#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxn n ASP 2 N 0.00 -5.17 0.01 7.83 9.92 -1.26 -4.89 116.55 122.99 2jxn n ASP 2 Ca 0.00 -1.06 -0.14 0.00 -0.53 0.00 0.00 54.79 53.06 2jxn n ASP 2 Cb 0.00 -3.08 -0.03 0.00 -0.64 0.00 0.00 41.12 37.38 2jxn n ASP 2 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2jxn h PRO 3 N -1.98 0.61 0.06 -0.24 0.13 -2.06 -2.86 132.00 125.66 2jxn h PRO 3 Ca -0.67 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 63.95 2jxn h PRO 3 Cb 1.37 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.60 2jxn h PRO 3 CO 0.48 1.13 -0.04 0.93 -0.23 0.00 0.00 178.00 180.27 2jxn h GLU 4 N 0.41 -0.10 0.00 0.86 5.08 -2.01 -1.95 114.58 116.88 2jxn h GLU 4 Ca -0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2jxn h GLU 4 Cb 1.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2jxn h GLU 4 CO 0.15 -0.06 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.84 2jxn h LEU 5 N -0.10 0.00 -1.37 1.33 3.38 -1.95 -1.75 115.31 114.85 2jxn h LEU 5 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jxn h LEU 5 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jxn h LEU 5 CO -0.00 0.18 -0.27 -0.61 0.09 0.00 0.00 178.44 177.82 2jxn h GLN 6 N 0.00 0.07 0.00 1.13 5.75 -1.13 -0.67 115.11 120.25 2jxn h GLN 6 Ca -0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 2jxn h GLN 6 Cb 0.35 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2jxn h GLN 6 CO 0.02 0.34 -0.22 0.00 -2.65 0.00 0.00 178.83 176.32 2jxn h ILE 8 N -1.00 1.04 -0.11 0.00 6.09 -1.42 -0.72 117.51 121.39 2jxn h ILE 8 Ca -0.05 -0.16 -0.09 0.00 -1.37 0.00 0.00 64.86 63.19 2jxn h ILE 8 Cb 0.83 0.53 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 2jxn h ILE 8 CO -0.03 0.08 -0.33 -0.09 -3.07 0.00 0.00 178.15 174.71 2jxn h ARG 9 N 0.47 0.21 -0.17 2.19 2.43 -1.24 0.34 114.38 118.60 2jxn h ARG 9 Ca 0.17 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 2jxn h ARG 9 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2jxn h ARG 9 CO -0.04 0.52 -0.39 0.93 -1.51 0.00 0.00 179.97 179.48 2jxn h GLU 10 N 0.18 0.57 -0.02 0.20 4.39 -1.12 -2.17 114.58 116.61 2jxn h GLU 10 Ca 0.02 -0.38 -0.21 0.00 0.34 0.00 0.00 59.36 59.13 2jxn h GLU 10 Cb 0.68 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2jxn h GLU 10 CO 0.05 1.00 -0.87 0.00 -1.16 0.00 0.00 179.01 178.03 2jxn h ARG 12 N 0.23 0.58 -0.23 0.00 2.43 -0.34 0.53 114.38 117.57 2jxn h ARG 12 Ca -0.06 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 2jxn h ARG 12 Cb 1.48 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 2jxn h ARG 12 CO 0.15 0.61 -0.07 1.25 -1.51 0.00 0.00 179.97 180.40 2jxn h LEU 13 N 0.55 0.46 -0.46 3.80 5.85 -1.36 0.90 115.31 125.04 2jxn h LEU 13 Ca 0.11 -0.37 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 2jxn h LEU 13 Cb 0.38 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2jxn h LEU 13 CO 0.01 0.73 -0.76 0.00 -0.34 0.00 0.00 178.44 178.08 2jxn h ALA 14 N 0.75 0.70 0.15 1.25 0.00 -1.37 -3.26 119.26 117.48 2jxn h ALA 14 Ca 0.06 -0.67 -0.25 0.00 0.00 0.00 0.00 54.91 54.05 2jxn h ALA 14 Cb 0.53 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jxn h ALA 14 CO 0.02 0.89 -1.08 1.96 0.00 0.00 0.00 179.25 181.04 2jxn h GLN 15 N 0.07 0.47 -4.54 0.00 1.08 0.14 -3.50 115.11 108.83 2jxn h GLN 15 Ca -0.02 -0.71 0.00 0.00 -1.45 0.00 0.00 58.65 56.47 2jxn h GLN 15 Cb 1.34 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 2jxn h GLN 15 CO 0.11 1.32 -0.83 -0.11 -0.95 0.00 0.00 178.83 178.37 2jxn n LEU 16 N -3.94 -5.49 -4.82 1.46 7.94 0.31 -4.94 117.00 107.53 2jxn n LEU 16 Ca -0.14 2.67 -0.32 0.00 -1.11 0.00 0.00 56.01 57.12 2jxn n LEU 16 Cb 0.92 -2.98 0.03 0.00 0.53 0.00 0.00 43.42 41.93 2jxn n LEU 16 CO 0.54 -2.48 0.71 -0.75 -1.11 0.00 0.00 177.39 174.31 2jxn s LYS 17 N -0.49 3.09 0.00 1.96 2.20 -1.26 -5.00 119.74 120.23 2jxn s LYS 17 Ca 0.00 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 2jxn s