#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 -4.49 0.03 7.83 8.00 -1.26 -4.89 116.55 121.76 2jxn n ASP 2 Ca 0.00 -0.91 -0.06 0.00 0.71 0.00 0.00 54.79 54.52 2jxn n ASP 2 Cb 0.00 -3.88 0.12 0.00 -0.02 0.00 0.00 41.12 37.34 2jxn n ASP 2 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2jxn h PRO 3 N -1.72 0.45 -1.02 -0.24 0.13 -2.03 -3.10 132.00 124.45 2jxn h PRO 3 Ca -0.64 -0.25 0.25 0.00 -0.87 0.00 0.00 66.00 64.49 2jxn h PRO 3 Cb 1.35 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 2jxn h PRO 3 CO 0.50 0.83 0.65 1.49 -0.23 0.00 0.00 178.00 181.24 2jxn h GLU 4 N 0.36 0.44 -0.02 0.86 4.81 -1.99 0.93 114.58 119.96 2jxn h GLU 4 Ca 0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2jxn h GLU 4 Cb 0.97 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.26 2jxn h GLU 4 CO 0.08 0.29 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.23 2jxn h LEU 5 N 0.45 0.34 -1.46 1.64 3.38 -1.92 -3.23 115.31 114.50 2jxn h LEU 5 Ca 0.59 -0.74 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2jxn h LEU 5 Cb 1.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2jxn h LEU 5 CO -0.31 1.04 -0.23 1.56 0.09 0.00 0.00 178.44 180.58 2jxn h GLN 6 N -0.32 0.06 -0.94 1.13 4.20 -1.03 -2.65 115.11 115.56 2jxn h GLN 6 Ca -0.04 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.84 2jxn h GLN 6 Cb 1.08 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.74 2jxn h GLN 6 CO 0.07 0.29 0.52 0.00 -0.67 0.00 0.00 178.83 179.04 2jxn h ILE 8 N 0.65 1.34 -0.89 0.00 2.04 -1.58 -2.82 117.51 116.25 2jxn h ILE 8 Ca 0.54 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2jxn h ILE 8 Cb 0.85 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 2jxn h ILE 8 CO -0.40 0.46 0.50 0.03 0.00 0.00 0.00 178.15 178.74 2jxn h ARG 9 N 0.20 1.23 -0.45 2.37 2.47 -1.05 0.74 114.38 119.90 2jxn h ARG 9 Ca 0.02 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2jxn h ARG 9 Cb 0.88 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 2jxn h ARG 9 CO 0.07 0.89 0.26 0.93 0.56 0.00 0.00 179.97 182.68 2jxn h GLU 10 N 1.24 0.61 0.00 0.04 4.39 -0.23 -1.99 114.58 118.65 2jxn h GLU 10 Ca 0.31 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.88 2jxn h GLU 10 Cb 0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2jxn h GLU 10 CO -0.05 0.46 -0.38 0.00 -1.16 0.00 0.00 179.01 177.87 2jxn h ARG 12 N 0.00 -0.08 0.08 0.00 2.43 -0.16 -0.67 114.38 115.99 2jxn h ARG 12 Ca -0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jxn h ARG 12 Cb 0.89 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2jxn h ARG 12 CO 0.05 0.12 -0.04 1.25 -1.51 0.00 0.00 179.97 179.84 2jxn h LEU 13 N -0.27 -0.09 -2.04 3.80 6.46 -1.39 -3.06 115.31 118.72 2jxn h LEU 13 Ca -0.01 -0.44 0.11 0.00 -0.12 0.00 0.00 57.88 57.43 2jxn h LEU 13 Cb 0.24 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 2jxn h LEU 13 CO 0.01 0.42 0.38 0.00 -0.62 0.00 0.00 178.44 178.63 2jxn h ALA 14 N 0.19 2.14 -0.32 1.25 0.00 -1.40 0.17 119.26 121.29 2jxn h ALA 14 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2jxn h ALA 14 Cb 0.52 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jxn h ALA 14 CO 0.02 -0.58 -0.31 1.96 0.00 0.00 0.00 179.25 180.34 2jxn h GLN 15 N 0.00 0.68 -6.06 0.00 1.08 -1.01 -3.43 115.11 106.36 2jxn h GLN 15 Ca 0.19 -0.31 -0.60 0.00 -1.45 0.00 0.00 58.65 56.48 2jxn h GLN 15 Cb 0.94 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.30 2jxn h GLN 15 CO -0.00 0.90 -0.19 -0.51 -0.95 0.00 0.00 178.83 178.08 2jxn s LEU 16 N -8.72 4.45 -1.22 1.46 2.01 0.60 -5.01 118.68 112.25 2jxn s LEU 16 Ca -0.08 0.96 -0.07 0.00 0.01 0.00 0.00 54.13 54.94 2jxn s LEU 16 Cb 0.13 -2.72 0.21 0.00 0.01 0.00 0.00 46.19 43.81 2jxn s LEU 16 CO 0.83 0.28 1.81 0.29 1.01 0.00 0.00 176.35 180.57 2jxn n LYS 17 N 1.57 3.99 -0.07 1.70 4.76 -1.26 -4.70 118.16 124.16 