#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 n LEU 30 N 0.00 2.46 0.00 0.99 7.94 -1.26 -5.08 117.00 122.04 2jx9 n LEU 30 Ca 0.00 -5.09 0.00 0.00 -1.11 0.00 0.00 56.01 49.81 2jx9 n LEU 30 Cb 0.00 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2jx9 n LEU 30 CO 0.00 1.81 0.00 -2.65 -1.11 0.00 0.00 177.39 175.44 2jx9 n PRO 31 N 1.99 0.41 0.09 1.96 -0.02 -1.26 -4.71 135.00 133.46 2jx9 n PRO 31 Ca 0.23 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 2jx9 n PRO 31 Cb 0.38 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.77 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jx9 h PHE 32 N 0.00 0.63 0.00 6.00 -0.00 -1.98 -3.46 116.94 118.12 2jx9 h PHE 32 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.97 57.58 2jx9 h PHE 32 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 35.90 2jx9 h PHE 32 CO 0.00 1.25 0.00 0.41 -0.00 0.00 0.00 178.31 179.97 2jx9 n GLY 33 N 1.22 0.33 3.54 6.09 0.00 -1.26 -4.48 105.19 110.62 2jx9 n GLY 33 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2jx9 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jx9 s LEU 34 N 0.00 -1.20 0.27 0.99 1.02 -1.26 -5.12 118.68 113.38 2jx9 s LEU 34 Ca 0.00 1.42 0.00 0.00 0.02 0.00 0.00 54.13 55.57 2jx9 s LEU 34 Cb 0.00 2.27 0.00 0.00 0.02 0.00 0.00 46.19 48.48 2jx9 s LEU 34 CO 0.00 -0.23 0.00 0.80 0.02 0.00 0.00 176.35 176.94 2jx9 n MET 35 N 5.44 -2.16 -2.83 1.70 1.56 -1.26 -4.97 117.12 114.60 2jx9 n MET 35 Ca -0.10 1.63 -0.28 0.00 -0.27 0.00 0.00 57.70 58.69 2jx9 n MET 35 Cb 0.49 -1.92 -0.01 0.00 2.15 0.00 0.00 33.22 33.93 2jx9 n MET 35 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2jx9 s ARG 36 N -4.80 3.61 -0.03 2.12 0.52 0.12 -4.81 118.95 115.67 2jx9 s ARG 36 Ca 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2jx9 s ARG 36 Cb 0.00 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 33.05 2jx9 s ARG 36 CO 0.00 -0.09 0.09 0.50 0.02 0.00 0.00 175.30 175.82 2jx9 s ARG 37 N -4.34 0.09 -0.00 3.54 3.52 -1.26 -1.24 118.95 119.27 2jx9 s ARG 37 Ca 0.47 0.14 0.02 0.00 -0.13 0.00 0.00 55.73 56.24 2jx9 s ARG 37 Cb -0.10 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 2jx9 s ARG 37 CO 0.39 -0.03 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.57 2jx9 s GLU 38 N 0.17 0.53 -0.01 5.12 8.01 -0.08 -4.99 118.70 127.44 2jx9 s GLU 38 Ca -0.01 -0.27 0.00 0.00 0.01 0.00 0.00 54.97 54.71 2jx9 s GLU 38 Cb -0.02 -0.50 0.02 0.00 -4.31 0.00 0.00 34.13 29.32 2jx9 s GLU 38 CO -0.00 0.14 0.01 -1.17 0.01 0.00 0.00 175.26 174.24 2jx9 s LEU 39 N -0.24 1.42 0.00 1.80 0.20 -1.26 0.04 118.68 120.64 2jx9 s LEU 39 Ca 0.02 0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.88 2jx9 s LEU 39 Cb -0.03 -0.07 -0.01 0.00 -0.43 0.00 0.00 46.19 45.65 2jx9 s LEU 39 CO -0.00 -0.08 -0.07 0.00 -0.29 0.00 0.00 176.35 175.91 2jx9 s ALA 40 N 0.68 0.61 0.26 5.97 0.00 -0.40 -4.99 121.76 123.89 2jx9 s ALA 40 Ca -0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2jx9 s ALA 40 Cb -0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 2jx9 s ALA 40 CO -0.02 0.13 1.34 0.00 0.00 0.00 0.00 175.76 177.21 2jx9 n GLU 42 N 1.88 1.29 0.00 0.00 2.13 -0.95 -1.82 120.64 123.17 2jx9 n GLU 42 Ca 0.04 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2jx9 n GLU 42 