#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jox n GLY 3 N 0.00 1.43 0.25 0.00 0.00 -1.26 -4.61 105.19 101.01 2jox n GLY 3 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2jox n GLY 3 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jox h ASP 4 N 0.00 0.00 0.10 1.61 3.32 -1.95 -2.65 116.42 116.85 2jox h ASP 4 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2jox h ASP 4 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jox h ASP 4 CO 0.00 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.46 2jox s VAL 6 N -4.69 3.58 0.24 0.00 -7.23 -1.00 -0.76 120.40 110.55 2jox s VAL 6 Ca -0.04 -0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 2jox s VAL 6 Cb 0.15 -2.46 0.12 0.00 0.56 0.00 0.00 36.38 34.75 2jox s VAL 6 CO 0.62 0.59 1.75 -0.08 -0.31 0.00 0.00 175.10 177.67 2jox h GLU 7 N 5.42 0.92 -4.23 4.82 4.81 -1.05 -3.44 114.58 121.82 2jox h GLU 7 Ca -0.46 -0.23 -0.28 0.00 -0.13 0.00 0.00 59.36 58.26 2jox h GLU 7 Cb 1.17 -0.12 -0.26 0.00 0.63 0.00 0.00 28.75 30.18 2jox h GLU 7 CO 0.53 0.86 -0.74 0.15 -0.73 0.00 0.00 179.01 179.08 2jox s LYS 8 N -5.12 0.36 -0.13 1.92 1.02 -1.26 -5.13 119.74 111.40 2jox s LYS 8 Ca -0.10 -0.35 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 2jox s LYS 8 Cb 0.15 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.20 2jox s LYS 8 CO 0.82 0.06 0.95 -1.21 -0.92 0.00 0.00 175.35 175.05 2jox s GLU 9 N -0.65 4.38 -1.17 1.68 2.02 -1.26 -4.27 118.70 119.43 2jox s GLU 9 Ca -0.04 1.27 -0.26 0.00 0.02 0.00 0.00 54.97 55.96 2jox s GLU 9 Cb -0.05 -3.55 0.01 0.00 0.10 0.00 0.00 34.13 30.64 2jox s GLU 9 CO -0.00 -0.32 0.75 0.66 0.02 0.00 0.00 175.26 176.36 2jox n TYR 10 N 5.10 -1.70 -1.92 1.61 4.02 -0.91 -4.92 117.16 118.45 2jox n TYR 10 Ca 0.07 0.30 -0.38 0.00 -0.01 0.00 0.00 57.90 57.88 2jox n TYR 10 Cb 0.49 -3.18 0.02 0.00 -0.02 0.00 0.00 39.34 36.65 2jox n TYR 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2jox s PRO 11 N -6.57 3.45 0.33 -0.72 0.04 -1.26 -3.66 135.00 126.61 2jox s PRO 11 Ca 0.48 2.16 -0.26 0.00 0.04 0.00 0.00 61.00 63.42 2jox s PRO 11 Cb -0.21 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 2jox s PRO 11 CO 0.91 -0.91 1.00 -0.80 0.04 0.00 0.00 177.00 177.23 2jox s ASN 12 N -0.94 7.19 -0.23 6.66 0.02 -1.26 -0.96 114.94 125.42 2jox s ASN 12 Ca 0.66 1.97 0.10 0.00 -1.02 0.00 0.00 52.86 54.58 2jox s ASN 12 Cb -0.38 -2.59 0.44 0.00 0.02 0.00 0.00 41.25 38.73 2jox s ASN 12 CO 0.46 -0.18 1.25 0.54 0.02 0.00 0.00 177.10 179.20 2jox n ARG 13 N 0.57 1.83 -3.35 -0.60 5.12 -1.26 -4.93 116.66 114.03 2jox n ARG 13 Ca 0.02 -3.38 -0.24 0.00 -1.93 0.00 0.00 57.85 52.31 2jox n ARG 13 Cb 0.49 -1.71 0.03 0.00 -1.16 0.00 0.00 32.46 30.10 2jox n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jox n GLY 14 N -1.08 -0.51 1.86 -0.13 0.00 -1.26 -1.87 105.19 102.20 2jox n GLY 14 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2jox n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jox n ASN 15 N -2.59 -1.65 -4.65 1.61 4.13 -1.26 -5.05 115.26 105.81 2jox n ASN 15 Ca -0.04 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.79 2jox n ASN 15 Cb 0.57 -0.27 -0.02 0.00 -1.54 0.00 0.00 39.78 38.52 2jox n ASN 15 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2jox s THR 16 N -2.51 3.83 -0.26 3.41 2.01 -0.78 -4.35 115.64 117.00 2jox s THR 16 Ca 0.00 0.98 0.03 0.00 0.31 0.00 0.00 61.69 63.01 2jox s