LYS 17 Cb 0.00 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 2jxn s LYS 17 CO 0.00 -0.98 0.00 -1.71 -0.36 0.00 0.00 175.35 172.30 2jxn n ASN 18 N -2.74 0.00 0.00 1.43 4.05 -1.26 -5.10 115.26 111.65 2jxn n ASN 18 Ca 0.08 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.11 2jxn n ASN 18 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 2jxn n ASN 18 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2jxn n ASN 19 N 0.00 0.00 0.00 1.20 3.02 -1.26 -5.06 115.26 113.16 2jxn n ASN 19 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jxn n ASN 19 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jxn n ASN 19 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jxn n SER 20 N 0.00 0.00 0.00 6.41 3.41 -1.26 -4.94 113.62 117.24 2jxn n SER 20 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2jxn n SER 20 Cb 0.00 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.49 2jxn n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jxn n GLY 21 N 0.00 -0.70 3.93 5.00 0.00 -1.26 -4.74 105.19 107.42 2jxn n GLY 21 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 2jxn n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jxn s GLY 22 N -2.20 1.73 0.20 -0.02 0.00 -1.26 -4.48 107.32 101.30 2jxn s GLY 22 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2jxn s GLY 22 CO 0.24 -0.88 0.00 2.41 0.00 0.00 0.00 173.10 174.87 2jxn n THR 23 N -0.70 -3.73 -3.05 0.90 -1.04 -1.26 -4.52 114.28 100.88 2jxn n THR 23 Ca -0.06 1.43 -0.13 0.00 -2.04 0.00 0.00 64.05 63.26 2jxn n THR 23 Cb 0.54 -2.38 -0.02 0.00 -1.82 0.00 0.00 70.33 66.65 2jxn n THR 23 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2jxn n ASN 24 N 0.08 -1.52 -3.73 8.00 2.85 -1.26 -4.88 115.26 114.80 2jxn n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2jxn n ASN 24 Cb 0.00 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.63 2jxn n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jxn n GLY 25 N -0.69 -3.00 2.70 8.20 0.00 -1.26 -5.03 105.19 106.11 2jxn n GLY 25 Ca 0.02 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 2jxn n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jxn n ASP 26 N 0.00 -1.88 0.00 1.61 5.75 -1.26 -4.93 116.55 115.84 2jxn n ASP 26 Ca 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 2jxn n ASP 26 Cb 0.00 1.15 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 2jxn n ASP 26 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2jxn n ARG 27 N -0.44 0.00 -1.45 0.11 1.85 -1.26 -4.95 116.66 110.51 2jxn n ARG 27 Ca -0.04 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.46 2jxn n ARG 27 Cb 0.81 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.29 2jxn n ARG 27 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jxn n ASN 28 N 0.00 7.53 -3.55 2.89 3.02 -1.26 -4.93 115.26 118.96 2jxn n ASN 28 Ca 0.00 -3.79 -0.28 0.00 -0.03 0.00 0.00 54.58 50.48 2jxn n ASN 28 Cb 0.37 -0.96 0.01 0.00 -0.61 0.00 0.00 39.78 38.59 2jxn n ASN 28 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jxn n SER 29 N -0.85 -4.56 0.00 6.41 2.88 -1.26 -4.47 113.62 111.77 2jxn n SER 29 Ca 0.61 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2jxn n SER 29 Cb 0.62 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2jxn n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jxn n GLY 30 N -1.05 0.37 0.00 0.46 0.00 -1.26 -5.07 105.19 98.63 2jxn n GLY 30 Ca -0.22 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2jxn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxn n ALA 31 N 0.24 0.00 -2.66 4.61 0.00 -1.26 -4.77 120.51 116.66 2jxn n ALA 31 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2jxn n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2jxn n ALA 31 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jxn s ASN 32 N -0.60 6.99 0.20 0.00 3.84 -1.26 -5.04 114.94 119.07 2jxn s ASN 32 Ca 0.00 1.23 0.00 0.00 0.21 0.00 0.00 52.86 54.30 2jxn s ASN 32 Cb 