2jxn n LYS 17 Ca -0.12 -3.83 -0.06 0.00 -2.87 0.00 0.00 58.31 51.43 2jxn n LYS 17 Cb 0.52 -2.78 -0.04 0.00 -1.84 0.00 0.00 35.03 30.90 2jxn n LYS 17 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2jxn h ASN 18 N 5.51 0.00 -0.31 4.39 -0.73 -1.95 -3.37 115.58 119.13 2jxn h ASN 18 Ca 0.37 -0.20 0.06 0.00 1.87 0.00 0.00 56.30 58.40 2jxn h ASN 18 Cb 0.59 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.10 2jxn h ASN 18 CO 1.53 0.78 -0.40 0.78 -0.37 0.00 0.00 177.43 179.75 2jxn h ASN 19 N -1.00 -1.30 0.00 1.15 2.35 -1.95 -3.43 115.58 111.40 2jxn h ASN 19 Ca -0.04 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2jxn h ASN 19 Cb 0.47 0.56 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2jxn h ASN 19 CO -0.03 -0.38 0.00 -0.24 -1.65 0.00 0.00 177.43 175.14 2jxn n SER 20 N -5.42 0.00 -3.23 5.81 2.88 -1.26 -5.15 113.62 107.25 2jxn n SER 20 Ca -0.02 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.56 2jxn n SER 20 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 2jxn n SER 20 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jxn s GLY 21 N 0.00 -0.09 0.00 0.46 0.00 -1.26 -4.95 107.32 101.48 2jxn s GLY 21 Ca 0.00 3.15 0.00 0.00 0.00 0.00 0.00 44.72 47.87 2jxn s GLY 21 CO 0.00 3.53 0.00 0.61 0.00 0.00 0.00 173.10 177.24 2jxn n GLY 22 N 5.06 1.06 1.29 0.20 0.00 -1.26 -4.97 105.19 106.57 2jxn n GLY 22 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -7.34 -0.81 2.61 -1.04 -1.26 -5.02 114.28 101.42 2jxn n THR 23 Ca 0.00 1.82 0.00 0.00 -2.04 0.00 0.00 64.05 63.83 2jxn n THR 23 Cb 0.00 -3.60 0.00 0.00 -1.82 0.00 0.00 70.33 64.91 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 0.82 -2.52 0.00 8.00 5.15 -1.26 -5.01 115.26 120.45 2jxn n ASN 24 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2jxn n ASN 24 Cb 0.00 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 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 0.14 -1.64 3.83 8.20 0.00 -1.26 -5.04 105.19 109.41 2jxn n GLY 25 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 2jxn n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jxn s ASP 26 N -4.00 -0.19 0.00 1.61 1.01 -1.26 -5.06 116.67 108.78 2jxn s ASP 26 Ca 0.00 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 52.62 2jxn s ASP 26 Cb 0.00 0.68 0.00 0.00 1.01 0.00 0.00 42.92 44.61 2jxn s ASP 26 CO 0.00 -1.27 0.00 -2.11 0.21 0.00 0.00 175.17 172.00 2jxn n ARG 27 N -0.49 0.00 0.00 8.23 1.85 -1.26 -5.01 116.66 119.98 2jxn n ARG 27 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2jxn n ARG 27 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2jxn n ARG 27 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2jxn n ASN 28 N -0.33 0.00 0.00 2.89 5.15 -1.26 -4.81 115.26 116.90 2jxn n ASN 28 Ca 0.00 0.66 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 2jxn n ASN 28 Cb 0.00 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 2jxn n ASN 28 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2jxn n SER 29 N -1.95 0.00 -1.46 1.20 7.64 -1.26 -2.85 113.62 114.94 2jxn n SER 29 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2jxn n SER 29 Cb 0.00 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.00 2.94 1.39 0.23 0.00 -1.26 -5.07 105.19 103.42 2jxn n GLY 30 Ca 0.00 -0.84 0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 0.83 -3.65 -2.96 4.61 0.00 -1.13 -4.95 120.51 113.26 2jxn n ALA 31 Ca 0.24 0.88 -0.06 0.00 0.00 0.00 0.00 53.44 54.51 2jxn n ALA 31 Cb 0.89 -1.51 0.01 0.00 0.00 0.00 0.00 19.45 18.83 2jxn n ALA 31 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jxn n ASN 32 N -4.26 -7.37 -1.57 0.00 4.05 -1.26 -4.76 115.26 100.10 2jxn n ASN 32 Ca -0.09 0.83 0.00 0.00 0.45 0.00 0.00 54.58 55.77 2jxn n ASN 32 Cb 0.66 -3.95 0.00 0.00 1.23 0.00 0.00 39.78 37.72 2jxn n ASN 32 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2jxn