj1 h LEU 70 Cb 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1rj1 h LEU 70 CO -0.20 0.98 -0.05 0.50 0.09 0.00 0.00 178.44 179.76 1rj1 h LYS 71 N 1.03 1.04 -0.33 1.13 3.64 -1.03 0.01 116.57 122.05 1rj1 h LYS 71 Ca 0.22 -0.35 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 1rj1 h LYS 71 Cb 0.35 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1rj1 h LYS 71 CO 0.00 1.04 -0.42 -0.91 -2.27 0.00 0.00 179.45 176.89 1rj1 h ASN 72 N 0.94 0.95 -0.05 4.20 -0.26 -0.91 -2.54 115.58 117.90 1rj1 h ASN 72 Ca 0.16 -0.49 -0.09 0.00 -0.56 0.00 0.00 56.30 55.32 1rj1 h ASN 72 Cb 0.61 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1rj1 h ASN 72 CO 0.04 1.25 -0.23 0.00 -1.06 0.00 0.00 177.43 177.42 1rj1 h ALA 74 N 1.34 1.20 -0.34 0.00 0.00 -0.76 -1.39 119.26 119.33 1rj1 h ALA 74 Ca 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1rj1 h ALA 74 Cb 0.63 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rj1 h ALA 74 CO 0.05 0.67 -0.04 0.35 0.00 0.00 0.00 179.25 180.27 1rj1 h PHE 75 N 1.30 0.69 -0.69 0.00 3.04 -1.08 -1.44 116.94 118.76 1rj1 h PHE 75 Ca 0.34 -0.13 0.10 0.00 3.98 0.00 0.00 57.97 62.25 1rj1 h PHE 75 Cb -0.05 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.22 1rj1 h PHE 75 CO 0.01 0.76 0.32 0.77 -2.02 0.00 0.00 178.31 178.15 1rj1 h SER 76 N 0.41 0.39 1.28 0.41 0.02 -0.78 -1.04 113.55 114.25 1rj1 h SER 76 Ca 0.09 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1rj1 h SER 76 Cb 0.51 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1rj1 h SER 76 CO 0.02 0.22 -0.44 1.88 -1.14 0.00 0.00 176.83 177.38 1rj1 h TYR 77 N 0.54 0.00 -0.49 3.45 0.05 -1.18 -1.56 116.97 117.79 1rj1 h TYR 77 Ca 0.34 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.04 1rj1 h TYR 77 Cb 0.39 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1rj1 h TYR 77 CO -0.12 0.44 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.18 1rj1 h LYS 78 N 0.00 0.88 -0.08 4.88 3.64 -0.34 -1.40 116.57 124.15 1rj1 h LYS 78 Ca -0.00 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1rj1 h LYS 78 Cb 1.19 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1rj1 h LYS 78 CO 0.06 0.93 0.02 0.28 -2.27 0.00 0.00 179.45 178.46 1rj1 h VAL 79 N 0.74 1.19 -0.22 2.00 2.07 -1.08 0.01 116.25 120.97 1rj1 h VAL 79 Ca 0.14 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1rj1 h VAL 79 Cb 0.54 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1rj1 h VAL 79 CO 0.03 0.17 -0.11 0.40 0.02 0.00 0.00 177.57 178.08 1rj1 h ILE 80 N -0.09 0.66 0.00 4.57 2.04 -1.20 0.14 117.51 123.62 1rj1 h ILE 80 Ca 0.02 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.71 1rj1 h ILE 80 Cb 0.25 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1rj1 h ILE 80 CO 0.00 0.00 -0.85 -0.07 0.00 0.00 0.00 178.15 177.23 1rj1 h LEU 81 N -0.08 0.01 0.01 1.44 3.38 -1.23 -0.37 115.31 118.46 1rj1 h LEU 81 Ca 0.12 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.74 1rj1 h LEU 81 Cb 0.26 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1rj1 h LEU 81 CO -0.27 0.85 -2.10 0.41 0.09 0.00 0.00 178.44 177.42 1rj1 n THR 82 N -3.54 1.52 0.00 0.22 -1.04 -0.02 -4.51 114.28 106.91 1rj1 n THR 82 Ca -0.01 -0.79 -0.04 0.00 -2.04 0.00 0.00 64.05 61.18 1rj1 n THR 82 Cb 0.81 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 1rj1 n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rj1 n ALA 83 N -2.74 2.53 0.35 2.41 0.00 0.39 -4.65 120.51 118.80 1rj1 n ALA 83 Ca -0.28 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 52.78 1rj1 n ALA 83 Cb 1.09 