Cb 0.42 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2jx9 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jx9 n GLY 43 N 2.08 2.78 3.59 8.31 0.00 -1.01 -4.92 105.19 116.02 2jx9 n GLY 43 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2jx9 n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jx9 s TYR 44 N -2.78 2.72 0.68 1.61 1.51 -0.76 -4.82 117.35 115.52 2jx9 s TYR 44 Ca 0.00 -0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 55.72 2jx9 s TYR 44 Cb 0.00 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2jx9 s TYR 44 CO 0.00 0.48 1.17 -1.25 -1.11 0.00 0.00 175.55 174.84 2jx9 s PRO 45 N -2.60 2.51 -0.02 -1.71 0.04 -1.26 -1.76 135.00 130.19 2jx9 s PRO 45 Ca 0.24 1.64 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2jx9 s PRO 45 Cb -0.10 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2jx9 s PRO 45 CO 0.15 -1.52 -0.25 -1.50 0.04 0.00 0.00 177.00 173.92 2jx9 s ILE 46 N -2.05 1.99 -0.07 0.56 2.07 0.70 -4.77 121.20 119.63 2jx9 s ILE 46 Ca 0.72 -1.07 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 2jx9 s ILE 46 Cb -0.26 -1.65 0.01 0.00 0.13 0.00 0.00 42.46 40.69 2jx9 s ILE 46 CO 0.42 0.56 -0.12 -0.70 -1.91 0.00 0.00 174.94 173.19 2jx9 s GLU 47 N -0.54 1.73 0.01 3.50 2.12 -1.26 -1.57 118.70 122.69 2jx9 s GLU 47 Ca 0.08 -0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2jx9 s GLU 47 Cb -0.10 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 2jx9 s GLU 47 CO -0.01 0.00 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.12 2jx9 s LEU 48 N 0.75 3.07 -0.14 2.70 1.43 -0.42 -4.96 118.68 121.11 2jx9 s LEU 48 Ca -0.13 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2jx9 s LEU 48 Cb -0.16 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.35 2jx9 s LEU 48 CO 0.03 0.27 0.34 -0.13 0.23 0.00 0.00 176.35 177.09 2jx9 s ARG 49 N -1.45 0.31 0.03 1.70 0.52 -1.26 -1.83 118.95 116.96 2jx9 s ARG 49 Ca 0.17 0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 55.98 2jx9 s ARG 49 Cb -0.11 -0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.25 2jx9 s ARG 49 CO 0.07 -0.16 0.29 0.00 0.02 0.00 0.00 175.30 175.53 2jx9 s PRO 51 N -1.85 2.44 4.97 0.00 0.04 -1.26 -4.74 135.00 134.60 2jx9 s PRO 51 Ca 0.29 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2jx9 s PRO 51 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2jx9 s PRO 51 CO 0.17 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.19 2jx9 n GLY 52 N -1.85 3.32 0.46 0.56 0.00 -1.26 -1.91 105.19 104.51 2jx9 n GLY 52 Ca 0.08 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.20 2jx9 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jx9 n SER 53 N 4.42 2.40 -4.80 1.61 3.41 -1.26 -5.04 113.62 114.37 2jx9 n SER 53 Ca 0.00 -3.39 -0.29 0.00 -0.26 0.00 0.00 58.87 54.93 2jx9 n SER 53 Cb 0.00 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 63.57 2jx9 n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jx9 s ASP 54 N -2.81 3.83 0.05 4.04 1.01 -0.80 -3.42 116.67 118.57 2jx9 s ASP 54 Ca 0.37 1.06 0.07 0.00 0.71 0.00 0.00 52.55 54.75 2jx9 s ASP 54 Cb 0.33 -1.68 -0.03 0.00 1.01 0.00 0.00 42.92 42.56 2jx9 s ASP 54 CO 0.01 -2.36 -0.19 0.68 0.21 0.00 0.00 175.17 173.52 2jx9 s VAL 55 N -3.25 1.55 0.26 -1.27 -7.23 0.29 -4.44 120.40 