n ASN 33 N 0.58 -8.48 -3.58 1.20 5.15 -1.26 -5.06 115.26 103.81 2jxn n ASN 33 Ca 0.01 1.45 -0.16 0.00 -0.60 0.00 0.00 54.58 55.28 2jxn n ASN 33 Cb 0.29 -4.85 -0.07 0.00 -0.53 0.00 0.00 39.78 34.63 2jxn n ASN 33 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2jxn s GLY 34 N -4.10 -0.47 0.61 8.20 0.00 -1.26 -4.74 107.32 105.57 2jxn s GLY 34 Ca 0.00 1.01 -0.16 0.00 0.00 0.00 0.00 44.72 45.58 2jxn s GLY 34 CO 0.00 0.69 1.08 -0.32 0.00 0.00 0.00 173.10 174.55 2jxn s GLY 35 N -1.31 2.15 -0.41 0.20 0.00 -1.26 -5.02 107.32 101.67 2jxn s GLY 35 Ca -0.11 0.45 0.08 0.00 0.00 0.00 0.00 44.72 45.14 2jxn s GLY 35 CO 0.07 0.78 0.56 0.61 0.00 0.00 0.00 173.10 175.12 2jxn n GLY 36 N -0.81 3.09 2.44 0.20 0.00 -1.26 -5.03 105.19 103.82 2jxn n GLY 36 Ca 0.09 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 2jxn n GLY 36 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jxn n GLU 37 N 1.25 -0.27 0.00 1.61 4.07 -1.26 -4.54 120.64 121.50 2jxn n GLU 37 Ca 0.22 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 2jxn n GLU 37 Cb 0.53 -0.74 0.00 0.00 -0.06 0.00 0.00 31.44 31.17 2jxn n GLU 37 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2jxn n ASN 38 N 1.26 -0.48 -4.91 4.31 2.85 -1.26 -4.89 115.26 112.14 2jxn n ASN 38 Ca -0.00 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.19 2jxn n ASN 38 Cb 0.37 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.45 2jxn n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2jxn s SER 39 N -4.00 4.93 0.00 1.20 1.04 -1.26 -5.04 113.70 110.57 2jxn s SER 39 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2jxn s SER 39 Cb 0.00 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2jxn s SER 39 CO 0.00 -1.57 0.00 0.00 0.98 0.00 0.00 173.24 172.65 2jxn n ALA 40 N -3.01 0.00 -2.60 5.32 0.00 -1.26 -5.01 120.51 113.95 2jxn n ALA 40 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 2jxn n ALA 40 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 4.13 -0.41 0.00 0.04 -1.26 -4.93 135.00 132.57 2jxn s PRO 41 Ca 0.00 1.24 0.09 0.00 0.04 0.00 0.00 61.00 62.37 2jxn s PRO 41 Cb 0.00 -3.72 0.31 0.00 0.04 0.00 0.00 34.50 31.13 2jxn s PRO 41 CO 0.00 -0.81 0.81 1.33 0.04 0.00 0.00 177.00 178.37 2jxn n VAL 42 N 5.67 -0.21 0.00 -0.36 0.24 -1.26 -4.90 118.33 117.52 2jxn n VAL 42 Ca 0.12 -3.31 0.00 0.00 -2.04 0.00 0.00 64.34 59.12 2jxn n VAL 42 Cb 0.46 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 0.67 1.66 0.36 7.63 0.00 -1.26 -4.96 105.19 109.29 2jxn n GLY 43 Ca 0.17 -0.09 0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 1.93 -0.15 4.61 0.00 -1.95 0.86 119.26 124.56 2jxn h ALA 44 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2jxn h ALA 44 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jxn h ALA 44 CO 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 179.25 178.57 2jxn h ALA 45 N 1.61 1.38 0.00 0.00 0.00 -1.94 -2.57 119.26 117.74 2jxn h ALA 45 Ca 0.14 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2jxn h ALA 45 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2jxn h ALA 45 CO -0.00 0.43 -1.94 0.44 0.00 0.00 0.00 179.25 178.17 2jxn n ILE 46 N -4.20 0.59 0.25 0.00 -5.35 0.83 -4.26 119.36 107.21 2jxn n ILE 46 Ca -0.01 -0.54 0.11 0.00 -0.27 0.00 0.00 62.75 62.04 2jxn n ILE 46 Cb 0.33 -0.26 0.66 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.14 1.32 0.00 -1.28 0.00 0.59 -1.43 119.26 119.60 2jxn h ALA 47 Ca -0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2jxn h ALA 47 Cb 1.