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 20.73 1rj1 n ALA 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rj1 h SER 84 N -0.24 -0.74 -0.45 0.00 0.02 -1.26 -1.15 113.55 109.73 1rj1 h SER 84 Ca -0.06 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1rj1 h SER 84 Cb 0.54 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1rj1 h SER 84 CO -0.03 -0.46 -0.18 -0.07 -1.14 0.00 0.00 176.83 174.95 1rj1 h LEU 85 N -0.97 0.96 -1.20 5.07 3.38 -1.32 -2.13 115.31 119.11 1rj1 h LEU 85 Ca -0.09 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1rj1 h LEU 85 Cb 0.70 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1rj1 h LEU 85 CO 0.15 1.12 0.26 -0.65 0.09 0.00 0.00 178.44 179.40 1rj1 h PRO 86 N 0.83 0.82 -0.48 1.13 0.11 -1.78 -0.64 132.00 132.00 1rj1 h PRO 86 Ca 0.12 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1rj1 h PRO 86 Cb 0.73 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1rj1 h PRO 86 CO 0.06 0.65 0.24 0.93 -0.21 0.00 0.00 178.00 179.67 1rj1 h GLU 87 N 0.82 0.68 -0.61 1.05 5.08 -1.00 -1.41 114.58 119.20 1rj1 h GLU 87 Ca 0.20 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1rj1 h GLU 87 Cb 0.11 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1rj1 h GLU 87 CO -0.02 0.56 0.19 0.00 -1.00 0.00 0.00 179.01 178.74 1rj1 h ALA 88 N 1.08 0.79 -0.44 3.43 0.00 -0.80 -0.96 119.26 122.36 1rj1 h ALA 88 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1rj1 h ALA 88 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1rj1 h ALA 88 CO -0.02 0.46 0.16 0.82 0.00 0.00 0.00 179.25 180.67 1rj1 h ILE 89 N 0.86 1.21 -0.42 0.00 2.04 -0.94 -1.26 117.51 119.00 1rj1 h ILE 89 Ca 0.20 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1rj1 h ILE 89 Cb 0.28 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1rj1 h ILE 89 CO -0.01 0.24 0.23 -0.08 0.00 0.00 0.00 178.15 178.54 1rj1 h GLU 90 N 0.57 0.57 -0.73 2.37 4.81 -1.10 -0.78 114.58 120.29 1rj1 h GLU 90 Ca 0.15 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1rj1 h GLU 90 Cb 0.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1rj1 h GLU 90 CO -0.01 0.45 0.26 0.00 -0.73 0.00 0.00 179.01 178.98 1rj1 h ALA 91 N 1.09 0.96 -0.34 2.92 0.00 -0.99 -1.08 119.26 121.81 1rj1 h ALA 91 Ca 0.15 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1rj1 h ALA 91 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1rj1 h ALA 91 CO -0.02 0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 179.52 1rj1 h LEU 92 N 1.07 0.81 -0.92 0.00 3.38 -1.01 0.01 115.31 118.65 1rj1 h LEU 92 Ca 0.24 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1rj1 h LEU 92 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1rj1 h LEU 92 CO -0.01 1.07 -0.11 0.74 0.09 0.00 0.00 178.44 180.22 1rj1 h THR 93 N 0.55 1.25 -0.00 0.22 2.02 -1.04 -2.94 112.91 112.97 1rj1 h THR 93 Ca 0.07 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1rj1 h THR 93 Cb 0.81 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1rj1 h THR 93 CO 0.07 0.38 -0.23 0.29 0.37 0.00 0.00 175.52 176.39 1rj1 n LYS 94 N -4.18 0.17 -1.74 6.66 5.02 -0.42 -4.96 118.16 118.71 1rj1 n LYS 94 Ca 0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1rj1 n LYS 94 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1rj1 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rj1 n GLY 95 N 1.45 0.54 2.33 0.72 0.00 -0.80 -4.99 105.19 104.43 1rj1 n GLY 95 Ca 0.08 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1rj1 n GLY 95 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rj1 n ASP 96 N 1.79 2.11 0.27 1.61 -0.08 -0.07 -4.97 116.55 117.20 1rj1 n ASP 96 Ca 0.00 -3.11 0.18 0.00 -1.51 0.00 0.00 54.79 50.35 1rj1 n ASP 96 Cb 0.42 -0.65 0.93 0.00 2.34 0.00 0.00 41.12 44.16 1rj1 n ASP 96 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rj1 h PRO 97 N 4.02 0.00 -0.19 -0.67 0.13 -1.89 -2.69 132.00 130.71 1rj1 h PRO 97 Ca 0.14 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.32 1rj1 h PRO 97 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1rj1 h PRO 97 CO 0.66 0.00 0.18 1.57 -0.23 0.00 0.00 178.00 180.18 1rj1 h LYS 98 N 0.00 0.00 0.00 0.86 2.10 -1.93 0.35 116.57 117.95 1rj1 h LYS 98 Ca 0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 1rj1 h LYS 98 Cb 0.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1rj1 h LYS 98 CO -0.00 0.00 -0.07 0.74 -2.00 0.00 0.00 179.45 178.12 1rj1 h PHE 99 N 0.00 0.00 -0.01 0.07 0.04 -1.84 -3.02 116.94 112.18 1rj1 h PHE 99 Ca 0.09 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.66 1rj1 h PHE 99 Cb 0.44 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1rj1 h PHE 99 CO 0.00 0.07 -0.87 0.00 -0.60 0.00 0.00 178.31 176.91 1rj1 h ALA 100 N 1.93 0.50 -0.81 2.45 0.00 -0.49 -3.07 119.26 119.78 1rj1 h ALA 100 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1rj1 h ALA 100 Cb 0.89 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1rj1 h ALA 100 CO 0.01 0.87 0.53 1.49 0.00 0.00 0.00 179.25 182.16 1rj1 h GLU 101 N 0.15 1.06 -0.77 0.00 4.81 -1.33 -2.32 114.58 116.17 1rj1 h GLU 101 Ca -0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1rj1 h GLU 101 Cb 1.49 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1rj1 h GLU 101 CO 0.14 0.70 0.50 -0.44 -0.73 0.00 0.00 179.01 179.18 1rj1 h ASP 102 N 1.09 0.84 0.37 1.04 3.45 -1.48 -1.22 116.42 120.51 1rj1 h ASP 102 Ca 0.30 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.67 1rj1 h ASP 102 Cb -0.12 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.44 1rj1 h ASP 102 CO -0.07 0.59 -0.35 1.23 -1.57 0.00 0.00 179.24 179.07 1rj1 h GLY 103 N 0.99 0.00 1.11 2.75 0.00 -1.37 -2.10 103.07 104.45 1rj1 h GLY 103 Ca 0.30 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.42 1rj1 h GLY 103 CO -0.10 0.00 -0.73 -0.33 0.00 0.00 0.00 176.54 175.38 1rj1 h MET 104 N 0.00 0.73 -0.83 4.80 2.86 -0.88 -0.71 114.93 120.90 1rj1 h MET 104 Ca -0.00 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 1rj1 h MET 104 Cb 0.64 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1rj1 h MET 104 CO 0.05 1.22 0.54 0.28 1.06 0.00 0.00 176.91 180.05 1rj1 h VAL 105 N 0.44 1.22 0.04 -2.22 2.07 -1.12 -1.04 116.25 115.65 1rj1 h VAL 105 Ca -0.05 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1rj1 h VAL 105 Cb 1.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1rj1 h VAL 105 CO 0.15 0.22 -0.02 1.23 0.02 0.00 0.00 177.57 179.17 1rj1 h GLY 106 N 1.14 -0.06 1.84 2.17 0.00 -1.25 -1.58 103.07 105.32 1rj1 h GLY 106 Ca 0.30 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1rj1 h GLY 106 CO -0.06 -0.02 -0.31 1.48 0.00 0.00 0.00 176.54 177.62 1rj1 h SER 107 N -0.23 0.19 -0.34 0.19 4.64 -1.01 -0.78 113.55 116.21 1rj1 h SER 107 Ca -0.01 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1rj1 h SER 107 Cb 0.21 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1rj1 h SER 107 CO 0.01 0.50 0.09 -1.28 -0.87 0.00 0.00 176.83 175.28 1rj1 h SER 108 N 0.17 0.50 -0.31 4.97 0.87 -1.05 -2.05 113.55 116.65 1rj1 h SER 108 Ca 0.02 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.25 1rj1 h SER 108 Cb 0.64 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1rj1 