106.31 2jx9 s VAL 55 Ca 0.63 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 2jx9 s VAL 55 Cb -0.15 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 2jx9 s VAL 55 CO 0.53 0.13 1.29 -0.63 -0.31 0.00 0.00 175.10 176.12 2jx9 s ILE 56 N -0.85 3.04 -0.32 -0.62 1.01 0.34 -2.08 121.20 121.72 2jx9 s ILE 56 Ca 0.06 0.94 -0.00 0.00 0.00 0.00 0.00 60.65 61.64 2jx9 s ILE 56 Cb -0.09 -3.60 0.10 0.00 0.01 0.00 0.00 42.46 38.89 2jx9 s ILE 56 CO 0.02 0.18 0.11 0.00 0.00 0.00 0.00 174.94 175.24 2jx9 s MET 57 N -0.87 0.76 0.09 2.79 0.23 -0.41 -0.76 119.30 121.13 2jx9 s MET 57 Ca 0.53 -1.15 -0.31 0.00 -1.03 0.00 0.00 55.69 53.73 2jx9 s MET 57 Cb -0.37 -2.03 -0.09 0.00 -1.53 0.00 0.00 34.83 30.81 2jx9 s MET 57 CO 0.44 -1.00 1.67 0.08 -2.03 0.00 0.00 175.02 174.18 2jx9 s VAL 58 N 1.53 2.88 -0.23 5.16 1.01 -1.26 -2.36 120.40 127.11 2jx9 s VAL 58 Ca 0.10 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 2jx9 s VAL 58 Cb -0.18 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 2jx9 s VAL 58 CO -0.23 0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.94 2jx9 n GLU 59 N 5.33 0.51 -3.75 2.72 -0.58 -0.63 -4.97 120.64 119.27 2jx9 n GLU 59 Ca 0.16 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2jx9 n GLU 59 Cb 0.40 -1.35 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 2jx9 n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2jx9 s ASN 60 N -7.07 -0.22 -0.07 1.62 0.01 -0.97 -5.03 114.94 103.21 2jx9 s ASN 60 Ca -0.33 0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 51.68 2jx9 s ASN 60 Cb 0.12 0.35 0.11 0.00 0.41 0.00 0.00 41.25 42.24 2jx9 s ASN 60 CO 0.42 -0.42 0.89 0.00 -1.51 0.00 0.00 177.10 176.47 2jx9 s ALA 61 N -1.19 -1.85 -0.10 0.60 0.00 -1.26 -0.16 121.76 117.80 2jx9 s ALA 61 Ca -0.12 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 2jx9 s ALA 61 Cb -0.05 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.99 2jx9 s ALA 61 CO 0.04 -0.48 0.39 1.21 0.00 0.00 0.00 175.76 176.92 2jx9 s ASN 62 N -1.69 -0.36 -0.20 0.00 2.47 -0.70 -3.74 114.94 110.73 2jx9 s ASN 62 Ca -0.01 0.55 -0.02 0.00 0.42 0.00 0.00 52.86 53.81 2jx9 s ASN 62 Cb -0.01 0.63 0.00 0.00 -1.45 0.00 0.00 41.25 40.42 2jx9 s ASN 62 CO -0.02 -0.28 -0.11 -0.47 -3.72 0.00 0.00 177.10 172.51 2jx9 s TYR 63 N -0.41 2.88 0.00 0.43 5.04 -1.26 -2.26 117.35 121.77 2jx9 s TYR 63 Ca -0.05 -1.23 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 2jx9 s TYR 63 Cb -0.03 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.26 2jx9 s TYR 63 CO 0.02 -0.65 0.00 0.41 -1.34 0.00 0.00 175.55 174.00 2jx9 n GLY 64 N 4.68 -0.49 3.37 8.97 0.00 -0.12 -3.37 105.19 118.23 2jx9 n GLY 64 Ca -0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 2jx9 n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jx9 s ARG 65 N -1.18 0.48 -0.02 1.61 3.52 -0.94 0.11 118.95 122.55 2jx9 s ARG 65 Ca 0.00 1.16 0.03 0.00 -0.13 0.00 0.00 55.73 56.79 2jx9 s ARG 65 Cb 0.00 0.53 0.04 0.00 -1.56 0.00 0.00 34.95 33.96 2jx9 s ARG 65 CO 0.00 -0.34 1.00 0.25 -0.81 0.00 0.00 175.30 175.40 2jx9 n THR 66 N 5.42 1.07 -3.45 4.11 -2.24 -1.26 -0.16 114.28 117.77 2jx9 n THR 66 Ca -0.08 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 2jx9 n THR 66 Cb 0.50 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2jx9 