THR 16 Cb 0.00 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.84 2jox s THR 16 CO 0.00 -0.20 -0.09 0.00 -0.69 0.00 0.00 174.62 173.64 2jox s LEU 18 N 1.15 2.39 0.00 0.00 1.02 -1.26 -4.99 118.68 117.00 2jox s LEU 18 Ca -0.07 -0.52 0.24 0.00 0.02 0.00 0.00 54.13 53.80 2jox s LEU 18 Cb -0.20 -1.40 0.30 0.00 0.02 0.00 0.00 46.19 44.92 2jox s LEU 18 CO -0.06 0.25 1.27 -1.84 0.02 0.00 0.00 176.35 176.00 2jox n GLU 19 N 1.61 0.43 -3.89 1.70 0.00 -1.26 -4.72 120.64 114.51 2jox n GLU 19 Ca -0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 57.16 56.60 2jox n GLU 19 Cb 0.52 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 30.38 2jox n GLU 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2jox s ASN 20 N -2.78 0.13 0.00 -1.84 0.01 -1.26 -5.05 114.94 104.16 2jox s ASN 20 Ca 0.15 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 2jox s ASN 20 Cb 0.18 0.27 0.00 0.00 0.41 0.00 0.00 41.25 42.11 2jox s ASN 20 CO 0.67 -0.58 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 2jox n GLY 21 N 0.51 -0.61 3.25 0.66 0.00 -1.26 -5.05 105.19 102.69 2jox n GLY 21 Ca -0.18 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.57 2jox n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jox s SER 22 N -4.00 -0.24 -1.20 1.61 0.01 -1.26 -5.07 113.70 103.56 2jox s SER 22 Ca 0.00 0.95 -0.20 0.00 1.31 0.00 0.00 55.95 58.01 2jox s SER 22 Cb 0.00 1.35 -0.03 0.00 0.21 0.00 0.00 66.02 67.55 2jox s SER 22 CO 0.00 -0.24 1.90 0.33 0.41 0.00 0.00 173.24 175.64 2jox n PHE 23 N 5.39 3.37 -0.13 2.43 7.35 -1.26 -4.84 117.46 129.77 2jox n PHE 23 Ca -0.08 -2.18 0.27 0.00 -0.76 0.00 0.00 57.45 54.70 2jox n PHE 23 Cb 0.49 -2.48 0.72 0.00 0.35 0.00 0.00 39.48 38.56 2jox n PHE 23 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2jox h LEU 24 N 14.43 0.00 -1.38 -2.13 3.38 -1.96 -0.43 115.31 127.22 2jox h LEU 24 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2jox h LEU 24 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2jox h LEU 24 CO 1.50 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.96 2jox h LEU 25 N 0.00 0.00 0.00 1.67 3.38 -1.99 -3.16 115.31 115.21 2jox h LEU 25 Ca 0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.01 2jox h LEU 25 Cb 1.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 2jox h LEU 25 CO -0.00 0.00 -2.29 -3.20 0.09 0.00 0.00 178.44 173.04 2jox n ASN 26 N -3.04 1.14 -4.60 -0.43 5.15 -0.26 -4.88 115.26 108.34 2jox n ASN 26 Ca 0.01 -0.05 -0.43 0.00 -0.60 0.00 0.00 54.58 53.51 2jox n ASN 26 Cb 0.31 0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 39.97 2jox n ASN 26 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2jox s PHE 27 N -2.45 1.62 -2.14 1.20 5.36 -0.65 -0.45 117.98 120.47 2jox s PHE 27 Ca -0.18 0.62 0.16 0.00 -0.96 0.00 0.00 56.93 56.58 2jox s PHE 27 Cb 0.06 -4.06 0.52 0.00 -0.34 0.00 0.00 43.02 39.20 2jox s PHE 27 CO 0.67 -3.22 1.41 0.25 -1.46 0.00 0.00 175.22 172.86 2jox n THR 28 N 7.51 0.39 0.00 0.12 -2.24 0.06 -4.86 114.28 115.26 2jox n THR 28 Ca 0.25 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2jox n THR 28 Cb 0.47 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2jox n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jox n GLY 29 N 1.15 0.46 3.30 3.38 0.00 -1.24 -4.91 105.19 107.33 2jox n GLY 29 Ca 0.15 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 2jox n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jox