h SER 108 CO 0.05 0.59 -0.25 1.23 -0.53 0.00 0.00 176.83 177.92 1rj1 h GLY 109 N 0.39 0.79 1.34 5.77 0.00 -1.00 -2.93 103.07 107.43 1rj1 h GLY 109 Ca 0.11 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 1rj1 h GLY 109 CO -0.00 0.69 0.08 -0.55 0.00 0.00 0.00 176.54 176.76 1rj1 h ASP 110 N 0.48 0.77 -0.33 0.19 3.32 -1.14 0.70 116.42 120.41 1rj1 h ASP 110 Ca 0.06 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 1rj1 h ASP 110 Cb 0.81 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1rj1 h ASP 110 CO 0.06 0.79 -0.25 0.00 -1.72 0.00 0.00 179.24 178.12 1rj1 h ALA 111 N 1.31 0.81 -0.36 3.45 0.00 -1.39 -1.25 119.26 121.83 1rj1 h ALA 111 Ca 0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1rj1 h ALA 111 Cb 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rj1 h ALA 111 CO 0.01 0.65 -0.43 1.96 0.00 0.00 0.00 179.25 181.43 1rj1 h GLN 112 N 0.71 0.92 -0.62 0.00 4.20 -1.27 -2.52 115.11 116.53 1rj1 h GLN 112 Ca 0.09 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 1rj1 h GLN 112 Cb 0.78 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1rj1 h GLN 112 CO 0.06 1.16 0.23 1.49 -0.67 0.00 0.00 178.83 181.11 1rj1 h GLU 113 N 0.73 0.91 -0.24 1.46 4.81 -0.73 -1.71 114.58 119.82 1rj1 h GLU 113 Ca 0.05 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1rj1 h GLU 113 Cb 1.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1rj1 h GLU 113 CO 0.10 0.76 0.04 0.00 -0.73 0.00 0.00 179.01 179.18 1rj1 h GLU 115 N 0.20 0.99 0.00 0.00 4.57 -1.16 -1.70 114.58 117.47 1rj1 h GLU 115 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1rj1 h GLU 115 Cb 0.31 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1rj1 h GLU 115 CO 0.00 0.65 0.00 0.39 -1.18 0.00 0.00 179.01 178.88 1rj1 n GLU 116 N -4.60 0.21 0.26 1.92 1.02 -0.67 -2.80 120.64 115.97 1rj1 n GLU 116 Ca 0.14 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 1rj1 n GLU 116 Cb 0.21 -1.88 0.69 0.00 -0.02 0.00 0.00 31.44 30.44 1rj1 n GLU 116 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1rj1 h TYR 117 N 0.00 0.00 -3.82 -0.32 0.05 -0.56 -3.44 116.97 108.88 1rj1 h TYR 117 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 1rj1 h TYR 117 Cb 0.40 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1rj1 h TYR 117 CO 0.00 0.12 0.21 -0.06 -1.05 0.00 0.00 178.16 177.38 1rj1 s PHE 118 N -3.98 3.45 0.64 4.88 0.08 -1.12 -4.69 117.98 117.24 1rj1 s PHE 118 Ca -0.02 1.45 -0.16 0.00 0.12 0.00 0.00 56.93 58.33 1rj1 s PHE 118 Cb 0.12 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1rj1 s PHE 118 CO 0.58 0.10 1.12 0.15 -0.10 0.00 0.00 175.22 177.06 1rj1 s LYS 119 N -2.72 2.87 -0.08 0.44 1.02 -1.26 -1.90 119.74 118.11 1rj1 s LYS 119 Ca 0.54 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1rj1 s LYS 119 Cb -0.12 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1rj1 s LYS 119 CO 0.18 -1.21 0.00 0.41 -0.92 0.00 0.00 175.35 173.81 1rj1 n GLY 120 N -0.35 0.24 4.43 -3.33 0.00 -1.26 -3.69 105.19 101.24 1rj1 n GLY 120 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1rj1 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rj1 n SER 121 N -0.65 0.00 -4.71 1.61 3.41 -0.80 -4.91 113.62 107.58 1rj1 n SER 121 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 1rj1 n SER 121 Cb 0.34 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1rj1 n SER 121 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1rj1 s LYS 122 N 0.00 4.33 0.40 4.33 2.20 -1.24 -4.28 119.74 125.47 1rj1 s LYS 122 Ca 0.00 0.47 0.07 0.00 -0.36 0.00 0.00 55.97 56.16 