n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jx9 n ASP 67 N -0.61 0.00 0.00 3.42 -0.08 -1.25 -4.73 116.55 113.30 2jx9 n ASP 67 Ca 0.02 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 2jx9 n ASP 67 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 2jx9 n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2jx9 n ASP 68 N -1.76 0.00 -1.17 1.67 5.68 -1.26 -4.37 116.55 115.33 2jx9 n ASP 68 Ca 0.00 -0.83 0.11 0.00 -0.50 0.00 0.00 54.79 53.58 2jx9 n ASP 68 Cb 0.00 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.22 2jx9 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jx9 n LYS 69 N 0.00 2.54 -4.09 0.11 5.02 -1.26 -4.87 118.16 115.61 2jx9 n LYS 69 Ca 0.00 -2.36 -0.35 0.00 -2.02 0.00 0.00 58.31 53.59 2jx9 n LYS 69 Cb 0.21 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 2jx9 n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jx9 s ILE 70 N -1.33 4.68 -0.41 -0.18 1.01 -1.26 -4.68 121.20 119.02 2jx9 s ILE 70 Ca 0.40 -0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.72 2jx9 s ILE 70 Cb 0.23 -3.08 0.04 0.00 0.01 0.00 0.00 42.46 39.66 2jx9 s ILE 70 CO 0.31 0.49 0.57 0.00 0.00 0.00 0.00 174.94 176.32 2jx9 n ASP 72 N -0.12 1.59 -2.85 0.00 5.68 -1.26 -4.91 116.55 114.68 2jx9 n ASP 72 Ca 0.01 -0.41 -0.08 0.00 -0.50 0.00 0.00 54.79 53.81 2jx9 n ASP 72 Cb 0.54 -1.37 -0.00 0.00 -1.14 0.00 0.00 41.12 39.14 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jx9 n ALA 73 N 14.35 0.23 -1.72 2.12 0.00 -1.26 -5.06 120.51 129.17 2jx9 n ALA 73 Ca 0.47 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2jx9 n ALA 73 Cb 0.38 0.29 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 2jx9 n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jx9 n ASP 74 N -1.81 3.53 -0.30 0.00 5.75 -1.26 -4.78 116.55 117.69 2jx9 n ASP 74 Ca -0.02 1.14 0.21 0.00 -0.01 0.00 0.00 54.79 56.12 2jx9 n ASP 74 Cb 0.19 -1.54 0.51 0.00 -1.03 0.00 0.00 41.12 39.25 2jx9 n ASP 74 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2jx9 h PRO 75 N 4.72 0.39 -0.74 0.11 0.13 -1.97 0.15 132.00 134.80 2jx9 h PRO 75 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2jx9 h PRO 75 Cb 1.24 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2jx9 h PRO 75 CO 0.79 0.26 0.37 0.74 -0.23 0.00 0.00 178.00 179.93 2jx9 h PHE 76 N 0.41 1.04 -0.00 1.56 0.04 -1.96 0.14 116.94 118.16 2jx9 h PHE 76 Ca 0.55 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.28 2jx9 h PHE 76 Cb 1.38 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2jx9 h PHE 76 CO -0.00 0.75 -0.19 1.04 -0.60 0.00 0.00 178.31 179.31 2jx9 n GLN 77 N -4.33 0.17 0.00 1.51 6.02 0.42 -3.31 117.38 117.85 2jx9 n GLN 77 Ca 0.07 -0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 2jx9 n GLN 77 Cb 0.13 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.95 2jx9 n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jx9 n MET 78 N -1.37 1.59 0.03 -1.09 2.81 -0.32 -0.79 117.12 117.98 2jx9 n MET 78 Ca 0.08 -1.47 -0.12 0.00 -1.81 0.00 0.00 57.70 54.38 2jx9 n MET 78 Cb 0.32 -1.35 -0.07 0.00 -0.71 0.00 0.00 33.22 31.41 2jx9 n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jx9 h GLU 79 N 3.35 0.01 -6.22 0.03 5.08 -0.79 -3.42 114.58 112.62 2jx9 h GLU 79 Ca 0.00 -0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2jx9 h GLU 79 Cb 0.75 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 2jx9 h GLU 79 CO 0.00 0.10 0.87 1.21 -1.00 0.00 0.00 179.01 180.19 2jx9 s ASN 80 N -5.29 6.93 -0.33 1.42 2.47 -1.26 -4.90 114.94 113.97 2jx9 s ASN 80 Ca -0.14 1.30 0.07 0.00 0.42 0.00 0.00 52.86 54.52 2jx9 s ASN 80 Cb 0.05 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.86 2jx9 s ASN 80 CO 0.66 -0.84 1.58 1.33 -3.72 0.00 0.00 177.10 176.12 2jx9 n VAL 81 N 5.68 2.73 -3.42 -5.21 0.24 -1.26 -4.72 118.33 112.37 2jx9 n VAL 81 Ca 0.13 -2.58 -0.27 0.00 -2.04 0.00 0.00 64.34 59.58 2jx9 n VAL 81 Cb 0.46 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.36 2jx9 n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jx9 s GLN 82 N -3.28 0.67 -0.11 7.34 -1.52 -0.84 -3.97 119.66 117.96 2jx9 s GLN 82 Ca 0.48 -1.53 -0.04 0.00 -1.95 0.00 0.00 55.36 52.31 2jx9 s GLN 82 Cb 0.43 -1.26 0.05 0.00 -0.22 0.00 0.00 33.01 32.01 2jx9 s GLN 82 CO 0.02 -1.27 0.22 0.00 -0.25 0.00 0.00 175.29 174.01 2jx9 s TYR 84 N 2.13 1.19 -0.37 0.00 1.51 -1.26 -2.21 117.35 118.34 2jx9 s TYR 84 Ca -0.00 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 2jx9 s TYR 84 Cb -0.12 -0.63 0.16 0.00 -0.11 0.00 0.00 41.96 41.26 2jx9 s TYR 84 CO -0.07 0.05 0.38 -1.17 -1.11 0.00 0.00 175.55 173.63 2jx9 s LEU 85 N -2.78 -0.07 0.24 -1.29 2.96 -1.22 -4.83 118.68 111.69 2jx9 s LEU 85 Ca 0.11 -1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 52.35 2jx9 s LEU 85 Cb -0.01 0.58 0.41 0.00 0.50 0.00 0.00 46.19 47.67 2jx9 s LEU 85 CO 0.01 -0.25 1.64 -0.65 -1.32 0.00 0.00 176.35 175.77 2jx9 h PRO 86 N 7.03 0.10 -0.16 0.98 0.11 -1.91 0.36 132.00 138.49 2jx9 h PRO 86 Ca 0.05 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.21 2jx9 h PRO 86 Cb 1.06 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2jx9 h PRO 86 CO 0.20 0.07 0.22 -0.44 -0.21 0.00 0.00 178.00 177.83 2jx9 h ASP 87 N 0.10 0.00 -0.61 -2.05 3.32 -1.96 -1.35 116.42 113.88 2jx9 h ASP 87 Ca 0.40 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.58 2jx9 h ASP 87 Cb 0.69 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 2jx9 h ASP 87 CO -0.65 0.00 0.42 0.00 -1.72 0.00 0.00 179.24 177.29 2jx9 h ALA 88 N 1.72 2.21 -0.32 3.45 0.00 -1.23 -1.48 119.26 123.63 2jx9 h ALA 88 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jx9 h ALA 88 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jx9 h ALA 88 CO -0.00 -0.37 0.01 0.35 0.00 0.00 0.00 179.25 179.24 2jx9 h PHE 89 N 0.26 0.60 -0.59 0.00 3.57 -1.32 -2.68 116.94 116.77 2jx9 h PHE 89 Ca 0.29 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2jx9 h PHE 89 Cb 0.79 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2jx9 h PHE 89 CO -0.00 0.67 0.10 1.57 -2.23 0.00 0.00 178.31 178.42 2jx9 h LYS 90 N 0.35 0.95 -0.17 1.11 2.10 -1.43 -0.25 116.57 119.23 2jx9 h LYS 90 Ca 0.09 -0.23 0.01 0.00 -2.00 0.00 0.00 60.65 58.52 2jx9 h LYS 90 Cb 0.42 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2jx9 h LYS 90 CO 0.01 0.88 0.08 0.82 -2.00 0.00 0.00 179.45 179.25 2jx9 h ILE 91 N 0.90 1.00 -0.22 0.07 2.04 -1.31 -1.69 117.51 118.31 2jx9 h ILE 91 Ca 0.18 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.84 2jx9 h ILE 91 Cb 0.39 