n ALA 31 N -4.61 1.21 0.05 0.00 0.00 -1.26 -3.47 120.51 112.43 2jox n ALA 31 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2jox n ALA 31 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 2jox n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jox h VAL 32 N 0.00 1.37 0.00 0.00 2.07 -1.99 -3.40 116.25 114.31 2jox h VAL 32 Ca 0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 2jox h VAL 32 Cb 0.00 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2jox h VAL 32 CO 0.00 0.65 -0.32 0.00 0.02 0.00 0.00 177.57 177.92 2jox n SER 34 N -0.59 -2.80 -4.82 0.00 2.88 -1.23 -5.04 113.62 102.03 2jox n SER 34 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 2jox n SER 34 Cb 0.00 -0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 2jox n SER 34 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jox s LYS 35 N -1.14 4.23 0.26 -1.46 -0.14 -1.26 -4.60 119.74 115.62 2jox s LYS 35 Ca 0.00 0.99 0.10 0.00 -1.36 0.00 0.00 55.97 55.70 2jox s LYS 35 Cb 0.00 -2.46 -0.05 0.00 -1.68 0.00 0.00 37.83 33.64 2jox s LYS 35 CO 0.00 0.14 -0.15 0.50 -0.76 0.00 0.00 175.35 175.07 2jox s ARG 36 N -2.75 1.54 -1.17 1.68 3.52 -1.26 -0.35 118.95 120.15 2jox s ARG 36 Ca 0.55 -1.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.44 2jox s ARG 36 Cb -0.12 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.83 2jox s ARG 36 CO 0.17 0.23 0.00 -0.40 -0.81 0.00 0.00 175.30 174.49 2jox n ASP 37 N -0.54 -3.76 -3.96 -2.12 5.68 -1.26 -4.94 116.55 105.65 2jox n ASP 37 Ca -0.06 0.23 -0.31 0.00 -0.50 0.00 0.00 54.79 54.15 2jox n ASP 37 Cb 0.61 -3.30 -0.15 0.00 -1.14 0.00 0.00 41.12 37.14 2jox n ASP 37 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2jox s PHE 38 N -2.44 3.34 -0.05 2.11 0.40 -1.26 -5.05 117.98 115.03 2jox s PHE 38 Ca 0.00 -2.78 -0.31 0.00 -0.60 0.00 0.00 56.93 53.24 2jox s PHE 38 Cb 0.00 -2.69 0.07 0.00 0.51 0.00 0.00 43.02 40.91 2jox s PHE 38 CO 0.00 -0.92 0.68 0.00 0.70 0.00 0.00 175.22 175.68 2jox s MET 39 N 0.96 1.06 0.29 0.44 0.23 -1.26 -2.67 119.30 118.35 2jox s MET 39 Ca 0.11 0.25 0.05 0.00 -1.03 0.00 0.00 55.69 55.07 2jox s MET 39 Cb -0.19 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 33.55 2jox s MET 39 CO -0.11 -0.33 0.00 -0.51 -2.03 0.00 0.00 175.02 172.05 2jox s LEU 40 N -1.20 2.30 -0.05 0.18 2.01 0.36 -4.75 118.68 117.53 2jox s LEU 40 Ca -0.11 -1.28 0.03 0.00 0.01 0.00 0.00 54.13 52.79 2jox s LEU 40 Cb -0.00 -0.45 0.00 0.00 0.01 0.00 0.00 46.19 45.75 2jox s LEU 40 CO 0.10 -0.49 -0.15 -0.63 1.01 0.00 0.00 176.35 176.19 2jox s ILE 41 N -3.22 1.25 0.27 -0.59 1.01 -1.26 -0.97 121.20 117.69 2jox s ILE 41 Ca 0.32 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 2jox s ILE 41 Cb 0.06 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2jox s ILE 41 CO 0.13 0.37 0.38 0.28 0.00 0.00 0.00 174.94 176.10 2jox s THR 42 N 0.22 0.00 -0.55 2.92 -1.32 -1.20 -4.93 115.64 110.77 2jox s THR 42 Ca -0.06 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2jox s THR 42 Cb -0.12 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 2jox s THR 42 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 2jox n ASN 43 N -0.74 -4.77 -4.55 8.08 2.04 -1.26 -3.56 115.26 110.51 2jox n ASN 43 Ca 0.01 0.13 -0.49 0.00 -0.44 0.00 0.00 54.58 53.78 2jox n ASN 43 Cb 0.63 -3.28 -0.06 0.00 -2.53 0.00 0.00 39.78 34.54 2jox n ASN 43 