#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 -1.05 -0.19 7.83 5.68 -1.26 -4.98 116.55 122.57 2jxn n ASP 2 Ca 0.00 -3.01 0.30 0.00 -0.50 0.00 0.00 54.79 51.59 2jxn n ASP 2 Cb 0.00 0.43 0.71 0.00 -1.14 0.00 0.00 41.12 41.12 2jxn n ASP 2 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 2jxn h PRO 3 N 3.85 0.00 -0.41 0.11 0.11 -1.99 0.53 132.00 134.21 2jxn h PRO 3 Ca -0.02 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.10 2jxn h PRO 3 Cb 0.96 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2jxn h PRO 3 CO 0.40 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 179.38 2jxn h GLU 4 N 0.00 0.53 -0.04 1.05 4.39 -2.00 -1.26 114.58 117.25 2jxn h GLU 4 Ca 0.45 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.94 2jxn h GLU 4 Cb 2.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.54 2jxn h GLU 4 CO -0.00 0.35 -0.77 -0.07 -1.16 0.00 0.00 179.01 177.36 2jxn h LEU 5 N 0.55 0.38 -0.27 1.33 3.38 -1.34 -2.80 115.31 116.55 2jxn h LEU 5 Ca 0.15 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jxn h LEU 5 Cb -0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2jxn h LEU 5 CO -0.04 1.02 0.12 -0.61 0.09 0.00 0.00 178.44 179.02 2jxn h GLN 6 N 0.21 0.25 -0.20 1.13 4.15 -1.04 0.67 115.11 120.29 2jxn h GLN 6 Ca -0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2jxn h GLN 6 Cb 1.35 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 2jxn h GLN 6 CO 0.13 0.17 0.05 0.00 -1.93 0.00 0.00 178.83 177.24 2jxn h ILE 8 N 0.13 1.19 -0.02 0.00 2.04 -1.23 -1.67 117.51 117.95 2jxn h ILE 8 Ca 0.06 -0.78 -0.16 0.00 1.00 0.00 0.00 64.86 64.98 2jxn h ILE 8 Cb 0.28 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2jxn h ILE 8 CO 0.00 0.26 -0.72 -0.09 0.00 0.00 0.00 178.15 177.60 2jxn h ARG 9 N 0.46 0.15 -0.18 2.37 2.43 0.62 -0.95 114.38 119.28 2jxn h ARG 9 Ca 0.10 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2jxn h ARG 9 Cb 0.34 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2jxn h ARG 9 CO 0.01 0.81 -0.59 0.93 -1.51 0.00 0.00 179.97 179.62 2jxn h GLU 10 N 0.10 0.59 0.03 0.20 4.39 -0.34 -2.84 114.58 116.71 2jxn h GLU 10 Ca -0.02 -0.39 -0.22 0.00 0.34 0.00 0.00 59.36 59.07 2jxn h GLU 10 Cb 1.27 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 2jxn h GLU 10 CO 0.11 1.01 -1.02 0.00 -1.16 0.00 0.00 179.01 177.95 2jxn h ARG 12 N 0.03 0.70 0.16 0.00 2.43 -1.12 -2.67 114.38 113.90 2jxn h ARG 12 Ca -0.04 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2jxn h ARG 12 Cb 1.75 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2jxn h ARG 12 CO 0.14 0.61 -0.08 1.25 -1.51 0.00 0.00 179.97 180.39 2jxn h LEU 13 N 0.68 -0.18 -2.10 3.80 6.46 -1.53 -2.51 115.31 119.94 2jxn h LEU 13 Ca 0.16 -0.15 0.09 0.00 -0.12 0.00 0.00 57.88 57.86 2jxn h LEU 13 Cb 0.21 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2jxn h LEU 13 CO -0.01 0.05 0.30 0.00 -0.62 0.00 0.00 178.44 178.16 2jxn h ALA 14 N 0.40 2.05 0.00 1.25 0.00 -1.56 0.64 119.26 122.05 2jxn h ALA 14 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jxn h ALA 14 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jxn h ALA 14 CO 0.04 -0.46 0.00 1.04 0.00 0.00 0.00 179.25 179.86 2jxn n GLN 15 N -3.94 0.02 -3.65 0.00 1.13 -0.95 -4.93 117.38 105.08 2jxn n GLN 15 Ca 0.05 0.19 -0.21 0.00 -1.94 0.00 0.00 57.00 55.09 2jxn n GLN 15 Cb 0.46 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.27 2jxn n GLN 15 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jxn n LEU 16 N -1.59 -2.83 -1.65 1.08 4.77 0.22 -4.54 117.00 112.46 2jxn n LEU 16 Ca 0.04 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2jxn n LEU 16 Cb 0.23 -1.94 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 2jxn n LEU 16 CO 0.18 0.08 -0.49 0.29 -1.33 0.00 0.00 177.39 176.13 2jxn n LYS 17 N -2.37 -4.43 -0.18 3.23 5.02 -1.26 -4.57 118.16 113.60 2jxn n LYS 17 Ca -0.25 3.38 