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2jxn s ASN 32 CO 0.00 -0.55 0.00 -3.20 -2.79 0.00 0.00 177.10 170.56 2jxn n ASN 33 N 5.90 -0.34 0.00 -4.21 5.15 -1.26 -5.02 115.26 115.49 2jxn n ASN 33 Ca 0.08 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2jxn n ASN 33 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 2jxn n ASN 33 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jxn n GLY 34 N 0.73 -0.49 0.00 8.20 0.00 -1.26 -5.07 105.19 107.30 2jxn n GLY 34 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2jxn n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jxn n GLY 35 N 0.00 -1.30 0.12 -0.02 0.00 -1.26 -4.97 105.19 97.75 2jxn n GLY 35 Ca 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 2jxn n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jxn h GLY 36 N 0.00 0.25 -6.59 -0.02 0.00 -2.05 -3.48 103.07 91.18 2jxn h GLY 36 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 47.33 46.27 2jxn h GLY 36 CO 0.00 0.55 -0.68 1.18 0.00 0.00 0.00 176.54 177.59 2jxn n GLU 37 N -4.03 -0.85 -0.09 4.80 1.02 -1.26 -4.30 120.64 115.93 2jxn n GLU 37 Ca -0.23 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 2jxn n GLU 37 Cb 0.85 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2jxn n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2jxn n ASN 38 N -1.77 -0.62 -3.94 1.62 5.15 -1.26 -5.05 115.26 109.39 2jxn n ASN 38 Ca -0.20 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 53.76 2jxn n ASN 38 Cb 0.47 0.64 -0.13 0.00 -0.53 0.00 0.00 39.78 40.22 2jxn n ASN 38 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2jxn s SER 39 N -3.02 0.35 0.00 1.20 0.01 -1.26 -5.14 113.70 105.84 2jxn s SER 39 Ca 0.00 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2jxn s SER 39 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2jxn s SER 39 CO 0.00 -0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.59 2jxn n ALA 40 N 2.56 0.00 -2.04 1.44 0.00 -1.26 -5.10 120.51 116.11 2jxn n ALA 40 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 2jxn n ALA 40 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2jxn n ALA 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jxn s PRO 41 N -2.00 2.93 -0.38 0.00 0.04 -1.26 -4.82 135.00 129.51 2jxn s PRO 41 Ca 0.00 0.94 0.12 0.00 0.04 0.00 0.00 61.00 62.10 2jxn s PRO 41 Cb 0.00 -4.30 0.38 0.00 0.04 0.00 0.00 34.50 30.62 2jxn s PRO 41 CO 0.00 -2.35 0.98 1.33 0.04 0.00 0.00 177.00 177.00 2jxn n VAL 42 N 7.29 0.22 0.00 -0.36 0.24 -1.26 -4.91 118.33 119.56 2jxn n VAL 42 Ca 0.21 -3.01 0.00 0.00 -2.04 0.00 0.00 64.34 59.51 2jxn n VAL 42 Cb 0.50 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2jxn n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jxn n GLY 43 N 0.05 2.71 0.41 7.63 0.00 -1.26 -4.96 105.19 109.77 2jxn n GLY 43 Ca 0.12 -0.32 0.22 0.00 0.00 0.00 0.00 46.02 46.03 2jxn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxn h ALA 44 N 0.00 2.24 -0.31 4.61 0.00 -1.92 0.86 119.26 124.74 2jxn h ALA 44 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jxn h ALA 44 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jxn h ALA 44 CO 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 179.25 178.29 2jxn h ALA 45 N 1.28 1.26 0.00 0.00 0.00 -1.94 -2.47 119.26 117.38 2jxn h ALA 45 Ca 0.24 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2jxn h ALA 45 Cb 1.44 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2jxn h ALA 45 CO -0.00 0.49 -2.07 0.44 0.00 0.00 0.00 179.25 178.11 2jxn n ILE 46 N -4.22 0.70 0.27 0.00 -5.35 0.22 -4.30 119.36 106.68 2jxn n ILE 46 Ca 0.01 -0.62 0.14 0.00 -0.27 0.00 0.00 62.75 62.01 2jxn n ILE 46 Cb 0.31 -0.28 0.75 0.00 -1.74 0.00 0.00 39.64 38.68 2jxn n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jxn h ALA 47 N 1.24 1.22 0.00 -1.28 0.00 0.42 -1.19 119.26 119.68 2jxn h ALA 47 Ca -0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jxn h ALA 47 Cb 1.