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2jxn h ALA 47 CO 0.01 0.19 -0.51 -0.91 0.00 0.00 0.00 179.25 178.03 2jxn h ASN 48 N 0.00 0.00 0.00 0.00 2.35 -1.66 -3.21 115.58 113.07 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 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2jxn h ASN 48 CO 0.02 0.23 0.00 0.49 -1.65 0.00 0.00 177.43 176.52 2jxn n PHE 49 N -3.04 0.00 -3.91 1.19 3.01 -0.54 -4.29 117.46 109.88 2jxn n PHE 49 Ca 0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.17 2jxn n PHE 49 Cb 0.64 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.95 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 -1.41 2.74 0.82 4.37 1.43 -1.21 0.26 118.68 125.68 2jxn s LEU 50 Ca 0.08 -1.35 -0.14 0.00 -1.03 0.00 0.00 54.13 51.69 2jxn s LEU 50 Cb 0.03 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.10 2jxn s LEU 50 CO 0.06 -0.28 0.63 -0.62 0.23 0.00 0.00 176.35 176.37 2jxn n GLU 51 N 4.66 0.07 -0.06 1.70 -0.58 -0.92 -4.70 120.64 120.81 2jxn n GLU 51 Ca -0.09 0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.66 2jxn n GLU 51 Cb 0.44 -1.97 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 2jxn n GLU 51 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2jxn h PRO 52 N -0.90 -0.11 -0.87 3.49 0.11 -1.94 -1.03 132.00 130.75 2jxn h PRO 52 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jxn h PRO 52 Cb 1.31 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 2jxn h PRO 52 CO 0.40 -0.07 0.55 1.96 -0.21 0.00 0.00 178.00 180.63 2jxn h GLN 53 N -0.11 1.17 0.00 1.05 1.08 -1.99 -0.56 115.11 115.75 2jxn h GLN 53 Ca 0.14 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2jxn h GLN 53 Cb 0.32 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2jxn h GLN 53 CO -0.33 0.80 -0.04 0.00 -0.95 0.00 0.00 178.83 178.31 2jxn h ALA 54 N 1.30 1.83 -0.83 3.87 0.00 -1.68 -1.23 119.26 122.52 2jxn h ALA 54 Ca 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2jxn h ALA 54 Cb -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2jxn h ALA 54 CO -0.06 0.04 0.47 1.25 0.00 0.00 0.00 179.25 180.95 2jxn h LEU 55 N 0.00 1.02 -1.33 0.00 5.85 0.18 -1.68 115.31 119.35 2jxn h LEU 55 Ca -0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2jxn h LEU 55 Cb 0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2jxn h LEU 55 CO 0.00 0.81 0.17 -0.33 -0.34 0.00 0.00 178.44 178.75 2jxn h GLU 56 N 1.15 0.62 0.22 1.25 3.07 -1.14 -2.81 114.58 116.94 2jxn h GLU 56 Ca 0.29 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2jxn h GLU 56 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2jxn h GLU 56 CO -0.05 0.52 -0.17 0.00 -1.40 0.00 0.00 179.01 177.91 2jxn h ARG 57 N 0.62 -0.38 -0.64 2.33 2.47 -1.19 -0.25 114.38 117.34 2jxn h ARG 57 Ca 0.15 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 59.00 2jxn h ARG 57 Cb 0.14 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 2jxn h ARG 57 CO -0.01 -0.26 0.43 -0.07 0.56 0.00 0.00 179.97 180.62 2jxn h LEU 58 N -0.40 0.41 -0.42 3.04 3.38 -1.32 0.16 115.31 120.16 2jxn h LEU 58 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jxn h LEU 58 Cb 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2jxn h LEU 58 CO -0.01 0.24 0.01 0.28 0.09 0.00 0.00 178.44 179.05 2jxn h SER 59 N 0.45 0.72 -0.19 -0.43 0.02 -1.10 -0.44 113.55 112.59 2jxn h SER 59 Ca 0.30 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2jxn h SER 59 Cb 0.56 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2jxn h SER 59 CO -0.09 0.85 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.32 2jxn h ARG 60 N 0.58 0.36 -0.13 3.45 9.65 0.72 -3.07 114.38 125.95 2jxn h ARG 60 Ca 0.12 -0.13 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 2jxn h ARG 60 Cb 0.47 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 2jxn h ARG 60 CO 0.02 0.60 -0.12 -0.24 2.80 0.00 0.00 179.97 183.03 2jxn h VAL 61 N 0.09 1.35 0.00 0.20 3.04 -1.17 -2.87 116.25 116.89 2jxn h VAL 61 Ca 0.05 -1.