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2jox n LYS 44 N -0.08 1.53 -4.13 -3.83 4.81 -1.26 -4.81 118.16 110.39 2jox n LYS 44 Ca -0.05 0.47 -0.25 0.00 -0.87 0.00 0.00 58.31 57.61 2jox n LYS 44 Cb 0.45 -2.64 -0.06 0.00 0.02 0.00 0.00 35.03 32.80 2jox n LYS 44 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jox s SER 45 N 6.52 5.26 -0.01 3.14 0.01 0.15 -5.01 113.70 123.76 2jox s SER 45 Ca 1.03 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 58.04 2jox s SER 45 Cb -0.72 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2jox s SER 45 CO 0.48 0.05 -0.01 -0.22 0.41 0.00 0.00 173.24 173.94 2jox s LEU 46 N -3.24 1.81 0.04 2.44 0.20 -1.26 -1.52 118.68 117.14 2jox s LEU 46 Ca 0.30 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 55.14 2jox s LEU 46 Cb -0.09 -0.12 -0.02 0.00 -0.43 0.00 0.00 46.19 45.53 2jox s LEU 46 CO 0.22 -0.01 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.41 2jox s LYS 47 N 0.20 0.78 -0.10 1.98 2.20 0.05 -5.00 119.74 119.85 2jox s LYS 47 Ca -0.02 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2jox s LYS 47 Cb -0.04 -0.73 0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2jox s LYS 47 CO -0.01 0.17 0.04 -1.21 -0.36 0.00 0.00 175.35 173.99 2jox s GLU 48 N -1.21 0.30 -0.17 4.03 2.02 -1.26 -0.18 118.70 122.23 2jox s GLU 48 Ca -0.01 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.04 2jox s GLU 48 Cb -0.08 -1.21 0.01 0.00 0.10 0.00 0.00 34.13 32.96 2jox s GLU 48 CO 0.01 -0.44 -0.18 -1.83 0.02 0.00 0.00 175.26 172.83 2jox s GLU 49 N 2.05 3.05 -0.75 1.61 -1.05 -0.30 -4.90 118.70 118.41 2jox s GLU 49 Ca 0.03 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 2jox s GLU 49 Cb -0.14 -2.59 0.00 0.00 -0.44 0.00 0.00 34.13 30.96 2jox s GLU 49 CO -0.06 -0.15 0.00 -3.47 0.95 0.00 0.00 175.26 172.53 2jox n ASP 50 N 4.49 -1.90 0.00 0.83 2.03 -1.26 -0.46 116.55 120.28 2jox n ASP 50 Ca -0.20 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2jox n ASP 50 Cb 0.51 -1.99 0.00 0.00 -0.72 0.00 0.00 41.12 38.91 2jox n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jox n GLY 51 N -0.15 2.15 3.75 0.27 0.00 -1.26 -4.98 105.19 104.96 2jox n GLY 51 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2jox n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jox s GLU 52 N -0.04 4.74 -0.11 1.61 2.12 0.39 -4.41 118.70 123.00 2jox s GLU 52 Ca 0.00 1.60 0.03 0.00 0.36 0.00 0.00 54.97 56.95 2jox s GLU 52 Cb 0.00 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.11 2jox s GLU 52 CO 0.00 0.33 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.64 2jox s GLU 53 N -0.95 3.17 -0.02 4.30 2.02 0.90 -1.15 118.70 126.98 2jox s GLU 53 Ca 0.44 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.68 2jox s GLU 53 Cb -0.28 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2jox s GLU 53 CO 0.34 0.19 -0.20 0.42 0.02 0.00 0.00 175.26 176.03 2jox s ILE 54 N 0.36 1.57 -0.12 -1.63 1.09 0.75 -0.21 121.20 123.02 2jox s ILE 54 Ca -0.16 -0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 58.54 2jox s ILE 54 Cb -0.17 -1.31 0.03 0.00 -1.06 0.00 0.00 42.46 39.95 2jox s ILE 54 CO 0.08 0.45 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.64 2jox s VAL 55 N -0.42 0.72 -0.06 2.92 1.01 0.61 -0.77 120.40 124.41 2jox s VAL 55 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2jox s VAL 55 Cb -0.08 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2jox