0.04 0.00 -2.02 0.00 0.00 58.31 59.46 2jxn n LYS 17 Cb 0.66 -4.07 0.12 0.00 -0.02 0.00 0.00 35.03 31.72 2jxn n LYS 17 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jxn n ASN 18 N -1.95 1.75 -3.67 4.39 2.04 -1.26 -4.89 115.26 111.68 2jxn n ASN 18 Ca 0.00 -2.10 -0.23 0.00 -0.44 0.00 0.00 54.58 51.82 2jxn n ASN 18 Cb 0.30 -0.29 0.05 0.00 -2.53 0.00 0.00 39.78 37.31 2jxn n ASN 18 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2jxn n ASN 19 N 0.24 -2.89 0.00 0.53 5.03 -1.26 -4.91 115.26 112.00 2jxn n ASN 19 Ca 0.09 -0.72 0.00 0.00 0.87 0.00 0.00 54.58 54.81 2jxn n ASN 19 Cb 0.33 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.67 2jxn n ASN 19 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jxn n SER 20 N -3.02 3.67 -0.11 6.41 2.88 -1.26 -5.08 113.62 117.12 2jxn n SER 20 Ca -0.18 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.12 2jxn n SER 20 Cb 0.63 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 2jxn n SER 20 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jxn n GLY 21 N 0.00 -0.70 6.02 0.46 0.00 -1.26 -5.08 105.19 104.62 2jxn n GLY 21 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jxn n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jxn n GLY 22 N 1.43 -0.43 2.15 -0.02 0.00 -1.26 -4.92 105.19 102.14 2jxn n GLY 22 Ca -0.39 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 2jxn n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jxn n THR 23 N 0.00 -0.26 -2.62 2.61 -1.04 -1.26 -4.80 114.28 106.90 2jxn n THR 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jxn n THR 23 Cb 0.00 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 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 -1.01 0.00 0.00 8.00 5.15 -1.26 -5.06 115.26 121.08 2jxn n ASN 24 Ca -0.13 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 2jxn n ASN 24 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2jxn n ASN 24 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jxn n GLY 25 N 0.00 0.70 2.18 8.20 0.00 -1.26 -4.89 105.19 110.12 2jxn n GLY 25 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2jxn n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jxn n ASP 26 N -0.03 6.05 -4.58 1.61 -0.08 -1.26 -4.87 116.55 113.38 2jxn n ASP 26 Ca 0.00 -2.44 -0.42 0.00 -1.51 0.00 0.00 54.79 50.42 2jxn n ASP 26 Cb 0.17 -1.35 -0.02 0.00 2.34 0.00 0.00 41.12 42.26 2jxn n ASP 26 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jxn s ARG 27 N 1.71 3.48 0.00 -0.67 0.52 -1.26 -4.84 118.95 117.89 2jxn s ARG 27 Ca 0.62 0.46 0.26 0.00 -0.52 0.00 0.00 55.73 56.55 2jxn s ARG 27 Cb 0.24 -4.04 1.32 0.00 0.52 0.00 0.00 34.95 32.99 2jxn s ARG 27 CO -0.02 -1.71 1.89 0.09 0.02 0.00 0.00 175.30 175.57 2jxn n ASN 28 N 8.78 0.00 -3.62 0.23 5.03 -1.26 -4.94 115.26 119.48 2jxn n ASN 28 Ca 0.11 -0.05 -0.25 0.00 0.87 0.00 0.00 54.58 55.26 2jxn n ASN 28 Cb 0.49 -0.30 0.01 0.00 -1.02 0.00 0.00 39.78 38.96 2jxn n ASN 28 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2jxn n SER 29 N -1.30 -4.47 -1.82 6.41 7.64 -1.26 -4.84 113.62 113.98 2jxn n SER 29 Ca 0.12 -0.77 -0.05 0.00 1.01 0.00 0.00 58.87 59.19 2jxn n SER 29 Cb 0.22 -1.45 0.29 0.00 -1.01 0.00 0.00 64.21 62.26 2jxn n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxn n GLY 30 N -1.30 3.83 0.00 0.23 0.00 -1.26 -4.96 105.19 101.73 2jxn n GLY 30 Ca -0.26 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.30 0.00 -3.56 4.61 0.00 -1.26 -5.18 120.51 114.82 2jxn n ALA 31 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 2jxn n ALA 31 Cb 1.32 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.69 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 -0.80 -0.69 0.00 0.00 3.84 -1.26 -5.17 114.94 110.86 2jxn s ASN 32 Ca 0.00 1.28 0.00 0.00 0.21 0.00 0.00 52.86 54.35 2jxn s ASN 32 Cb 0.00 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 2jxn s ASN 