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.48 2jxn h VAL 61 Cb 0.46 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2jxn h VAL 61 CO 0.02 0.37 0.20 0.00 -1.01 0.00 0.00 177.57 177.14 2jxn h ALA 62 N 0.61 1.15 0.00 3.17 0.00 -1.13 0.52 119.26 123.57 2jxn h ALA 62 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2jxn h ALA 62 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jxn h ALA 62 CO 0.03 -0.15 -1.28 -0.07 0.00 0.00 0.00 179.25 177.79 2jxn h LEU 63 N 0.00 0.00 0.00 0.00 3.38 -1.40 -3.36 115.31 113.93 2jxn h LEU 63 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 2jxn h LEU 63 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2jxn h LEU 63 CO 0.00 0.83 -2.33 0.52 0.09 0.00 0.00 178.44 177.56 2jxn n VAL 64 N -3.12 1.31 -3.63 1.22 0.31 0.83 -4.88 118.33 110.37 2jxn n VAL 64 Ca -0.08 -0.36 -0.29 0.00 -0.01 0.00 0.00 64.34 63.60 2jxn n VAL 64 Cb 0.93 -1.73 -0.13 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.44 1.10 0.45 5.55 1.81 0.15 -4.96 118.95 120.60 2jxn s ARG 65 Ca -0.33 -1.87 0.11 0.00 -1.72 0.00 0.00 55.73 51.92 2jxn s ARG 65 Cb 0.12 -2.04 1.01 0.00 -0.45 0.00 0.00 34.95 33.59 2jxn s ARG 65 CO 0.44 -1.19 2.08 -0.09 -0.68 0.00 0.00 175.30 175.86 2jxn h ARG 66 N 6.70 0.30 -0.77 3.54 2.43 -1.71 -2.04 114.38 122.83 2jxn h ARG 66 Ca 0.03 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2jxn h ARG 66 Cb 0.93 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 2jxn h ARG 66 CO 0.42 0.22 0.28 0.22 -1.51 0.00 0.00 179.97 179.61 2jxn h ASP 67 N 0.31 1.09 -0.64 -3.80 3.58 -1.93 -2.81 116.42 112.23 2jxn h ASP 67 Ca 0.08 -0.19 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 2jxn h ASP 67 Cb 0.00 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 2jxn h ASP 67 CO -0.01 0.98 0.04 0.03 -2.88 0.00 0.00 179.24 177.40 2jxn h ARG 68 N 1.13 1.09 0.00 0.28 -0.00 -1.75 -2.61 114.38 112.51 2jxn h ARG 68 Ca 0.25 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.98 59.39 2jxn h ARG 68 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.11 2jxn h ARG 68 CO -0.02 1.04 -0.08 0.00 0.00 0.00 0.00 179.97 180.91 2jxn h ALA 69 N 1.01 1.45 -0.20 0.04 0.00 -1.25 -2.32 119.26 118.00 2jxn h ALA 69 Ca 0.19 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 2jxn h ALA 69 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jxn h ALA 69 CO 0.02 0.10 -0.65 1.96 0.00 0.00 0.00 179.25 180.68 2jxn h GLN 70 N 0.00 0.73 -0.56 0.00 7.50 -1.24 -2.83 115.11 118.71 2jxn h GLN 70 Ca -0.00 -0.53 -0.08 0.00 0.50 0.00 0.00 58.65 58.54 2jxn h GLN 70 Cb 0.20 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 2jxn h GLN 70 CO 0.01 1.15 0.02 0.00 -1.50 0.00 0.00 178.83 178.51 2jxn h ALA 71 N 0.72 0.98 -0.15 3.87 0.00 -1.37 -1.15 119.26 122.17 2jxn h ALA 71 Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jxn h ALA 71 Cb 1.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jxn h ALA 71 CO 0.13 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.37 2jxn h VAL 72 N 0.88 1.11 -0.83 0.00 2.07 -1.48 0.27 116.25 118.27 2jxn h VAL 72 Ca 0.17 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2jxn h VAL 72 Cb 0.49 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2jxn h VAL 72 CO 0.02 0.10 0.43 -0.33 0.02 0.00 0.00 177.57 177.81 2jxn h GLU 73 N 0.13 1.17 -0.16 1.57 4.39 -1.36 -2.20 114.58 118.13 2jxn h GLU 73 Ca 0.05 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 2jxn h GLU 73 Cb 0.09 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2jxn h GLU 73 CO -0.01 0.87 -0.47 1.15 -1.16 0.00 0.00 179.01 179.39 2jxn h THR 74 N 1.17 1.32 -0.20 1.13 2.02 -0.86 -2.68 112.91 114.82 2jxn h THR 74 Ca 0.29 -1.68 0.02 0.00 0.77 0.00 0.00 66.41 65.80 2jxn h THR 74 Cb 0.06 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2jxn h THR 74 CO -0.04 0.51 0.08 0.22 0.37 0.00 0.00 175.52 176.67 2jxn h TYR 75 N 0.32 0.16 -0.56 3.16 5.03 0.15 -2.21 116.97 123.02 2jxn h TYR 75 Ca 0.02 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 2jxn h TYR 75 Cb 0.95 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2jxn h TYR 75 CO 0.03 0.08 0.05 1.25 -1.32 0.00 0.00 178.16 178.26 2jxn h LEU 76 N 0.19 0.88 -1.30 2.82 5.85 -1.42 -2.55 115.31 119.76 2jxn h LEU 76 Ca 0.08 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2jxn h LEU 76 Cb 0.