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2jxn h ALA 47 CO 0.02 0.13 -0.30 -2.95 0.00 0.00 0.00 179.25 176.15 2jxn h ASN 48 N 0.00 0.00 0.00 0.00 7.08 -1.63 -3.19 115.58 117.84 2jxn h ASN 48 Ca -0.00 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 2jxn h ASN 48 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.59 2jxn h ASN 48 CO 0.01 0.01 0.00 0.49 -2.08 0.00 0.00 177.43 175.87 2jxn n PHE 49 N -2.71 0.00 -3.89 4.14 3.01 -0.45 -4.51 117.46 113.06 2jxn n PHE 49 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 2jxn n PHE 49 Cb 0.50 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.81 2jxn n PHE 49 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jxn s LEU 50 N -1.30 1.93 0.68 4.37 1.02 -1.21 0.92 118.68 125.09 2jxn s LEU 50 Ca 0.12 -0.89 -0.17 0.00 0.02 0.00 0.00 54.13 53.21 2jxn s LEU 50 Cb 0.05 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.25 2jxn s LEU 50 CO 0.09 -0.22 0.69 -0.62 0.02 0.00 0.00 176.35 176.31 2jxn n GLU 51 N 4.82 0.47 0.10 1.70 -0.58 -1.10 -4.70 120.64 121.35 2jxn n GLU 51 Ca -0.12 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 2jxn n GLU 51 Cb 0.46 -1.94 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 2jxn n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jxn h PRO 52 N -0.11 -0.21 -0.21 3.49 0.13 -1.95 0.24 132.00 133.39 2jxn h PRO 52 Ca -0.46 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jxn h PRO 52 Cb 1.36 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 2jxn h PRO 52 CO 0.46 -0.14 0.13 0.37 -0.23 0.00 0.00 178.00 178.58 2jxn h GLN 53 N -0.22 0.28 0.00 0.86 4.15 -2.00 -1.18 115.11 117.00 2jxn h GLN 53 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2jxn h GLN 53 Cb 0.19 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 2jxn h GLN 53 CO -0.00 0.23 -0.03 0.00 -1.93 0.00 0.00 178.83 177.09 2jxn h ALA 54 N 1.04 1.87 -0.41 3.38 0.00 -1.88 -1.72 119.26 121.54 2jxn h ALA 54 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jxn h ALA 54 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jxn h ALA 54 CO -0.01 0.04 0.20 1.25 0.00 0.00 0.00 179.25 180.73 2jxn h LEU 55 N 0.00 0.53 -1.46 0.00 6.46 0.71 -2.20 115.31 119.35 2jxn h LEU 55 Ca -0.00 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 2jxn h LEU 55 Cb 0.06 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 2jxn h LEU 55 CO 0.00 0.50 0.42 -0.33 -0.62 0.00 0.00 178.44 178.42 2jxn h GLU 56 N 0.52 0.66 -0.16 1.25 5.08 -0.81 -2.06 114.58 119.06 2jxn h GLU 56 Ca 0.14 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2jxn h GLU 56 Cb 0.11 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2jxn h GLU 56 CO -0.02 0.44 0.04 -0.09 -1.00 0.00 0.00 179.01 178.38 2jxn h ARG 57 N 0.68 0.11 -0.56 2.33 1.12 -1.25 -1.06 114.38 115.76 2jxn h ARG 57 Ca 0.26 -0.01 0.09 0.00 -1.11 0.00 0.00 59.98 59.22 2jxn h ARG 57 Cb 0.18 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.09 2jxn h ARG 57 CO -0.08 0.07 0.38 -0.07 -3.11 0.00 0.00 179.97 177.16 2jxn h LEU 58 N 0.11 0.33 -0.47 3.80 3.38 -1.17 0.30 115.31 121.58 2jxn h LEU 58 Ca 0.07 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2jxn h LEU 58 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jxn h LEU 58 CO -0.08 0.20 -0.03 0.28 0.09 0.00 0.00 178.44 178.90 2jxn h SER 59 N 0.37 0.85 -0.21 -0.43 0.02 -0.97 -1.40 113.55 111.78 2jxn h SER 59 Ca 0.26 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2jxn h SER 59 Cb 0.53 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2jxn h SER 59 CO -0.07 0.97 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.47 2jxn h ARG 60 N 0.71 0.40 -0.09 3.45 9.65 0.15 -3.17 114.38 125.48 2jxn h ARG 60 Ca 0.13 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2jxn h ARG 60 Cb 0.55 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2jxn h ARG 60 CO 0.03 0.63 -0.07 -0.24 2.80 0.00 0.00 179.97 183.13 2jxn h VAL 61 N 0.14 1.35 -1.09 0.20 3.04 -1.25 -3.04 116.25 