32 CO 0.00 -0.22 0.00 -0.46 -2.79 0.00 0.00 177.10 173.63 2jxn n ASN 33 N 3.04 0.00 0.00 -4.21 0.23 -1.26 -5.16 115.26 107.90 2jxn n ASN 33 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 2jxn n ASN 33 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2jxn n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jxn n GLY 34 N -0.30 2.20 3.50 4.83 0.00 -1.26 -5.18 105.19 108.99 2jxn n GLY 34 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2jxn n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jxn s GLY 35 N 0.00 -0.50 0.00 -0.02 0.00 -1.26 -5.08 107.32 100.46 2jxn s GLY 35 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 44.72 46.71 2jxn s GLY 35 CO 0.00 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.66 2jxn n GLY 36 N 3.87 0.15 3.77 0.20 0.00 -1.26 -5.14 105.19 106.77 2jxn n GLY 36 Ca -0.19 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2jxn n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jxn s GLU 37 N 0.00 3.69 0.06 1.61 2.02 -1.26 -4.77 118.70 120.05 2jxn s GLU 37 Ca 0.00 1.77 0.00 0.00 0.02 0.00 0.00 54.97 56.76 2jxn s GLU 37 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2jxn s GLU 37 CO 0.00 -0.61 0.00 -1.71 0.02 0.00 0.00 175.26 172.96 2jxn n ASN 38 N -0.61 -2.86 -0.36 -0.19 2.85 -1.26 -5.13 115.26 107.70 2jxn n ASN 38 Ca 0.08 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 2jxn n ASN 38 Cb 0.48 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.68 2jxn n ASN 38 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2jxn n SER 39 N -0.46 0.00 -3.82 1.20 3.41 -1.26 -5.16 113.62 107.53 2jxn n SER 39 Ca 0.00 -0.36 -0.24 0.00 -0.26 0.00 0.00 58.87 58.02 2jxn n SER 39 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 2jxn n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jxn n ALA 40 N -3.00 -2.14 0.03 7.33 0.00 -1.26 -4.90 120.51 116.56 2jxn n ALA 40 Ca 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 53.44 52.27 2jxn n ALA 40 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 2jxn n ALA 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jxn h PRO 41 N -2.43 -0.11 -6.45 0.00 0.11 -2.01 -3.45 132.00 117.66 2jxn h PRO 41 Ca -0.34 0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.45 2jxn h PRO 41 Cb 0.99 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.05 2jxn h PRO 41 CO 0.23 -0.07 -0.52 1.33 -0.21 0.00 0.00 178.00 178.76 2jxn n VAL 42 N -2.67 -0.79 0.00 3.15 0.24 -1.26 -2.64 118.33 114.36 2jxn n VAL 42 Ca -0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2jxn n VAL 42 Cb 0.05 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 -1.75 3.24 0.41 7.63 0.00 -1.26 -4.96 105.19 108.51 2jxn n GLY 43 Ca -0.14 -0.45 0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 2.21 0.00 4.61 0.00 -1.85 1.01 119.26 125.23 2jxn h ALA 44 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jxn h ALA 44 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jxn h ALA 44 CO 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 179.25 178.25 2jxn h ALA 45 N 1.29 1.15 0.00 0.00 0.00 -1.93 -3.01 119.26 116.76 2jxn h ALA 45 Ca 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jxn h ALA 45 Cb 1.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2jxn h ALA 45 CO -0.00 0.21 -1.28 0.44 0.00 0.00 0.00 179.25 178.61 2jxn n ILE 46 N -3.50 0.16 0.29 0.00 -5.35 0.28 -4.52 119.36 106.73 2jxn n ILE 46 Ca -0.01 -0.16 0.18 0.00 -0.27 0.00 0.00 62.75 62.49 2jxn n ILE 46 Cb 0.32 -0.24 0.87 0.00 -1.74 0.00 0.00 39.64 38.86 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 0.36 1.08 0.00 -1.28 0.00 0.39 -1.78 119.26 118.03 2jxn h ALA 47 Ca -0.06 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2jxn h ALA 47 Cb 0.76 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2jxn h ALA 47 CO 0.00 0.05 -1.16 -0.91 0.00 0.00 0.00 179.25 177.23 2jxn h ASN 48 N 0.00 