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2jxn h LEU 76 CO -0.07 0.91 0.50 0.50 -0.34 0.00 0.00 178.44 179.94 2jxn h LYS 77 N 0.86 0.84 -0.47 1.25 3.64 -1.11 0.53 116.57 122.10 2jxn h LYS 77 Ca 0.17 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2jxn h LYS 77 Cb 0.43 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2jxn h LYS 77 CO 0.01 0.56 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.53 2jxn h LYS 78 N 0.87 0.84 -0.15 1.90 3.64 -1.00 0.91 116.57 123.57 2jxn h LYS 78 Ca 0.32 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2jxn h LYS 78 Cb 0.17 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2jxn h LYS 78 CO -0.10 0.89 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.81 2jxn h LEU 79 N 0.69 0.33 -0.32 5.20 4.07 -0.97 -1.20 115.31 123.11 2jxn h LEU 79 Ca 0.13 -0.42 -0.10 0.00 0.08 0.00 0.00 57.88 57.57 2jxn h LEU 79 Cb 0.51 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2jxn h LEU 79 CO 0.02 0.68 -0.20 0.40 -1.08 0.00 0.00 178.44 178.26 2jxn h ILE 80 N -0.02 1.29 0.00 1.22 2.04 0.06 -1.53 117.51 120.57 2jxn h ILE 80 Ca 0.03 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 2jxn h ILE 80 Cb 0.56 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2jxn h ILE 80 CO 0.02 0.43 -0.12 0.00 0.00 0.00 0.00 178.15 178.48 2jxn h ALA 81 N 0.75 1.56 -0.10 1.87 0.00 0.85 -3.27 119.26 120.92 2jxn h ALA 81 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jxn h ALA 81 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jxn h ALA 81 CO 0.06 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.71 2jxn n THR 82 N -4.05 0.00 0.00 0.00 -2.24 -0.46 -5.01 114.28 102.52 2jxn n THR 82 Ca -0.02 0.57 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 2jxn n THR 82 Cb 0.21 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 -1.95 0.00 -0.01 3.42 2.04 -0.65 -4.98 115.26 113.13 2jxn n ASN 83 Ca 0.00 0.00 0.17 0.00 -0.44 0.00 0.00 54.58 54.31 2jxn n ASN 83 Cb 0.00 0.00 0.26 0.00 -2.53 0.00 0.00 39.78 37.51 2jxn n ASN 83 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2jxn n ASN 84 N 0.00 0.00 -2.28 0.53 3.02 -0.76 -4.54 115.26 111.23 2jxn n ASN 84 Ca 0.00 0.64 -0.17 0.00 -0.03 0.00 0.00 54.58 55.03 2jxn n ASN 84 Cb 0.00 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 38.92 2jxn n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jxn n VAL 85 N -2.91 0.00 -1.57 2.41 0.31 -1.25 -4.39 118.33 110.93 2jxn n VAL 85 Ca 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2jxn n VAL 85 Cb 1.30 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.08 2jxn n VAL 85 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2jxn n THR 86 N 3.38 0.00 -2.52 2.52 5.66 -1.26 -5.14 114.28 116.92 2jxn n THR 86 Ca 0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 2jxn n THR 86 Cb 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 2jxn n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jxn n HIS 87 N 0.00 -0.13 -3.68 1.09 1.44 -1.26 -5.16 115.22 107.52 2jxn n HIS 87 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2jxn n HIS 87 Cb 0.34 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.32 2jxn n HIS 87 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2jxn s LYS 88 N 0.43 0.17 0.63 -1.40 1.02 -1.26 -4.86 119.74 114.47 2jxn s LYS 88 Ca 0.00 0.69 -0.17 0.00 0.02 0.00 0.00 55.97 56.51 2jxn s LYS 88 Cb 0.00 -0.05 -0.11 0.00 -0.52 0.00 0.00 37.83 37.14 2jxn s LYS 88 CO 0.00 -0.25 0.08 -0.89 -0.92 0.00 0.00 175.35 173.37 2jxn n ILE 89 N 5.01 0.88 -4.37 2.17 5.41 0.73 -4.72 119.36 124.47 