s VAL 55 CO -0.00 0.22 -0.22 0.42 0.00 0.00 0.00 175.10 175.51 2jox s THR 56 N 1.82 1.84 0.03 3.92 -4.23 -0.58 -0.76 115.64 117.69 2jox s THR 56 Ca 0.04 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2jox s THR 56 Cb -0.13 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2jox s THR 56 CO -0.07 0.52 0.05 0.00 -0.54 0.00 0.00 174.62 174.58 2jox n TYR 57 N 3.13 -0.88 -4.02 3.99 4.11 -0.26 -0.67 117.16 122.57 2jox n TYR 57 Ca -0.18 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.90 57.49 2jox n TYR 57 Cb 0.52 0.06 -0.10 0.00 -0.00 0.00 0.00 39.34 39.82 2jox n TYR 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2jox s ASP 58 N -1.15 0.36 -0.05 9.48 1.11 -1.23 -1.04 116.67 124.14 2jox s ASP 58 Ca 0.02 -0.82 0.02 0.00 0.18 0.00 0.00 52.55 51.95 2jox s ASP 58 Cb -0.00 0.22 -0.03 0.00 1.07 0.00 0.00 42.92 44.18 2jox s ASP 58 CO 0.01 -0.58 -0.10 -1.00 1.18 0.00 0.00 175.17 174.68 2jox s HIS 59 N -3.46 2.83 -0.03 4.23 3.76 -0.05 -3.27 115.29 119.30 2jox s HIS 59 Ca 0.02 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 2jox s HIS 59 Cb 0.04 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 32.07 2jox s HIS 59 CO -0.08 0.28 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.49 2jox s LEU 60 N -0.83 1.68 0.07 0.89 1.02 -0.15 -0.64 118.68 120.74 2jox s LEU 60 Ca 0.12 -0.19 -0.31 0.00 0.02 0.00 0.00 54.13 53.77 2jox s LEU 60 Cb -0.11 -0.57 -0.10 0.00 0.02 0.00 0.00 46.19 45.43 2jox s LEU 60 CO 0.01 0.04 1.88 0.00 0.02 0.00 0.00 176.35 178.30 2jox n LYS 62 N 6.26 0.11 -0.02 0.00 3.00 -1.09 -0.48 118.16 125.95 2jox n LYS 62 Ca 0.19 0.54 -0.01 0.00 -0.00 0.00 0.00 58.31 59.03 2jox n LYS 62 Cb 0.37 -1.82 -0.00 0.00 0.00 0.00 0.00 35.03 33.58 2jox n LYS 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jox n ASN 63 N -2.05 0.39 -0.21 3.14 5.15 -1.26 -4.72 115.26 115.70 2jox n ASN 63 Ca -0.00 0.21 0.12 0.00 -0.60 0.00 0.00 54.58 54.31 2jox n ASN 63 Cb 0.08 -0.56 0.26 0.00 -0.53 0.00 0.00 39.78 39.02 2jox n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jox n HIS 65 N -0.81 -0.49 -2.26 0.00 8.25 0.36 -4.96 115.22 115.32 2jox n HIS 65 Ca 0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 2jox n HIS 65 Cb 0.36 -2.71 -0.01 0.00 1.12 0.00 0.00 29.99 28.75 2jox n HIS 65 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jox s HIS 66 N -2.26 2.86 -0.54 4.41 5.65 -1.26 -4.62 115.29 119.52 2jox s HIS 66 Ca 0.00 1.54 -0.28 0.00 0.25 0.00 0.00 55.06 56.57 2jox s HIS 66 Cb 0.00 -3.37 0.01 0.00 -1.18 0.00 0.00 32.58 28.04 2jox s HIS 66 CO 0.00 -1.50 1.46 0.08 -0.65 0.00 0.00 174.74 174.12 2jox s VAL 67 N -1.57 3.76 0.14 0.89 1.01 -1.26 -1.41 120.40 121.96 2jox s VAL 67 Ca 0.65 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 63.13 2jox s VAL 67 Cb -0.28 -4.35 -0.00 0.00 0.00 0.00 0.00 36.38 31.75 2jox s VAL 67 CO 0.34 -1.07 1.73 0.40 0.00 0.00 0.00 175.10 176.49 2jox h ILE 68 N 6.43 1.16 -2.65 2.22 2.04 -1.22 -3.36 117.51 122.14 2jox h ILE 68 Ca -0.27 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.25 2jox h ILE 68 Cb 1.10 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 2jox h ILE 68 CO 1.16 0.17 0.36 0.00 0.00 0.00 0.00 178.15 179.85 2jox s ALA 69 N -5.77 -1.51 -0.03 1.87 0.00 -1.22 -3.63 121.76 111.46 2jox s ALA 69 Ca -0.13 0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2jox s ALA 69 Cb 0.10 