0.00 0.00 0.00 2.35 -1.76 -3.23 115.58 112.94 2jxn h ASN 48 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jxn h ASN 48 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2jxn h ASN 48 CO 0.01 0.87 0.00 0.49 -1.65 0.00 0.00 177.43 177.14 2jxn n PHE 49 N -3.19 0.00 -3.82 1.19 3.01 -0.67 -4.14 117.46 109.83 2jxn n PHE 49 Ca -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 2jxn n PHE 49 Cb 0.92 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 40.24 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 -1.53 2.81 0.68 4.37 1.43 -1.22 0.20 118.68 125.41 2jxn s LEU 50 Ca 0.07 -1.67 -0.17 0.00 -1.03 0.00 0.00 54.13 51.33 2jxn s LEU 50 Cb 0.03 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 2jxn s LEU 50 CO 0.05 -0.38 0.16 -0.62 0.23 0.00 0.00 176.35 175.79 2jxn n GLU 51 N 4.70 0.20 0.31 1.70 -0.58 -1.11 -4.61 120.64 121.26 2jxn n GLU 51 Ca -0.02 0.09 -0.17 0.00 -0.42 0.00 0.00 57.16 56.64 2jxn n GLU 51 Cb 0.42 -1.46 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.28 -0.76 -0.40 3.49 0.13 -1.93 0.25 132.00 132.49 2jxn h PRO 52 Ca -0.44 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jxn h PRO 52 Cb 1.38 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.66 2jxn h PRO 52 CO 0.40 -0.51 0.25 0.37 -0.23 0.00 0.00 178.00 178.28 2jxn h GLN 53 N -0.79 0.53 0.00 0.86 4.15 -2.01 -0.96 115.11 116.89 2jxn h GLN 53 Ca -0.07 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 2jxn h GLN 53 Cb 0.63 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 2jxn h GLN 53 CO 0.10 0.38 -0.03 0.00 -1.93 0.00 0.00 178.83 177.35 2jxn h ALA 54 N 1.12 1.83 -0.92 3.38 0.00 -1.88 -1.51 119.26 121.27 2jxn h ALA 54 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jxn h ALA 54 Cb -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2jxn h ALA 54 CO -0.03 0.04 0.61 1.25 0.00 0.00 0.00 179.25 181.12 2jxn h LEU 55 N 0.00 1.05 -0.82 0.00 6.46 0.92 -1.94 115.31 120.98 2jxn h LEU 55 Ca -0.00 -0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 2jxn h LEU 55 Cb 0.06 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 2jxn h LEU 55 CO 0.00 0.75 -0.13 -0.08 -0.62 0.00 0.00 178.44 178.36 2jxn h GLU 56 N 1.23 0.75 0.52 1.25 4.81 -1.13 -2.70 114.58 119.31 2jxn h GLU 56 Ca 0.34 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2jxn h GLU 56 Cb -0.11 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2jxn h GLU 56 CO -0.08 0.84 -0.31 -0.09 -0.73 0.00 0.00 179.01 178.64 2jxn h ARG 57 N 0.68 -0.76 -0.73 1.92 9.65 -1.30 0.27 114.38 124.11 2jxn h ARG 57 Ca 0.11 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.15 2jxn h ARG 57 Cb 0.60 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 29.31 2jxn h ARG 57 CO 0.04 -0.51 0.48 1.25 2.80 0.00 0.00 179.97 184.04 2jxn h LEU 58 N -0.79 0.52 -0.42 3.80 5.85 -1.49 0.08 115.31 122.87 2jxn h LEU 58 Ca -0.06 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 2jxn h LEU 58 Cb 0.64 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2jxn h LEU 58 CO 0.07 0.30 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.13 2jxn h SER 59 N 0.57 0.79 -0.32 1.25 0.87 -1.05 -1.80 113.55 113.87 2jxn h SER 59 Ca 0.34 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2jxn h SER 59 Cb 0.56 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2jxn h SER 59 CO -0.12 0.95 0.09 -0.09 -0.53 0.00 0.00 176.83 177.13 2jxn h ARG 60 N 0.62 0.50 -0.33 2.24 2.43 0.14 -2.76 114.38 117.22 2jxn h ARG 60 Ca 0.11 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2jxn h ARG 60 Cb 0.