2jxn n ILE 89 Ca -0.12 -0.48 -0.19 0.00 1.00 0.00 0.00 62.75 62.96 2jxn n ILE 89 Cb 0.51 -0.31 -0.09 0.00 -0.71 0.00 0.00 39.64 39.03 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 -1.92 0.52 0.53 1.39 -4.23 -1.26 -2.18 115.64 108.50 2jxn s THR 90 Ca 0.59 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.32 2jxn s THR 90 Cb -0.42 -2.56 0.33 0.00 1.34 0.00 0.00 72.50 71.20 2jxn s THR 90 CO 0.64 0.00 2.08 1.05 -0.54 0.00 0.00 174.62 177.85 2jxn h GLU 91 N 2.19 0.00 -0.03 3.99 4.11 -1.86 0.19 114.58 123.17 2jxn h GLU 91 Ca -0.36 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.91 2jxn h GLU 91 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2jxn h GLU 91 CO 0.57 0.00 -0.71 0.00 0.07 0.00 0.00 179.01 178.94 2jxn h ALA 92 N 1.86 0.74 -0.05 1.06 0.00 -1.98 -2.45 119.26 118.44 2jxn h ALA 92 Ca 0.12 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.18 2jxn h ALA 92 Cb 0.48 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jxn h ALA 92 CO -0.00 0.82 -0.83 0.93 0.00 0.00 0.00 179.25 180.17 2jxn h GLU 93 N 0.12 0.66 -0.26 0.00 4.39 -1.08 -0.81 114.58 117.60 2jxn h GLU 93 Ca -0.02 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.03 2jxn h GLU 93 Cb 1.27 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 2jxn h GLU 93 CO 0.11 1.24 0.10 0.82 -1.16 0.00 0.00 179.01 180.12 2jxn h ILE 94 N 0.31 1.17 -0.46 3.13 2.04 -1.11 -1.24 117.51 121.35 2jxn h ILE 94 Ca -0.09 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.12 2jxn h ILE 94 Cb 1.49 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2jxn h ILE 94 CO 0.17 0.17 -0.22 1.62 0.00 0.00 0.00 178.15 179.90 2jxn h VAL 95 N 0.27 1.27 -0.38 1.67 3.04 -1.52 -2.00 116.25 118.60 2jxn h VAL 95 Ca 0.09 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.41 2jxn h VAL 95 Cb 0.18 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.58 2jxn h VAL 95 CO -0.01 0.47 0.25 0.28 -1.01 0.00 0.00 177.57 177.55 2jxn h SER 96 N 0.82 0.43 -0.31 3.17 0.02 -0.92 -1.04 113.55 115.72 2jxn h SER 96 Ca 0.11 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2jxn h SER 96 Cb 0.78 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2jxn h SER 96 CO 0.06 0.31 -0.24 0.40 -1.14 0.00 0.00 176.83 176.23 2jxn h ILE 97 N 0.51 1.27 -0.62 3.27 2.04 -1.20 -2.85 117.51 119.94 2jxn h ILE 97 Ca 0.14 -1.37 0.08 0.00 1.00 0.00 0.00 64.86 64.72 2jxn h ILE 97 Cb -0.05 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2jxn h ILE 97 CO -0.03 0.46 0.27 0.25 0.00 0.00 0.00 178.15 179.09 2jxn h LEU 98 N 0.70 0.31 -1.69 1.44 7.12 -0.80 0.31 115.31 122.69 2jxn h LEU 98 Ca 0.09 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.23 2jxn h LEU 98 Cb 0.77 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.89 2jxn h LEU 98 CO 0.06 0.19 0.31 -1.13 -0.13 0.00 0.00 178.44 177.74 2jxn h ASN 99 N 0.48 0.33 0.70 1.25 -0.73 -0.97 0.68 115.58 117.31 2jxn h ASN 99 Ca 0.30 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 58.21 2jxn h ASN 99 Cb 0.33 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 2jxn h ASN 99 CO -0.27 0.22 -1.23 1.23 -0.37 0.00 0.00 177.43 177.01 2jxn h GLY 100 N 0.38 0.23 1.37 1.57 0.00 -0.73 -3.07 103.07 102.82 2jxn h GLY 100 Ca 0.20 -0.59 -0.24 0.00 0.00 0.00 0.00 47.33 46.70 2jxn h GLY 100 CO -0.05 0.52 -0.94 -2.22 0.00 0.00 0.00 176.54 173.84 2jxn h ILE 101 N 0.05 1.33 0.00 2.60 2.04 0.66 -2.98 117.51 121.21 2jxn h ILE 101 Ca -0.12 -2.28 -0.06 0.00 1.00 0.00 0.00 64.86 63.40 2jxn h ILE 101 Cb 1.93 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 40.32 2jxn h ILE 101 CO 0.18 0.70 -0.28 0.00 0.00 0.00 0.00 178.15 178.75 2jxn h ALA 102 N 0.60 1.50 -0.21 1.87 0.00 0.22 0.31 119.26 123.55 2jxn h ALA 102 Ca -0.09 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2jxn h ALA 102 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2jxn