115.60 2jxn h VAL 61 Ca 0.06 -1.17 0.32 0.00 -1.01 0.00 0.00 66.70 64.89 2jxn h VAL 61 Cb 0.48 1.93 -0.04 0.00 -2.01 0.00 0.00 31.29 31.65 2jxn h VAL 61 CO 0.02 0.33 0.86 0.00 -1.01 0.00 0.00 177.57 177.76 2jxn h ALA 62 N 0.59 2.99 0.00 3.17 0.00 -1.32 1.09 119.26 125.79 2jxn h ALA 62 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jxn h ALA 62 Cb 0.56 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jxn h ALA 62 CO 0.02 -1.42 -0.15 -0.07 0.00 0.00 0.00 179.25 177.63 2jxn h LEU 63 N 0.00 0.00 0.00 0.00 3.38 -1.50 -3.22 115.31 113.97 2jxn h LEU 63 Ca 0.52 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.13 2jxn h LEU 63 Cb 2.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.92 2jxn h LEU 63 CO -0.01 0.15 -2.18 0.52 0.09 0.00 0.00 178.44 177.02 2jxn n VAL 64 N -3.30 1.45 -3.42 1.22 0.31 0.36 -4.91 118.33 110.03 2jxn n VAL 64 Ca 0.00 -0.27 -0.26 0.00 -0.01 0.00 0.00 64.34 63.81 2jxn n VAL 64 Cb 0.39 -1.95 -0.11 0.00 -0.91 0.00 0.00 33.84 31.27 2jxn n VAL 64 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2jxn s ARG 65 N -2.56 0.61 0.48 5.55 0.52 -0.12 -4.89 118.95 118.54 2jxn s ARG 65 Ca -0.35 -1.30 0.13 0.00 -0.52 0.00 0.00 55.73 53.69 2jxn s ARG 65 Cb 0.12 -1.15 1.11 0.00 0.52 0.00 0.00 34.95 35.55 2jxn s ARG 65 CO 0.45 -1.23 2.10 -0.09 0.02 0.00 0.00 175.30 176.55 2jxn h ARG 66 N 6.84 0.16 -0.52 3.54 2.43 -1.76 -2.42 114.38 122.65 2jxn h ARG 66 Ca 0.08 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2jxn h ARG 66 Cb 0.99 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 2jxn h ARG 66 CO 0.25 0.14 0.18 -0.44 -1.51 0.00 0.00 179.97 178.59 2jxn h ASP 67 N 0.16 0.18 -0.09 -3.80 3.32 -1.91 0.56 116.42 114.84 2jxn h ASP 67 Ca 0.04 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 2jxn h ASP 67 Cb 0.03 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2jxn h ASP 67 CO -0.01 0.13 -0.68 0.03 -1.72 0.00 0.00 179.24 176.99 2jxn h ARG 68 N 0.36 0.72 -0.25 3.56 3.08 -1.86 -2.97 114.38 117.02 2jxn h ARG 68 Ca 0.25 -0.53 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 2jxn h ARG 68 Cb 0.28 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2jxn h ARG 68 CO -0.26 1.15 -0.20 0.00 -1.07 0.00 0.00 179.97 179.59 2jxn h ALA 69 N 0.72 1.18 -0.05 0.04 0.00 -0.94 -2.83 119.26 117.38 2jxn h ALA 69 Ca -0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2jxn h ALA 69 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jxn h ALA 69 CO 0.14 0.52 -0.77 -0.56 0.00 0.00 0.00 179.25 178.58 2jxn h GLN 70 N 0.41 0.32 -0.36 0.00 -0.00 0.10 -2.94 115.11 112.64 2jxn h GLN 70 Ca 0.07 -0.28 -0.08 0.00 -0.00 0.00 0.00 58.65 58.36 2jxn h GLN 70 Cb 0.59 0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 28.12 2jxn h GLN 70 CO 0.04 0.94 -0.09 0.00 -0.00 0.00 0.00 178.83 179.72 2jxn h ALA 71 N 0.97 1.16 -0.11 0.06 0.00 -1.37 -1.77 119.26 118.19 2jxn h ALA 71 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2jxn h ALA 71 Cb 1.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jxn h ALA 71 CO 0.13 0.53 0.03 0.28 0.00 0.00 0.00 179.25 180.23 2jxn h VAL 72 N 0.57 1.17 -0.56 0.00 2.07 -1.43 -0.94 116.25 117.14 2jxn h VAL 72 Ca 0.11 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.17 2jxn h VAL 72 Cb 0.50 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2jxn h VAL 72 CO 0.03 0.16 0.37 -0.33 0.02 0.00 0.00 177.57 177.81 2jxn h GLU 73 N -0.01 0.46 -0.33 1.57 4.39 -1.32 -1.11 114.58 118.22 2jxn h GLU 73 Ca 0.04 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 2jxn h GLU 73 Cb 0.21 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2jxn h GLU 73 CO -0.00 0.31 -0.43 1.15 -1.16 0.00 0.00 179.01 178.88 2jxn h THR 74 N 0.48 1.28 -0.68 1.13 2.02 -0.79 -2.75 112.91 113.59 2jxn h THR 74 Ca 0.24 -1.61 0.07 0.00 0.77 0.00 0.00 66.41 65.89 2jxn h THR 74 Cb 0.35 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 2jxn h THR 74 CO -0.07 0.53 0.36 0.22 0.37 