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2jox s ALA 69 CO 0.74 -0.97 -0.17 1.03 0.00 0.00 0.00 175.76 176.39 2jox s ARG 70 N -3.55 2.37 -0.02 0.00 3.00 -1.26 -0.87 118.95 118.62 2jox s ARG 70 Ca 0.10 -0.78 0.06 0.00 0.00 0.00 0.00 55.73 55.11 2jox s ARG 70 Cb -0.03 -2.29 -0.01 0.00 0.00 0.00 0.00 34.95 32.61 2jox s ARG 70 CO 0.01 0.60 -0.20 -1.58 0.00 0.00 0.00 175.30 174.13 2jox s HIS 71 N -0.74 1.85 -0.02 -0.53 2.46 -0.21 -2.77 115.29 115.34 2jox s HIS 71 Ca 0.12 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.26 2jox s HIS 71 Cb -0.10 -1.20 0.02 0.00 -0.13 0.00 0.00 32.58 31.17 2jox s HIS 71 CO 0.01 -0.06 0.01 -2.00 -2.47 0.00 0.00 174.74 170.23 2jox s GLU 72 N -0.38 0.06 -0.07 2.88 2.12 0.04 -1.10 118.70 122.25 2jox s GLU 72 Ca 0.05 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.51 2jox s GLU 72 Cb -0.09 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.06 2jox s GLU 72 CO -0.00 -0.12 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.06 2jox s TYR 73 N 0.82 1.13 -0.03 5.30 5.04 0.06 -0.34 117.35 129.33 2jox s TYR 73 Ca -0.07 -0.43 0.04 0.00 -2.44 0.00 0.00 57.07 54.16 2jox s TYR 73 Cb -0.10 -0.94 -0.00 0.00 0.35 0.00 0.00 41.96 41.26 2jox s TYR 73 CO -0.02 -0.31 -0.14 0.95 -1.34 0.00 0.00 175.55 174.69 2jox s THR 74 N 1.16 1.16 -0.09 4.34 -4.23 0.24 -0.28 115.64 117.94 2jox s THR 74 Ca -0.06 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2jox s THR 74 Cb -0.14 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.71 2jox s THR 74 CO -0.01 0.34 -0.10 0.12 -0.54 0.00 0.00 174.62 174.43 2jox s PHE 75 N 0.08 1.48 0.02 3.99 5.36 0.71 -0.73 117.98 128.87 2jox s PHE 75 Ca -0.03 -0.64 0.06 0.00 -0.96 0.00 0.00 56.93 55.36 2jox s PHE 75 Cb -0.10 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.41 2jox s PHE 75 CO 0.01 -0.40 -0.19 -1.12 -1.46 0.00 0.00 175.22 172.07 2jox s SER 76 N 1.17 2.19 -0.21 6.13 0.01 0.29 -0.07 113.70 123.22 2jox s SER 76 Ca -0.05 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2jox s SER 76 Cb -0.14 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2jox s SER 76 CO -0.02 0.17 -0.03 -0.63 0.41 0.00 0.00 173.24 173.14 2jox s ILE 77 N -0.64 3.58 -0.22 1.44 1.01 -1.26 0.25 121.20 125.36 2jox s ILE 77 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2jox s ILE 77 Cb -0.08 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.81 2jox s ILE 77 CO 0.01 0.43 -0.15 0.00 0.00 0.00 0.00 174.94 175.22 2jox s MET 78 N 1.26 2.70 0.00 2.79 0.23 -0.48 -4.89 119.30 120.90 2jox s MET 78 Ca 0.03 -1.04 0.00 0.00 -1.03 0.00 0.00 55.69 53.65 2jox s MET 78 Cb -0.14 -2.74 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 2jox s MET 78 CO -0.01 -0.36 0.00 -3.47 -2.03 0.00 0.00 175.02 169.15 2jox n ASP 79 N 4.56 0.00 0.00 -1.18 2.03 -1.26 -0.63 116.55 120.07 2jox n ASP 79 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2jox n ASP 79 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2jox n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jox n GLU 80 N 0.00 0.41 -4.40 -0.67 1.02 -1.26 -5.06 120.64 110.68 2jox n GLU 80 Ca 0.00 -0.59 -0.20 0.00 -0.02 0.00 0.00 57.16 56.35 2jox n GLU 80 Cb 0.00 -0.