h ALA 102 CO 0.18 0.34 -0.42 -0.22 0.00 0.00 0.00 179.25 179.13 2jxn h LYS 103 N 0.00 0.65 0.09 0.00 3.64 -1.49 -3.34 116.57 116.12 2jxn h LYS 103 Ca -0.00 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2jxn h LYS 103 Cb 0.50 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2jxn h LYS 103 CO 0.04 1.04 -0.04 1.96 -2.27 0.00 0.00 179.45 180.17 2jxn h GLN 104 N 0.34 -0.12 -0.37 1.90 1.08 -1.34 -3.46 115.11 113.14 2jxn h GLN 104 Ca 0.01 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 2jxn h GLN 104 Cb 1.02 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 2jxn h GLN 104 CO 0.09 0.24 -0.08 1.04 -0.95 0.00 0.00 178.83 179.17 2jxn n GLN 105 N -4.83 -1.81 -3.08 1.46 6.02 0.11 -4.89 117.38 110.36 2jxn n GLN 105 Ca -0.05 0.50 -0.40 0.00 -0.01 0.00 0.00 57.00 57.04 2jxn n GLN 105 Cb 0.20 -4.51 -0.05 0.00 1.02 0.00 0.00 30.24 26.90 2jxn n GLN 105 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jxn s ASN 106 N -1.65 6.81 -0.42 1.08 3.84 -1.26 -4.99 114.94 118.36 2jxn s ASN 106 Ca 0.00 0.99 0.05 0.00 0.21 0.00 0.00 52.86 54.10 2jxn s ASN 106 Cb 0.00 -2.38 0.18 0.00 -0.55 0.00 0.00 41.25 38.51 2jxn s ASN 106 CO 0.00 -0.23 0.73 -0.44 -2.79 0.00 0.00 177.10 174.37 2jxn s SER 107 N 1.03 -1.30 0.00 -4.21 0.01 -1.26 -5.15 113.70 102.82 2jxn s SER 107 Ca 0.32 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2jxn s SER 107 Cb -0.16 1.67 0.00 0.00 0.21 0.00 0.00 66.02 67.74 2jxn s SER 107 CO 0.13 -0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.66 2jxn n GLN 108 N 3.93 2.90 -0.06 12.44 10.64 -1.26 -5.04 117.38 140.92 2jxn n GLN 108 Ca 0.12 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.07 2jxn n GLN 108 Cb 0.58 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.84 2jxn n GLN 108 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2jxn n ASN 109 N 0.00 2.00 -4.43 2.61 6.94 -1.26 -4.77 115.26 116.35 2jxn n ASN 109 Ca 0.00 0.26 -0.44 0.00 -0.02 0.00 0.00 54.58 54.38 2jxn n ASN 109 Cb 0.00 -0.84 -0.05 0.00 -2.36 0.00 0.00 39.78 36.52 2jxn n ASN 109 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jxn s ASN 110 N -6.97 6.22 0.00 0.53 4.22 -1.26 -4.55 114.94 113.12 2jxn s ASN 110 Ca -0.28 -1.04 0.00 0.00 -2.14 0.00 0.00 52.86 49.41 2jxn s ASN 110 Cb 0.08 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.29 2jxn s ASN 110 CO 0.66 -1.02 0.00 -1.20 -2.04 0.00 0.00 177.10 173.50 2jxn n SER 111 N 6.40 0.00 -0.31 3.54 7.64 -1.26 -5.00 113.62 124.63 2jxn n SER 111 Ca -0.07 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 2jxn n SER 111 Cb 0.45 0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 2jxn n SER 111 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jxn n LYS 112 N -2.19 0.00 0.00 1.43 2.85 -1.26 -4.95 118.16 114.04 2jxn n LYS 112 Ca 0.00 -0.08 0.10 0.00 -1.05 0.00 0.00 58.31 57.29 2jxn n LYS 112 Cb 0.00 0.08 -0.05 0.00 -0.65 0.00 0.00 35.03 34.41 2jxn n LYS 112 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2jxn n ILE 113 N 0.00 0.00 0.98 0.58 -0.00 -1.26 -4.13 119.36 115.53 2jxn n ILE 113 Ca -0.02 -0.07 0.07 0.00 -0.00 0.00 0.00 62.75 62.73 2jxn n ILE 113 Cb 0.27 0.99 0.41 0.00 -0.00 0.00 0.00 39.64 41.31 2jxn n ILE 113 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2jxn n ILE 114 N -1.10 0.00 0.06 1.39 2.08 -1.26 -2.52 119.36 118.00 2jxn n ILE 114 Ca 0.06 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.21 2jxn n ILE 114 Cb 0.37 -0.69 -0.07 0.00 -0.75 0.00 0.00 39.64 38.50 2jxn n ILE 114 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 2jxn h PHE 115 N 0.00 0.76 0.00 1.39 3.57 -2.00 -3.54 116.94 117.12 2jxn h PHE 115 Ca 0.00 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2jxn h PHE 115 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2jxn h PHE 115 CO 0.00 1.24 0.00 0.39 -2.23 0.00 0.00 178.31 177.71