0.00 0.00 175.52 176.93 2jxn h TYR 75 N 0.68 0.66 -0.41 3.16 5.03 0.12 -1.37 116.97 124.84 2jxn h TYR 75 Ca 0.05 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.29 2jxn h TYR 75 Cb 1.01 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.08 2jxn h TYR 75 CO 0.06 0.28 -0.12 1.25 -1.32 0.00 0.00 178.16 178.31 2jxn h LEU 76 N 0.65 0.73 -1.13 2.82 5.85 -1.42 -2.70 115.31 120.11 2jxn h LEU 76 Ca 0.32 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2jxn h LEU 76 Cb 0.26 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2jxn h LEU 76 CO -0.22 0.88 0.59 0.50 -0.34 0.00 0.00 178.44 179.85 2jxn h LYS 77 N 0.67 1.06 -0.27 1.25 3.64 -0.96 0.19 116.57 122.14 2jxn h LYS 77 Ca 0.11 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 2jxn h LYS 77 Cb 0.59 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2jxn h LYS 77 CO 0.04 0.70 -0.32 -0.22 -2.27 0.00 0.00 179.45 177.38 2jxn h LYS 78 N 1.09 0.59 -0.13 1.90 3.64 -1.11 0.29 116.57 122.83 2jxn h LYS 78 Ca 0.37 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2jxn h LYS 78 Cb 0.09 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jxn h LYS 78 CO -0.12 0.84 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.74 2jxn h LEU 79 N 0.50 0.30 -0.48 5.20 4.07 -0.88 -0.11 115.31 123.91 2jxn h LEU 79 Ca 0.06 -0.43 -0.14 0.00 0.08 0.00 0.00 57.88 57.44 2jxn h LEU 79 Cb 0.80 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2jxn h LEU 79 CO 0.07 0.67 -0.30 0.40 -1.08 0.00 0.00 178.44 178.20 2jxn h ILE 80 N -0.07 1.27 0.00 1.22 2.04 -0.63 -1.97 117.51 119.38 2jxn h ILE 80 Ca 0.03 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 2jxn h ILE 80 Cb 0.56 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jxn h ILE 80 CO 0.02 0.50 -0.25 0.00 0.00 0.00 0.00 178.15 178.42 2jxn h ALA 81 N 0.86 1.08 -0.21 1.87 0.00 -0.42 -3.34 119.26 119.11 2jxn h ALA 81 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jxn h ALA 81 Cb 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jxn h ALA 81 CO 0.08 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.89 2jxn n THR 82 N -3.50 0.00 0.00 0.00 -2.24 -0.06 -5.01 114.28 103.47 2jxn n THR 82 Ca -0.00 0.54 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 2jxn n THR 82 Cb 0.41 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2jxn n THR 82 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jxn n ASN 83 N -1.90 0.00 0.32 3.42 2.04 -0.80 -4.98 115.26 113.36 2jxn n ASN 83 Ca 0.00 0.00 0.16 0.00 -0.44 0.00 0.00 54.58 54.30 2jxn n ASN 83 Cb 0.00 0.00 0.84 0.00 -2.53 0.00 0.00 39.78 38.09 2jxn n ASN 83 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 2jxn h ASN 84 N 0.00 0.00 0.00 0.53 2.35 -1.67 -3.43 115.58 113.36 2jxn h ASN 84 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 2jxn h ASN 84 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 2jxn h ASN 84 CO 0.00 0.00 1.27 1.33 -1.65 0.00 0.00 177.43 178.38 2jxn n VAL 85 N -2.84 0.00 -0.60 2.81 0.24 -1.24 -4.16 118.33 112.54 2jxn n VAL 85 Ca -0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2jxn n VAL 85 Cb 0.32 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 2jxn n VAL 85 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2jxn n THR 86 N 4.89 0.00 -4.18 3.34 5.66 -1.26 -5.12 114.28 117.62 2jxn n THR 86 Ca 0.46 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.32 2jxn n THR 86 Cb 0.04 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.74 2jxn n THR 86 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2jxn s HIS 87 N 0.00 1.23 -0.18 1.09 5.04 -1.26 -5.15 115.29 116.06 2jxn s HIS 87 Ca 0.00 -1.37 -0.00 0.00 -1.54 0.00 0.00 55.06 52.15 2jxn s HIS 87 Cb 0.00 -0.41 0.04 0.00 0.04 0.00 0.00 32.58 32.26 2jxn s HIS 87 CO 0.00 -0.87 -0.07 0.15 -2.34 0.00 0.00 174.74 171.61 2jxn s LYS 88 N -3.65 1.61 0.74 2.88 1.02 -1.26 -4.87 119.74 116.21 2jxn s LYS 88 Ca 0.36 -0.65 -0.17 0.00 0.02 0.00 0.00 55.97 55.53 