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.74 2jox n GLU 80 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jox s PHE 81 N -0.14 1.78 0.03 -0.32 0.08 0.20 -0.48 117.98 119.12 2jox s PHE 81 Ca 0.00 -1.09 0.07 0.00 0.12 0.00 0.00 56.93 56.03 2jox s PHE 81 Cb 0.00 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 2jox s PHE 81 CO 0.00 -0.17 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.10 2jox s GLN 82 N -3.92 1.39 -0.10 0.44 -0.21 0.10 -1.38 119.66 115.98 2jox s GLN 82 Ca 0.36 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.93 2jox s GLN 82 Cb 0.08 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.65 2jox s GLN 82 CO 0.15 0.38 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.26 2jox s GLU 83 N -0.95 2.85 -0.10 2.91 2.02 0.14 -0.54 118.70 125.02 2jox s GLU 83 Ca 0.07 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.29 2jox s GLU 83 Cb -0.08 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.97 2jox s GLU 83 CO 0.01 0.14 -0.23 0.71 0.02 0.00 0.00 175.26 175.91 2jox s TYR 84 N 0.43 2.48 0.00 1.61 1.51 0.33 -0.55 117.35 123.17 2jox s TYR 84 Ca -0.17 -1.03 0.00 0.00 -1.01 0.00 0.00 57.07 54.86 2jox s TYR 84 Cb -0.17 -1.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.00 2jox s TYR 84 CO 0.07 -0.42 -0.01 0.95 -1.11 0.00 0.00 175.55 175.04 2jox s THR 85 N 0.39 0.03 0.01 -0.71 -4.23 0.09 -0.84 115.64 110.38 2jox s THR 85 Ca -0.18 -0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2jox s THR 85 Cb -0.18 -0.07 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 2jox s THR 85 CO 0.08 -0.10 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.70 2jox s MET 86 N -0.30 0.27 -0.26 3.99 0.00 0.06 -0.59 119.30 122.47 2jox s MET 86 Ca -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 55.69 55.28 2jox s MET 86 Cb -0.02 -0.09 0.14 0.00 0.00 0.00 0.00 34.83 34.86 2jox s MET 86 CO -0.00 0.01 0.39 -1.17 0.00 0.00 0.00 175.02 174.25 2jox s LEU 87 N -0.78 -0.67 -0.04 4.11 2.96 0.54 -1.03 118.68 123.76 2jox s LEU 87 Ca -0.07 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2jox s LEU 87 Cb -0.05 1.09 0.02 0.00 0.50 0.00 0.00 46.19 47.74 2jox s LEU 87 CO -0.00 -0.33 0.10 0.00 -1.32 0.00 0.00 176.35 174.80 2jox h LEU 89 N 6.38 0.47 0.00 0.00 5.85 -1.82 -1.68 115.31 124.51 2jox h LEU 89 Ca -0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2jox h LEU 89 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2jox h LEU 89 CO 0.45 0.33 -0.57 -0.11 -0.34 0.00 0.00 178.44 178.20 2jox n LEU 90 N -4.47 1.30 -0.14 2.25 7.94 -1.26 -2.14 117.00 120.47 2jox n LEU 90 Ca 0.05 0.33 -0.05 0.00 -1.11 0.00 0.00 56.01 55.23 2jox n LEU 90 Cb 0.13 -0.70 0.15 0.00 0.53 0.00 0.00 43.42 43.53 2jox n LEU 90 CO 0.35 -0.39 0.92 0.00 -1.11 0.00 0.00 177.39 177.15 2jox n GLY 92 N -0.70 1.93 3.27 0.00 0.00 -0.63 -4.77 105.19 104.28 2jox n GLY 92 Ca 0.03 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2jox n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jox s LYS 93 N -1.52 3.13 0.05 1.61 2.20 -0.13 -0.78 119.74 124.31 2jox s LYS 93 Ca 0.00 -0.79 -0.05 0.00 -0.36 0.00 0.00 55.97 54.77 2jox s LYS 93 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2jox s LYS 93 CO 0.00 -0.30 0.09 0.00 -0.36 0.00 0.00 175.35 174.78 2jox s ALA 94 N 1.42 0.02 -0.15 3.13 0.00 -0.20 -4.00 121.76 121.98 2jox s ALA 94 Ca 0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.16 2jox s ALA 94 Cb -0.15 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2jox s ALA 94 CO -0.03 -0.38 0.39 -2.00 0.00 0.00 0.00 175.76 173.75 2jox s GLU 95 N -3.19 0.44 0.03 0.00 2.12 -1.26 -0.76 118.70 