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2jxn h ARG 60 CO 0.04 0.56 -0.11 -0.24 -1.51 0.00 0.00 179.97 178.70 2jxn h VAL 61 N 0.36 1.28 -0.95 0.20 3.04 -1.21 -2.99 116.25 115.98 2jxn h VAL 61 Ca 0.10 -1.19 0.16 0.00 -1.01 0.00 0.00 66.70 64.76 2jxn h VAL 61 Cb 0.28 1.37 -0.08 0.00 -2.01 0.00 0.00 31.29 30.84 2jxn h VAL 61 CO -0.00 0.39 0.60 0.00 -1.01 0.00 0.00 177.57 177.55 2jxn h ALA 62 N 0.79 1.77 0.00 3.17 0.00 -1.28 0.71 119.26 124.42 2jxn h ALA 62 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jxn h ALA 62 Cb 0.62 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jxn h ALA 62 CO 0.04 -0.05 -0.00 -0.07 0.00 0.00 0.00 179.25 179.16 2jxn h LEU 63 N 0.74 0.00 0.00 0.00 3.38 -1.33 -2.47 115.31 115.63 2jxn h LEU 63 Ca 0.50 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.17 2jxn h LEU 63 Cb 0.77 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 2jxn h LEU 63 CO -0.26 0.00 -2.06 0.52 0.09 0.00 0.00 178.44 176.74 2jxn n VAL 64 N -3.19 1.05 -3.46 1.22 0.31 0.14 -4.66 118.33 109.74 2jxn n VAL 64 Ca -0.03 -0.34 -0.28 0.00 -0.01 0.00 0.00 64.34 63.68 2jxn n VAL 64 Cb 0.09 -1.43 -0.11 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.36 0.85 0.48 5.55 1.81 0.20 -4.96 118.95 120.52 2jxn s ARG 65 Ca -0.26 -1.85 0.13 0.00 -1.72 0.00 0.00 55.73 52.03 2jxn s ARG 65 Cb 0.08 -1.51 1.11 0.00 -0.45 0.00 0.00 34.95 34.19 2jxn s ARG 65 CO 0.38 -1.30 2.11 0.00 -0.68 0.00 0.00 175.30 175.81 2jxn h ARG 66 N 6.23 0.18 -0.43 3.54 3.08 -1.64 -2.22 114.38 123.12 2jxn h ARG 66 Ca 0.17 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.23 2jxn h ARG 66 Cb 0.93 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2jxn h ARG 66 CO 0.35 0.13 0.23 0.22 -1.07 0.00 0.00 179.97 179.83 2jxn h ASP 67 N 0.19 0.35 -0.34 7.04 1.82 -1.93 0.50 116.42 124.05 2jxn h ASP 67 Ca 0.05 0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.57 2jxn h ASP 67 Cb -0.00 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2jxn h ASP 67 CO -0.01 0.25 -0.29 0.03 -1.61 0.00 0.00 179.24 177.61 2jxn h ARG 68 N 0.47 0.80 0.00 0.28 3.08 -1.70 -2.77 114.38 114.53 2jxn h ARG 68 Ca 0.18 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 2jxn h ARG 68 Cb 0.06 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jxn h ARG 68 CO -0.11 1.04 -0.18 0.00 -1.07 0.00 0.00 179.97 179.65 2jxn h ALA 69 N 0.75 1.26 -0.43 0.04 0.00 -1.03 -2.64 119.26 117.20 2jxn h ALA 69 Ca 0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2jxn h ALA 69 Cb 0.87 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jxn h ALA 69 CO 0.08 0.22 -0.19 1.96 0.00 0.00 0.00 179.25 181.31 2jxn h GLN 70 N 0.00 0.84 0.00 0.00 4.20 0.28 -2.84 115.11 117.59 2jxn h GLN 70 Ca -0.00 -0.33 -0.16 0.00 0.06 0.00 0.00 58.65 58.21 2jxn h GLN 70 Cb 0.46 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2jxn h GLN 70 CO 0.02 0.97 -0.76 0.00 -0.67 0.00 0.00 178.83 178.39 2jxn h ALA 71 N 1.04 0.72 -0.12 3.87 0.00 -1.38 -2.81 119.26 120.58 2jxn h ALA 71 Ca 0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jxn h ALA 71 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jxn h ALA 71 CO 0.06 0.96 0.06 0.28 0.00 0.00 0.00 179.25 180.61 2jxn h VAL 72 N 0.00 1.09 -0.30 0.00 2.07 -1.31 0.69 116.25 118.49 2jxn h VAL 72 Ca -0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2jxn h VAL 72 Cb 1.36 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2jxn h VAL 72 CO 0.10 0.08 -0.11 1.05 0.02 0.00 0.00 177.57 178.71 2jxn h GLU 73 N 0.09 0.51 -0.01 1.57 4.11 -1.54 -2.25 114.58 117.05 2jxn h GLU 73 Ca 0.04 -0.14 -0.10 0.00 0.07 0.00 0.00 59.36 59.23 2jxn h GLU 73 Cb 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jxn h GLU 73 CO -0.01 0.62 -0.47 1.15 0.07 0.00 0.00 179.01 180.37 2jxn h THR 74 N 0.47 1.34 -0.08 -1.06 2.02 -1.17 -2.20 112.91 112.22 2jxn h THR 74 Ca 0.09 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 2jxn h THR 74 Cb 0.48 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2jxn h THR 74 CO 0.03 0.46 0.02 0.22 0.37 0.00 0.00 175.52 176.62 2jxn h TYR 75 N 0.02 0.13 -0.74 3.16 5.03 -0.27 -2.37 116.97 121.94 2jxn h TYR 75 Ca -0.00 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 