2jxn s LYS 88 Cb 0.03 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 2jxn s LYS 88 CO 0.19 -0.45 -0.00 -0.89 -0.92 0.00 0.00 175.35 173.28 2jxn n ILE 89 N 4.81 0.70 -4.30 2.17 5.41 0.26 -4.75 119.36 123.66 2jxn n ILE 89 Ca -0.13 -0.44 -0.19 0.00 1.00 0.00 0.00 62.75 62.99 2jxn n ILE 89 Cb 0.47 -0.33 -0.08 0.00 -0.71 0.00 0.00 39.64 38.98 2jxn n ILE 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2jxn s THR 90 N -1.99 0.10 0.52 1.39 -1.32 -1.26 -2.72 115.64 110.35 2jxn s THR 90 Ca 0.56 -2.00 0.18 0.00 -1.21 0.00 0.00 61.69 59.22 2jxn s THR 90 Cb -0.34 -2.48 0.30 0.00 -1.51 0.00 0.00 72.50 68.47 2jxn s THR 90 CO 0.67 0.00 2.11 1.05 -2.21 0.00 0.00 174.62 176.25 2jxn h GLU 91 N 2.17 0.01 0.06 7.08 -0.00 -1.93 0.15 114.58 122.12 2jxn h GLU 91 Ca -0.28 -0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 58.82 2jxn h GLU 91 Cb 1.24 -0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.00 2jxn h GLU 91 CO 0.42 0.00 -1.08 0.00 -0.00 0.00 0.00 179.01 178.35 2jxn h ALA 92 N 1.94 0.21 -0.03 1.06 0.00 -1.98 -2.50 119.26 117.94 2jxn h ALA 92 Ca 0.06 -0.76 -0.20 0.00 0.00 0.00 0.00 54.91 54.01 2jxn h ALA 92 Cb 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jxn h ALA 92 CO -0.00 0.81 -0.83 0.93 0.00 0.00 0.00 179.25 180.16 2jxn h GLU 93 N 0.22 0.37 -0.14 0.00 4.39 -1.70 -0.95 114.58 116.76 2jxn h GLU 93 Ca -0.12 -0.35 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 2jxn h GLU 93 Cb 1.75 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.49 2jxn h GLU 93 CO 0.19 1.02 -0.11 0.82 -1.16 0.00 0.00 179.01 179.77 2jxn h ILE 94 N 0.23 1.34 -0.48 3.13 2.04 -1.07 -2.69 117.51 120.01 2jxn h ILE 94 Ca -0.05 -1.24 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 2jxn h ILE 94 Cb 1.44 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 2jxn h ILE 94 CO 0.14 0.36 -0.17 1.62 0.00 0.00 0.00 178.15 180.11 2jxn h VAL 95 N -0.05 1.27 -0.53 1.67 3.04 -1.50 -1.04 116.25 119.11 2jxn h VAL 95 Ca 0.02 -1.31 0.05 0.00 -1.01 0.00 0.00 66.70 64.46 2jxn h VAL 95 Cb 0.63 1.07 -0.05 0.00 -2.01 0.00 0.00 31.29 30.93 2jxn h VAL 95 CO 0.03 0.45 0.27 0.77 -1.01 0.00 0.00 177.57 178.08 2jxn h SER 96 N 0.82 0.38 -0.14 3.17 4.64 -1.15 0.15 113.55 121.41 2jxn h SER 96 Ca 0.12 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 2jxn h SER 96 Cb 0.71 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2jxn h SER 96 CO 0.05 0.26 -0.62 0.40 -0.87 0.00 0.00 176.83 176.06 2jxn h ILE 97 N 0.52 1.29 -0.26 0.95 2.04 -1.39 -2.97 117.51 117.69 2jxn h ILE 97 Ca 0.24 -1.83 0.05 0.00 1.00 0.00 0.00 64.86 64.31 2jxn h ILE 97 Cb 0.15 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2jxn h ILE 97 CO -0.17 0.58 -0.05 0.25 0.00 0.00 0.00 178.15 178.77 2jxn h LEU 98 N 0.56 -0.22 -1.66 1.44 6.46 -0.38 0.19 115.31 121.70 2jxn h LEU 98 Ca -0.01 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 2jxn h LEU 98 Cb 1.22 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.27 2jxn h LEU 98 CO 0.13 -0.07 0.31 -1.13 -0.62 0.00 0.00 178.44 177.06 2jxn h ASN 99 N 0.01 0.36 0.41 1.25 -0.73 -0.73 0.21 115.58 116.37 2jxn h ASN 99 Ca 0.13 -0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.12 2jxn h ASN 99 Cb 0.19 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 2jxn h ASN 99 CO -0.26 0.24 -0.75 1.23 -0.37 0.00 0.00 177.43 177.53 2jxn h GLY 100 N 0.42 0.31 0.95 1.57 0.00 -0.88 -2.39 103.07 103.05 2jxn h GLY 100 Ca 0.20 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 2jxn h GLY 100 CO -0.05 0.40 -0.72 -2.22 0.00 0.00 0.00 176.54 173.95 2jxn h ILE 101 N 0.18 1.36 -0.36 2.60 2.04 0.86 -1.94 117.51 122.26 2jxn h ILE 101 Ca -0.03 -2.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.72 2jxn h ILE 101 Cb 1.32 2.40 -0.02 0.00 -0.74 0.00 0.00 36.82 39.78 2jxn h ILE 101 CO 0.12 0.62 0.01 0.00 0.00 0.00 0.00 178.15 178.90 2jxn h ALA 102 N 0.39 1.35 -0.00 1.87 0.00 -0.69 0.11 119.26 122.28 2jxn h ALA 102 Ca -0.08 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2jxn h ALA 102 Cb 1.