116.08 2jox s GLU 95 Ca 0.00 0.60 -0.03 0.00 0.36 0.00 0.00 54.97 55.90 2jox s GLU 95 Cb 0.02 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2jox s GLU 95 CO -0.07 -0.08 0.03 0.34 -0.54 0.00 0.00 175.26 174.94 2jox s ASP 96 N 0.47 0.22 -0.03 -1.70 2.15 -0.02 -4.59 116.67 113.17 2jox s ASP 96 Ca -0.02 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.45 2jox s ASP 96 Cb -0.04 0.16 0.01 0.00 -0.30 0.00 0.00 42.92 42.76 2jox s ASP 96 CO -0.02 -0.40 -0.05 -0.89 -0.17 0.00 0.00 175.17 173.64 2jox s THR 97 N -2.05 0.48 -0.09 1.71 2.01 -1.26 -0.51 115.64 115.93 2jox s THR 97 Ca -0.10 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2jox s THR 97 Cb -0.05 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.99 2jox s THR 97 CO -0.03 0.18 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.25 2jox s ILE 98 N 0.51 1.82 0.03 1.82 1.01 0.29 -4.96 121.20 121.73 2jox s ILE 98 Ca -0.06 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 2jox s ILE 98 Cb -0.10 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 2jox s ILE 98 CO -0.00 0.51 0.79 -0.94 0.00 0.00 0.00 174.94 175.30 2jox s SER 99 N 0.45 7.21 0.13 3.58 1.04 -1.26 0.03 113.70 124.88 2jox s SER 99 Ca -0.17 1.45 0.02 0.00 0.48 0.00 0.00 55.95 57.73 2jox s SER 99 Cb -0.17 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 2jox s SER 99 CO 0.07 -0.04 0.08 2.30 0.98 0.00 0.00 173.24 176.63 2jox n ILE 100 N 3.07 0.00 -4.33 -1.02 -6.64 0.37 -4.89 119.36 105.92 2jox n ILE 100 Ca -0.01 -0.85 -0.17 0.00 -1.77 0.00 0.00 62.75 59.95 2jox n ILE 100 Cb 0.50 0.37 -0.10 0.00 -1.44 0.00 0.00 39.64 38.97 2jox n ILE 100 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 2jox s LEU 101 N 0.00 2.48 0.31 7.28 1.43 -1.26 -4.73 118.68 124.18 2jox s LEU 101 Ca 0.11 -1.08 0.19 0.00 -1.03 0.00 0.00 54.13 52.32 2jox s LEU 101 Cb 0.01 -0.50 1.03 0.00 0.03 0.00 0.00 46.19 46.76 2jox s LEU 101 CO 0.08 -0.30 1.56 -0.81 0.23 0.00 0.00 176.35 177.10 2jox n PRO 102 N -0.36 0.12 0.00 1.29 -0.04 -1.26 -1.34 135.00 133.41 2jox n PRO 102 Ca -0.08 0.62 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 2jox n PRO 102 Cb 0.61 -1.97 0.55 0.00 -0.04 0.00 0.00 33.50 32.66 2jox n PRO 102 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jox n ASP 103 N -2.18 0.00 -3.67 3.54 2.03 -1.26 -4.97 116.55 110.04 2jox n ASP 103 Ca -0.01 0.13 -0.28 0.00 0.52 0.00 0.00 54.79 55.15 2jox n ASP 103 Cb 0.09 -0.35 0.03 0.00 -0.72 0.00 0.00 41.12 40.16 2jox n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jox n ASP 104 N -1.35 -5.45 0.08 1.67 2.03 -0.45 -4.93 116.55 108.15 2jox n ASP 104 Ca 0.09 -0.92 0.12 0.00 0.52 0.00 0.00 54.79 54.60 2jox n ASP 104 Cb 0.21 -3.13 0.45 0.00 -0.72 0.00 0.00 41.12 37.94 2jox n ASP 104 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jox n PRO 105 N -3.69 0.15 -1.47 -0.67 -0.04 -1.26 -4.93 135.00 123.10 2jox n PRO 105 Ca -0.12 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 2jox n PRO 105 Cb 0.59 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2jox n PRO 105 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jox n ARG 106 N -2.02 -1.36 0.00 0.54 5.12 -1.26 -5.16 116.66 112.53 2jox n ARG 106 Ca 0.04 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2jox n ARG 106 Cb 0.29 -5.09 0.00 0.00 -1.16 0.00 0.00 32.46 26.50 2jox n ARG 106 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74