2jxn h TYR 75 Cb 0.84 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 2jxn h TYR 75 CO 0.00 0.32 0.23 1.25 -1.32 0.00 0.00 178.16 178.64 2jxn h LEU 76 N -0.10 1.08 -1.26 2.82 5.85 -1.44 -2.59 115.31 119.68 2jxn h LEU 76 Ca 0.02 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2jxn h LEU 76 Cb 0.26 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2jxn h LEU 76 CO 0.00 1.01 0.53 0.50 -0.34 0.00 0.00 178.44 180.14 2jxn h LYS 77 N 1.10 0.91 -0.47 1.25 3.64 -1.28 0.14 116.57 121.85 2jxn h LYS 77 Ca 0.24 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2jxn h LYS 77 Cb 0.32 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2jxn h LYS 77 CO -0.01 0.60 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.43 2jxn h LYS 78 N 0.93 0.87 -0.12 1.90 3.64 -1.04 0.39 116.57 123.14 2jxn h LYS 78 Ca 0.33 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2jxn h LYS 78 Cb 0.13 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2jxn h LYS 78 CO -0.11 0.94 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.88 2jxn h LEU 79 N 0.78 0.26 -0.25 5.20 4.07 -0.98 -1.48 115.31 122.90 2jxn h LEU 79 Ca 0.12 -0.43 -0.09 0.00 0.08 0.00 0.00 57.88 57.57 2jxn h LEU 79 Cb 0.64 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2jxn h LEU 79 CO 0.04 0.63 -0.18 0.40 -1.08 0.00 0.00 178.44 178.25 2jxn h ILE 80 N -0.11 1.31 -0.23 1.22 2.04 -0.96 -1.07 117.51 119.70 2jxn h ILE 80 Ca 0.02 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 2jxn h ILE 80 Cb 0.53 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2jxn h ILE 80 CO 0.02 0.41 0.13 0.00 0.00 0.00 0.00 178.15 178.71 2jxn h ALA 81 N 0.70 1.79 -0.78 1.87 0.00 -0.26 -3.28 119.26 119.30 2jxn h ALA 81 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jxn h ALA 81 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jxn h ALA 81 CO 0.05 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.73 2jxn n THR 82 N -4.47 0.00 0.00 0.00 -2.24 -0.56 -5.02 114.28 101.99 2jxn n THR 82 Ca 0.00 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2jxn n THR 82 Cb 0.09 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 -1.61 0.00 -0.62 3.42 2.04 -0.48 -4.99 115.26 113.03 2jxn n ASN 83 Ca 0.00 0.00 0.49 0.00 -0.44 0.00 0.00 54.58 54.63 2jxn n ASN 83 Cb 0.00 0.00 0.79 0.00 -2.53 0.00 0.00 39.78 38.04 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 0.04 0.00 0.53 -0.26 -1.66 -3.41 115.58 110.82 2jxn h ASN 84 Ca 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2jxn h ASN 84 Cb 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2jxn h ASN 84 CO 0.00 -0.04 0.00 0.52 -1.06 0.00 0.00 177.43 176.85 2jxn n VAL 85 N -4.11 0.00 -2.84 2.81 0.31 -1.19 -4.49 118.33 108.82 2jxn n VAL 85 Ca 0.41 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.56 2jxn n VAL 85 Cb 1.83 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 34.73 2jxn n VAL 85 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jxn n THR 86 N 0.00 -0.02 -3.54 2.52 -2.24 -1.26 -4.77 114.28 104.97 2jxn n THR 86 Ca 0.00 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 2jxn n THR 86 Cb 0.00 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2jxn n THR 86 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2jxn s HIS 87 N -2.04 -0.46 -0.08 4.78 -0.00 -1.26 -5.15 115.29 111.07 2jxn s HIS 87 Ca 0.35 0.68 -0.02 0.00 -0.00 0.00 0.00 55.06 56.07 2jxn s HIS 87 Cb -0.20 0.46 0.03 0.00 -0.00 0.00 0.00 32.58 32.87 2jxn s HIS 87 CO 0.44 -0.49 0.03 0.15 -0.00 0.00 0.00 174.74 174.87 2jxn s LYS 88 N -1.69 0.39 0.39 -0.38 3.01 -1.26 -4.88 119.74 115.32 2jxn s LYS 88 Ca -0.03 0.12 -0.22 0.00 -1.01 0.00 0.00 55.97 54.83 2jxn s LYS 88 Cb -0.00 -1.01 -0.14 0.00 -1.01 0.00 0.00 37.83 35.66 2jxn s LYS 88 CO 0.01 -0.37 0.35 -0.89 0.51 0.00 0.00 175.35 174.97 2jxn n ILE 89 N 5.19 1.31 -4.44 2.17 5.41 0.54 -4.78 119.36 