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jxn h ALA 102 CO 0.14 0.45 -0.83 0.87 0.00 0.00 0.00 179.25 179.88 2jxn h LYS 103 N 0.53 0.15 0.20 0.00 1.57 -1.44 -3.34 116.57 114.24 2jxn h LYS 103 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2jxn h LYS 103 Cb 0.33 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2jxn h LYS 103 CO 0.01 0.90 -0.10 1.96 -0.57 0.00 0.00 179.45 181.65 2jxn h GLN 104 N 0.09 -0.26 -6.12 3.15 1.08 -0.82 -3.47 115.11 108.75 2jxn h GLN 104 Ca -0.03 0.02 -0.58 0.00 -1.45 0.00 0.00 58.65 56.60 2jxn h GLN 104 Cb 1.45 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 28.82 2jxn h GLN 104 CO 0.12 0.01 -0.66 -0.65 -0.95 0.00 0.00 178.83 176.70 2jxn s GLN 105 N -2.87 2.03 -0.32 1.46 -1.52 0.32 -5.09 119.66 113.67 2jxn s GLN 105 Ca -0.08 -1.66 -0.00 0.00 -1.95 0.00 0.00 55.36 51.66 2jxn s GLN 105 Cb 0.00 -1.95 0.13 0.00 -0.22 0.00 0.00 33.01 30.98 2jxn s GLN 105 CO 0.29 0.25 0.27 -0.80 -0.25 0.00 0.00 175.29 175.05 2jxn s ASN 106 N -3.65 2.09 0.00 5.90 -0.87 -1.26 -4.23 114.94 112.92 2jxn s ASN 106 Ca 0.33 -1.29 0.00 0.00 -1.57 0.00 0.00 52.86 50.32 2jxn s ASN 106 Cb -0.03 0.22 0.00 0.00 -0.02 0.00 0.00 41.25 41.42 2jxn s ASN 106 CO 0.18 -0.35 0.00 -1.54 -2.57 0.00 0.00 177.10 172.82 2jxn n SER 107 N 4.83 0.11 0.00 -1.22 3.41 -1.26 -5.14 113.62 114.34 2jxn n SER 107 Ca 0.03 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 2jxn n SER 107 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2jxn n SER 107 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2jxn n GLN 108 N -0.92 0.00 0.00 4.33 -0.06 -1.26 -5.12 117.38 114.35 2jxn n GLN 108 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2jxn n GLN 108 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2jxn n GLN 108 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2jxn n ASN 109 N 0.00 0.00 -3.35 1.69 4.05 -1.26 -4.94 115.26 111.45 2jxn n ASN 109 Ca 0.00 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.73 2jxn n ASN 109 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 2jxn n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2jxn n ASN 110 N -2.18 -6.12 -4.03 1.20 5.03 -1.26 -4.90 115.26 102.99 2jxn n ASN 110 Ca 0.00 -0.04 -0.21 0.00 0.87 0.00 0.00 54.58 55.20 2jxn n ASN 110 Cb 0.00 -2.68 -0.15 0.00 -1.02 0.00 0.00 39.78 35.93 2jxn n ASN 110 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2jxn s SER 111 N -1.90 1.36 0.00 6.41 0.01 -1.26 -4.71 113.70 113.61 2jxn s SER 111 Ca 0.32 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2jxn s SER 111 Cb -0.04 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2jxn s SER 111 CO 0.85 0.09 0.00 0.29 0.41 0.00 0.00 173.24 174.88 2jxn n LYS 112 N 3.18 0.00 0.05 12.44 5.02 -1.26 -4.81 118.16 132.77 2jxn n LYS 112 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2jxn n LYS 112 Cb 0.54 -2.61 -0.07 0.00 -0.02 0.00 0.00 35.03 32.88 2jxn n LYS 112 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2jxn h ILE 113 N 0.00 0.57 0.00 -0.18 1.08 -1.99 -3.29 117.51 113.71 2jxn h ILE 113 Ca 0.00 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.43 2jxn h ILE 113 Cb 0.00 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2jxn h ILE 113 CO 0.00 0.32 0.00 2.30 -0.69 0.00 0.00 178.15 180.08 2jxn n ILE 114 N -2.95 0.96 -0.26 -0.67 -5.35 -1.26 -3.00 119.36 106.83 2jxn n ILE 114 Ca -0.08 0.24 0.20 0.00 -0.27 0.00 0.00 62.75 62.84 2jxn n ILE 114 Cb 0.82 -1.01 0.50 0.00 -1.74 0.00 0.00 39.64 38.21 2jxn n ILE 114 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2jxn h PHE 115 N 0.00 0.58 -0.01 4.28 0.04 -1.97 -3.55 116.94 116.31 2jxn h PHE 115 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2jxn h PHE 115 Cb 0.20 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2jxn h PHE 115 CO 0.00 0.14 0.00 0.39 -0.60 0.00 0.00 178.31 178.24