1rj1 s LYS 122 Cb 0.00 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1rj1 s LYS 122 CO 0.00 0.11 0.55 -1.54 -0.36 0.00 0.00 175.35 174.11 1rj1 s SER 123 N 0.71 5.73 0.00 1.43 1.04 -1.26 -4.77 113.70 116.58 1rj1 s SER 123 Ca 0.26 -0.34 0.22 0.00 0.48 0.00 0.00 55.95 56.57 1rj1 s SER 123 Cb -0.15 -0.82 1.20 0.00 0.10 0.00 0.00 66.02 66.35 1rj1 s SER 123 CO 0.11 -0.69 1.71 -0.81 0.98 0.00 0.00 173.24 174.54 1rj1 n PRO 124 N -1.81 0.47 -2.63 4.02 -0.04 -1.26 -3.08 135.00 130.66 1rj1 n PRO 124 Ca 0.06 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1rj1 n PRO 124 Cb 0.59 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1rj1 n PRO 124 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1rj1 n PHE 125 N -1.17 1.65 -0.27 0.54 -1.74 -1.26 -4.92 117.46 110.29 1rj1 n PHE 125 Ca 0.13 -2.29 0.11 0.00 -0.56 0.00 0.00 57.45 54.83 1rj1 n PHE 125 Cb 0.14 -0.27 0.36 0.00 1.52 0.00 0.00 39.48 41.23 1rj1 n PHE 125 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1rj1 h SER 126 N 2.57 0.69 -0.81 5.98 4.64 -1.94 -1.99 113.55 122.68 1rj1 h SER 126 Ca -0.01 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1rj1 h SER 126 Cb 1.30 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 1rj1 h SER 126 CO 0.37 0.37 0.47 0.00 -0.87 0.00 0.00 176.83 177.17 1rj1 h ALA 127 N 1.59 1.30 -0.21 5.18 0.00 -1.91 0.31 119.26 125.52 1rj1 h ALA 127 Ca 0.43 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1rj1 h ALA 127 Cb 0.63 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1rj1 h ALA 127 CO -0.19 0.59 -0.31 -0.07 0.00 0.00 0.00 179.25 179.26 1rj1 h LEU 128 N 1.13 0.65 -0.72 0.00 3.38 -1.78 -1.04 115.31 116.93 1rj1 h LEU 128 Ca 0.29 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1rj1 h LEU 128 Cb -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1rj1 h LEU 128 CO -0.05 1.04 0.31 0.78 0.09 0.00 0.00 178.44 180.60 1rj1 h ASN 129 N 0.27 0.98 -0.66 -0.43 2.35 -1.05 -0.85 115.58 116.19 1rj1 h ASN 129 Ca 0.02 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1rj1 h ASN 129 Cb 0.90 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1rj1 h ASN 129 CO 0.07 0.87 0.17 0.40 -1.65 0.00 0.00 177.43 177.29 1rj1 h ILE 130 N 1.02 1.26 -0.34 2.81 2.04 -0.93 -1.36 117.51 122.01 1rj1 h ILE 130 Ca 0.24 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1rj1 h ILE 130 Cb 0.18 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1rj1 h ILE 130 CO -0.02 0.35 0.16 0.00 0.00 0.00 0.00 178.15 178.64 1rj1 h ALA 131 N 1.07 0.43 -0.62 1.87 0.00 -0.69 0.15 119.26 121.47 1rj1 h ALA 131 Ca 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rj1 h ALA 131 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1rj1 h ALA 131 CO 0.00 -0.01 0.41 0.28 0.00 0.00 0.00 179.25 179.93 1rj1 h VAL 132 N 0.41 1.16 0.31 0.00 2.07 -0.98 0.02 116.25 119.24 1rj1 h VAL 132 Ca 0.12 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1rj1 h VAL 132 Cb 0.12 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1rj1 h VAL 132 CO -0.01 0.15 -0.15 -0.74 0.02 0.00 0.00 177.57 176.84 1rj1 h HIS 133 N 0.84 -0.39 -0.38 1.57 6.17 -0.98 -0.56 115.15 121.43 1rj1 h HIS 133 Ca 0.23 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.27 1rj1 h HIS 133 Cb -0.10 0.13 -0.02 0.00 2.52 0.00 0.00 27.41 29.95 1rj1 h HIS 133 CO -0.03 -0.20 0.15 0.93 0.71 0.00 0.00 177.93 179.49 1rj1 h GLU 134 N -0.48 0.56 -0.52 5.26 5.08 -0.55 -0.96 114.58 122.97 1rj1 h GLU 134 Ca -0.04 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1rj1 h GLU 134 