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2jx9 h ILE 91 CO 0.01 0.03 -0.48 0.24 0.00 0.00 0.00 178.15 177.96 2jx9 h MET 92 N 0.18 0.57 -0.50 2.37 2.86 -1.30 -2.36 114.93 116.76 2jx9 h MET 92 Ca 0.07 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2jx9 h MET 92 Cb 0.01 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2jx9 h MET 92 CO -0.04 0.92 0.28 0.77 1.06 0.00 0.00 176.91 179.90 2jx9 h SER 93 N 0.45 0.44 -0.39 1.22 0.02 -0.74 0.47 113.55 115.02 2jx9 h SER 93 Ca 0.02 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2jx9 h SER 93 Cb 1.00 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2jx9 h SER 93 CO 0.09 0.31 -0.15 1.56 -1.14 0.00 0.00 176.83 177.50 2jx9 h GLN 94 N 0.55 0.87 -0.00 3.45 4.20 -1.25 0.33 115.11 123.25 2jx9 h GLN 94 Ca 0.21 -0.32 -0.21 0.00 0.06 0.00 0.00 58.65 58.39 2jx9 h GLN 94 Cb 0.06 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2jx9 h GLN 94 CO -0.11 0.96 -0.89 0.00 -0.67 0.00 0.00 178.83 178.12 2jx9 h ARG 95 N 0.77 0.29 0.00 1.46 3.08 -0.85 -3.38 114.38 115.76 2jx9 h ARG 95 Ca 0.12 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2jx9 h ARG 95 Cb 0.67 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 2jx9 h ARG 95 CO 0.05 1.01 -1.49 0.00 -1.07 0.00 0.00 179.97 178.46 2jx9 n ASN 97 N -1.89 3.25 -0.35 0.00 3.02 0.12 -1.50 115.26 117.89 2jx9 n ASN 97 Ca -0.03 1.19 -0.05 0.00 -0.03 0.00 0.00 54.58 55.66 2jx9 n ASN 97 Cb 0.30 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 37.93 2jx9 n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jx9 n ASN 98 N 1.30 -5.34 -4.48 6.41 4.13 0.06 -4.95 115.26 112.37 2jx9 n ASN 98 Ca 0.06 0.11 -0.30 0.00 1.68 0.00 0.00 54.58 56.13 2jx9 n ASN 98 Cb 0.36 -3.25 -0.12 0.00 -1.54 0.00 0.00 39.78 35.23 2jx9 n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jx9 s ARG 99 N -2.12 2.00 0.22 3.52 0.52 -0.56 -4.79 118.95 117.73 2jx9 s ARG 99 Ca 0.00 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.15 2jx9 s ARG 99 Cb 0.00 -2.19 0.19 0.00 0.52 0.00 0.00 34.95 33.48 2jx9 s ARG 99 CO 0.00 0.52 1.57 1.15 0.02 0.00 0.00 175.30 178.56 2jx9 h THR 100 N 3.74 1.31 -3.47 0.02 2.02 -1.84 0.98 112.91 115.67 2jx9 h THR 100 Ca -0.49 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 64.97 2jx9 h THR 100 Cb 1.16 1.64 -0.15 0.00 -1.74 0.00 0.00 68.15 69.06 2jx9 h THR 100 CO 0.48 0.52 -0.23 0.00 0.37 0.00 0.00 175.52 176.65 2jx9 s GLN 101 N -4.15 0.89 -0.17 6.66 -2.07 -1.26 -0.08 119.66 119.49 2jx9 s GLN 101 Ca -0.07 -0.69 -0.18 0.00 -1.82 0.00 0.00 55.36 52.60 2jx9 s GLN 101 Cb 0.12 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.47 2jx9 s GLN 101 CO 0.83 -0.31 0.49 0.00 -1.32 0.00 0.00 175.29 174.98 2jx9 s VAL 103 N 0.06 2.24 0.00 0.00 1.01 -1.26 -1.30 120.40 121.15 2jx9 s VAL 103 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2jx9 s VAL 103 Cb -0.03 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2jx9 s VAL 103 CO 0.01 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 2jx9 s VAL 104 N 0.68 0.09 -0.29 2.92 1.01 -0.61 -4.95 120.40 119.25 2jx9 s VAL 104 Ca -0.10 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 2jx9 s VAL 104 Cb -0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 2jx9 s VAL 104 CO 0.01 -0.06 1.48 -0.69 0.00 0.00 0.00 