124.76 2jxn n ILE 89 Ca -0.06 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 62.97 2jxn n ILE 89 Cb 0.50 -0.27 -0.10 0.00 -0.71 0.00 0.00 39.64 39.07 2jxn n ILE 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2jxn s THR 90 N -1.52 0.78 0.54 1.39 -4.23 -1.26 -2.73 115.64 108.61 2jxn s THR 90 Ca 0.62 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.38 2jxn s THR 90 Cb -0.65 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.01 2jxn s THR 90 CO 0.60 0.00 2.00 -0.08 -0.54 0.00 0.00 174.62 176.59 2jxn h GLU 91 N 2.06 0.00 0.23 3.99 4.81 -1.92 -0.34 114.58 123.41 2jxn h GLU 91 Ca -0.38 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.55 2jxn h GLU 91 Cb 1.26 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.67 2jxn h GLU 91 CO 0.62 0.00 -1.35 0.00 -0.73 0.00 0.00 179.01 177.55 2jxn h ALA 92 N 1.71 -0.13 -0.60 2.92 0.00 -1.96 -2.86 119.26 118.34 2jxn h ALA 92 Ca 0.24 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2jxn h ALA 92 Cb 0.99 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2jxn h ALA 92 CO -0.00 0.64 0.29 0.93 0.00 0.00 0.00 179.25 181.10 2jxn h GLU 93 N 0.02 0.86 -0.24 0.00 4.39 -1.53 1.13 114.58 119.20 2jxn h GLU 93 Ca -0.24 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 2jxn h GLU 93 Cb 2.04 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 2jxn h GLU 93 CO 0.24 0.70 0.09 0.82 -1.16 0.00 0.00 179.01 179.70 2jxn h ILE 94 N 0.82 1.18 -0.50 3.13 2.04 -1.23 0.30 117.51 123.25 2jxn h ILE 94 Ca 0.21 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2jxn h ILE 94 Cb 0.12 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2jxn h ILE 94 CO -0.03 0.18 -0.19 0.58 0.00 0.00 0.00 178.15 178.70 2jxn h VAL 95 N 0.23 1.27 -0.26 1.67 2.07 -1.26 -1.31 116.25 118.65 2jxn h VAL 95 Ca 0.08 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 2jxn h VAL 95 Cb 0.19 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2jxn h VAL 95 CO -0.01 0.47 0.02 0.28 0.02 0.00 0.00 177.57 178.35 2jxn h SER 96 N 0.86 0.45 -0.22 0.57 0.02 0.15 -1.08 113.55 114.30 2jxn h SER 96 Ca 0.12 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2jxn h SER 96 Cb 0.76 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2jxn h SER 96 CO 0.06 0.63 0.08 0.40 -1.14 0.00 0.00 176.83 176.86 2jxn h ILE 97 N 0.25 1.17 -0.60 3.27 2.04 -0.37 -2.51 117.51 120.76 2jxn h ILE 97 Ca 0.08 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.49 2jxn h ILE 97 Cb 0.39 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2jxn h ILE 97 CO 0.01 0.17 0.25 0.25 0.00 0.00 0.00 178.15 178.84 2jxn h LEU 98 N 0.19 0.29 -1.70 1.44 5.85 -1.16 0.12 115.31 120.33 2jxn h LEU 98 Ca 0.07 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2jxn h LEU 98 Cb 0.19 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2jxn h LEU 98 CO -0.00 0.18 0.34 0.78 -0.34 0.00 0.00 178.44 179.40 2jxn h ASN 99 N 0.46 0.31 -0.01 1.25 2.35 -0.93 0.20 115.58 119.21 2jxn h ASN 99 Ca 0.30 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.83 2jxn h ASN 99 Cb 0.32 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.65 2jxn h ASN 99 CO -0.27 0.19 -0.86 1.23 -1.65 0.00 0.00 177.43 176.07 2jxn h GLY 100 N 0.35 0.68 1.49 2.83 0.00 -0.41 -3.04 103.07 104.97 2jxn h GLY 100 Ca 0.23 -1.16 -0.12 0.00 0.00 0.00 0.00 47.33 46.28 2jxn h GLY 100 CO -0.06 1.03 -0.33 -2.22 0.00 0.00 0.00 176.54 174.96 2jxn h ILE 101 N 0.23 1.29 0.00 2.60 2.04 -0.23 -2.58 117.51 120.86 2jxn h ILE 101 Ca -0.10 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 2jxn h ILE 101 Cb 1.53 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2jxn h ILE 101 CO 0.17 0.46 -0.14 0.00 0.00 0.00 0.00 178.15 178.65 2jxn h ALA 102 N 1.15 1.18 -0.07 1.87 0.00 -0.66 0.33 119.26 123.05 2jxn h ALA 102 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2jxn h ALA 102 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jxn