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1rj1 h GLU 134 CO 0.07 0.55 0.04 -0.07 -1.00 0.00 0.00 179.01 178.59 1rj1 h LEU 135 N 0.46 0.82 -0.66 1.33 3.38 -1.03 -1.75 115.31 117.87 1rj1 h LEU 135 Ca 0.12 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1rj1 h LEU 135 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1rj1 h LEU 135 CO -0.01 0.87 0.22 0.28 0.09 0.00 0.00 178.44 179.89 1rj1 h SER 136 N 0.81 0.94 0.07 -0.43 0.02 -0.78 0.14 113.55 114.31 1rj1 h SER 136 Ca 0.16 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1rj1 h SER 136 Cb 0.43 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1rj1 h SER 136 CO 0.02 0.89 -0.31 0.44 -1.14 0.00 0.00 176.83 176.73 1rj1 h ASP 137 N 0.94 0.37 -0.45 3.07 3.32 -0.87 0.08 116.42 122.88 1rj1 h ASP 137 Ca 0.21 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1rj1 h ASP 137 Cb 0.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1rj1 h ASP 137 CO -0.01 0.66 0.00 0.58 -1.72 0.00 0.00 179.24 178.76 1rj1 h VAL 138 N 0.32 1.26 -0.81 -1.35 2.07 -0.99 -2.57 116.25 114.18 1rj1 h VAL 138 Ca 0.04 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1rj1 h VAL 138 Cb 0.70 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1rj1 h VAL 138 CO 0.05 0.36 0.46 1.23 0.02 0.00 0.00 177.57 179.69 1rj1 h GLY 139 N 0.63 1.19 0.93 2.17 0.00 -0.26 -0.35 103.07 107.38 1rj1 h GLY 139 Ca 0.13 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.95 1rj1 h GLY 139 CO 0.02 0.51 0.46 3.21 0.00 0.00 0.00 176.54 180.74 1rj1 h ARG 140 N 1.11 0.89 -0.46 4.80 3.08 -0.84 -1.21 114.38 121.75 1rj1 h ARG 140 Ca 0.29 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 1rj1 h ARG 140 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1rj1 h ARG 140 CO -0.05 0.59 -0.18 0.00 -1.07 0.00 0.00 179.97 179.26 1rj1 h ALA 141 N 1.28 0.82 -0.42 0.04 0.00 -1.03 -2.01 119.26 117.94 1rj1 h ALA 141 Ca 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rj1 h ALA 141 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1rj1 h ALA 141 CO -0.08 0.65 0.18 0.82 0.00 0.00 0.00 179.25 180.81 1rj1 h ILE 142 N 0.78 1.19 -0.85 0.00 2.04 -0.69 -2.98 117.51 117.01 1rj1 h ILE 142 Ca 0.11 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1rj1 h ILE 142 Cb 0.71 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1rj1 h ILE 142 CO 0.05 0.22 0.56 0.58 0.00 0.00 0.00 178.15 179.56 1rj1 h VAL 143 N 0.54 1.19 -0.73 1.67 2.07 -1.12 -2.15 116.25 117.72 1rj1 h VAL 143 Ca 0.14 -0.38 0.21 0.00 0.82 0.00 0.00 66.70 67.49 1rj1 h VAL 143 Cb 0.17 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1rj1 h VAL 143 CO -0.01 0.20 0.59 0.03 0.02 0.00 0.00 177.57 178.40 1rj1 h ARG 144 N 1.12 0.00 -0.25 1.57 2.47 -1.20 0.20 114.38 118.29 1rj1 h ARG 144 Ca 0.32 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.00 1rj1 h ARG 144 Cb -0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1rj1 h ARG 144 CO -0.08 0.00 -0.00 -0.91 0.56 0.00 0.00 179.97 179.53 1rj1 h ASN 145 N 0.00 0.34 0.66 7.04 2.35 -1.43 -2.25 115.58 122.29 1rj1 h ASN 145 Ca 0.35 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1rj1 h ASN 145 Cb 1.52 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.80 1rj1 h ASN 145 CO -0.00 0.40 0.00 0.18 -1.65 0.00 0.00 177.43 176.36 1rj1 n LEU 146 N -4.33 0.00 -0.76 1.61 4.77 0.70 -5.15 117.00 113.83 1rj1 n LEU 146 Ca 0.01 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.46 1rj1 n LEU 146 Cb 0.21 -0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.23 1rj1 n LEU 146 CO 0.37 -0.01 0.73 0.18 -1.33 0.00 0.00 177.39 177.33