175.10 175.85 2jx9 s VAL 105 N -0.24 3.88 0.00 2.92 1.01 -1.26 -0.21 120.40 126.49 2jx9 s VAL 105 Ca -0.02 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2jx9 s VAL 105 Cb -0.02 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2jx9 s VAL 105 CO -0.00 -0.45 0.60 0.00 0.00 0.00 0.00 175.10 175.25 2jx9 n ALA 106 N 8.35 2.20 -2.00 5.51 0.00 -0.72 -4.59 120.51 129.25 2jx9 n ALA 106 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jx9 n ALA 106 Cb 0.46 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2jx9 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jx9 n GLY 107 N 1.28 0.01 4.47 0.00 0.00 -1.26 -2.41 105.19 107.28 2jx9 n GLY 107 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2jx9 n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jx9 n SER 108 N 0.00 0.00 0.00 1.61 2.88 -1.26 -1.37 113.62 115.48 2jx9 n SER 108 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jx9 n SER 108 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 2jx9 n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jx9 n ASP 109 N -2.55 0.00 0.04 -3.46 8.00 -1.26 -2.07 116.55 115.25 2jx9 n ASP 109 Ca 0.00 -0.66 0.13 0.00 0.71 0.00 0.00 54.79 54.98 2jx9 n ASP 109 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.59 2jx9 n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jx9 n ALA 110 N -0.78 2.44 -3.75 2.24 0.00 -0.47 -4.75 120.51 115.46 2jx9 n ALA 110 Ca 0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 2jx9 n ALA 110 Cb 0.03 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.91 2jx9 n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jx9 s PHE 111 N -3.04 -0.14 0.00 0.00 0.08 -0.58 -4.92 117.98 109.38 2jx9 s PHE 111 Ca 0.12 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.61 2jx9 s PHE 111 Cb 0.16 -0.11 0.00 0.00 -0.57 0.00 0.00 43.02 42.50 2jx9 s PHE 111 CO 0.58 -0.16 0.00 -2.30 -0.10 0.00 0.00 175.22 173.24 2jx9 n PRO 112 N 4.23 2.85 -3.38 0.24 -0.02 -1.26 -4.74 135.00 132.92 2jx9 n PRO 112 Ca -0.26 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.00 2jx9 n PRO 112 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.90 2jx9 n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jx9 s ASP 113 N -2.41 1.75 0.00 2.55 2.15 -1.26 -4.98 116.67 114.47 2jx9 s ASP 113 Ca 0.00 -1.94 0.29 0.00 0.43 0.00 0.00 52.55 51.33 2jx9 s ASP 113 Cb 0.00 0.17 1.20 0.00 -0.30 0.00 0.00 42.92 44.00 2jx9 s ASP 113 CO 0.00 -0.26 1.85 -0.81 -0.17 0.00 0.00 175.17 175.78 2jx9 n PRO 114 N 4.00 0.66 -2.71 4.34 -0.04 -1.26 -4.54 135.00 135.45 2jx9 n PRO 114 Ca 0.13 -0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2jx9 n PRO 114 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2jx9 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jx9 s PRO 116 N 0.61 2.25 0.00 0.00 0.04 -1.26 -3.25 135.00 133.39 2jx9 s PRO 116 Ca 0.28 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2jx9 s PRO 116 Cb 0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2jx9 s PRO 116 CO -0.13 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.58 2jx9 n GLY 117 N 0.24 0.77 3.23 0.56 0.00 -1.26 -5.02 105.19 103.71 2jx9 n GLY 117 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2jx9 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jx9 