h ALA 102 CO 0.07 0.17 -0.35 -0.22 0.00 0.00 0.00 179.25 178.91 2jxn h LYS 103 N 0.00 0.37 0.14 0.00 3.64 -1.34 -3.32 116.57 116.06 2jxn h LYS 103 Ca -0.00 -0.30 -0.29 0.00 -1.27 0.00 0.00 60.65 58.79 2jxn h LYS 103 Cb 0.44 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2jxn h LYS 103 CO 0.02 0.94 -1.31 -0.56 -2.27 0.00 0.00 179.45 176.27 2jxn h GLN 104 N -0.11 0.29 -2.03 1.90 3.07 -1.41 -3.46 115.11 113.36 2jxn h GLN 104 Ca -0.02 -0.50 0.03 0.00 0.09 0.00 0.00 58.65 58.25 2jxn h GLN 104 Cb 1.01 0.19 -0.21 0.00 0.08 0.00 0.00 27.48 28.54 2jxn h GLN 104 CO 0.07 1.22 -0.04 1.14 0.09 0.00 0.00 178.83 181.32 2jxn s GLN 105 N -2.64 0.66 0.00 0.06 -2.07 0.11 -5.11 119.66 110.66 2jxn s GLN 105 Ca -0.05 1.28 0.00 0.00 -1.82 0.00 0.00 55.36 54.76 2jxn s GLN 105 Cb 0.07 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 2jxn s GLN 105 CO 0.88 -0.17 0.00 0.27 -1.32 0.00 0.00 175.29 174.96 2jxn n ASN 106 N 4.65 0.00 -4.90 12.60 2.04 -1.25 -3.45 115.26 124.96 2jxn n ASN 106 Ca -0.18 0.00 -0.28 0.00 -0.44 0.00 0.00 54.58 53.68 2jxn n ASN 106 Cb 0.56 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.82 2jxn n ASN 106 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2jxn s SER 107 N -1.00 6.09 -0.31 0.53 1.04 -1.26 -4.70 113.70 114.09 2jxn s SER 107 Ca 0.00 1.04 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 2jxn s SER 107 Cb 0.00 -2.20 0.19 0.00 0.10 0.00 0.00 66.02 64.11 2jxn s SER 107 CO 0.00 -0.79 1.04 -1.58 0.98 0.00 0.00 173.24 172.89 2jxn s GLN 108 N -4.94 0.16 -0.27 4.02 0.74 -1.26 -4.93 119.66 113.17 2jxn s GLN 108 Ca 0.51 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.99 2jxn s GLN 108 Cb -0.11 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.05 2jxn s GLN 108 CO 0.48 -0.27 0.00 0.09 -0.55 0.00 0.00 175.29 175.04 2jxn n ASN 109 N 4.63 -1.18 -4.47 6.67 4.13 -1.26 -4.78 115.26 119.00 2jxn n ASN 109 Ca 0.08 0.24 -0.44 0.00 1.68 0.00 0.00 54.58 56.15 2jxn n ASN 109 Cb 0.60 -1.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 2jxn n ASN 109 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2jxn n ASN 110 N -0.40 5.12 -3.98 6.41 5.15 -1.26 -4.91 115.26 121.39 2jxn n ASN 110 Ca -0.03 -2.96 -0.09 0.00 -0.60 0.00 0.00 54.58 50.89 2jxn n ASN 110 Cb 0.30 -1.62 -0.06 0.00 -0.53 0.00 0.00 39.78 37.87 2jxn n ASN 110 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2jxn s SER 111 N 3.17 -0.06 0.00 1.20 0.15 -1.26 -4.91 113.70 111.99 2jxn s SER 111 Ca 0.46 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2jxn s SER 111 Cb -0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2jxn s SER 111 CO 0.02 -1.05 0.00 0.29 1.20 0.00 0.00 173.24 173.70 2jxn n LYS 112 N -0.33 0.00 -0.33 5.44 4.76 -1.26 -3.82 118.16 122.62 2jxn n LYS 112 Ca -0.04 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.58 2jxn n LYS 112 Cb 0.62 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 34.15 2jxn n LYS 112 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2jxn n ILE 113 N 0.00 -0.40 -0.10 -0.18 -0.00 -1.26 0.13 119.36 117.54 2jxn n ILE 113 Ca 0.00 2.08 -0.12 0.00 -0.00 0.00 0.00 62.75 64.71 2jxn n ILE 113 Cb 0.00 -3.10 -0.04 0.00 -0.00 0.00 0.00 39.64 36.50 2jxn n ILE 113 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 2jxn h ILE 114 N 0.00 1.30 -6.62 1.39 3.07 -1.91 -3.47 117.51 111.26 2jxn h ILE 114 Ca 0.62 -1.35 -0.53 0.00 1.55 0.00 0.00 64.86 65.15 2jxn h ILE 114 Cb 1.37 1.48 -0.11 0.00 -0.27 0.00 0.00 36.82 39.29 2jxn h ILE 114 CO -0.87 0.44 -0.88 0.33 -1.05 0.00 0.00 178.15 176.11 2jxn n PHE 115 N -4.31 -1.65 -0.02 0.16 7.35 0.34 -5.12 117.46 114.21 2jxn n PHE 115 Ca -0.03 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 2jxn n PHE 115 Cb 0.43 -3.42 0.00 0.00 0.35 0.00 0.00 39.48 36.83 2jxn n PHE 115 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39