s THR 118 N -3.00 1.46 -0.36 2.61 2.01 -1.20 -4.40 115.64 112.75 2jx9 s THR 118 Ca 0.00 -1.31 -0.26 0.00 0.31 0.00 0.00 61.69 60.43 2jx9 s THR 118 Cb 0.00 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.20 2jx9 s THR 118 CO 0.00 -0.02 0.93 -0.47 -0.69 0.00 0.00 174.62 174.37 2jx9 s TYR 119 N -1.04 3.08 0.00 4.92 5.04 0.03 -5.01 117.35 124.38 2jx9 s TYR 119 Ca 0.04 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 2jx9 s TYR 119 Cb -0.09 -3.65 0.00 0.00 0.35 0.00 0.00 41.96 38.57 2jx9 s TYR 119 CO 0.03 -0.82 0.00 1.63 -1.34 0.00 0.00 175.55 175.05 2jx9 n LYS 120 N 6.77 1.52 -3.75 4.97 5.02 -1.26 -4.80 118.16 126.63 2jx9 n LYS 120 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 2jx9 n LYS 120 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2jx9 n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jx9 s TYR 121 N 0.73 -0.04 -0.06 2.13 -0.85 0.31 -2.24 117.35 117.34 2jx9 s TYR 121 Ca 0.00 -0.19 0.01 0.00 -0.52 0.00 0.00 57.07 56.37 2jx9 s TYR 121 Cb 0.00 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.97 2jx9 s TYR 121 CO 0.00 -0.58 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.24 2jx9 s LEU 122 N -3.14 1.19 -0.12 -3.49 2.96 -0.75 -0.95 118.68 114.38 2jx9 s LEU 122 Ca 0.17 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2jx9 s LEU 122 Cb 0.01 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.19 2jx9 s LEU 122 CO 0.00 -0.08 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.04 2jx9 s GLU 123 N 1.18 2.80 -0.08 1.98 2.12 -0.96 -1.27 118.70 124.48 2jx9 s GLU 123 Ca -0.07 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.49 2jx9 s GLU 123 Cb -0.14 -2.22 0.02 0.00 0.26 0.00 0.00 34.13 32.05 2jx9 s GLU 123 CO -0.01 0.05 -0.07 0.08 -0.54 0.00 0.00 175.26 174.76 2jx9 s VAL 124 N 0.66 0.87 -0.16 3.70 1.01 0.11 -1.72 120.40 124.87 2jx9 s VAL 124 Ca -0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2jx9 s VAL 124 Cb -0.16 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2jx9 s VAL 124 CO 0.02 0.32 -0.06 -1.10 0.00 0.00 0.00 175.10 174.29 2jx9 s GLN 125 N 1.25 3.59 0.21 2.72 1.11 0.77 -0.91 119.66 128.41 2jx9 s GLN 125 Ca -0.04 -0.56 -0.14 0.00 0.01 0.00 0.00 55.36 54.62 2jx9 s GLN 125 Cb -0.14 -2.87 0.01 0.00 -1.01 0.00 0.00 33.01 29.01 2jx9 s GLN 125 CO -0.02 0.20 0.47 1.52 0.01 0.00 0.00 175.29 177.47 2jx9 s TYR 126 N 0.45 0.14 0.24 0.91 1.13 -0.37 -1.61 117.35 118.24 2jx9 s TYR 126 Ca -0.05 -0.50 0.11 0.00 -1.41 0.00 0.00 57.07 55.22 2jx9 s TYR 126 Cb -0.15 0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 2jx9 s TYR 126 CO 0.03 -0.93 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.47 2jx9 s ASP 127 N -2.94 3.78 -0.25 -0.18 1.01 -1.00 0.14 116.67 117.23 2jx9 s ASP 127 Ca 0.15 -0.87 -0.06 0.00 0.71 0.00 0.00 52.55 52.48 2jx9 s ASP 127 Cb -0.00 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.49 2jx9 s ASP 127 CO 0.02 0.06 0.03 0.00 0.21 0.00 0.00 175.17 175.50 2jx9 s VAL 129 N 1.53 2.24 0.53 0.00 -7.23 -0.88 -4.81 120.40 111.78 2jx9 s VAL 129 Ca 0.05 -2.09 -0.21 0.00 -1.81 0.00 0.00 61.98 57.93 2jx9 s VAL 129 Cb -0.15 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 2jx9 s VAL 129 CO 0.01 -0.24 0.94 -2.65 -0.31 0.00 0.00 175.10 172.86 2jx9 n PRO 130 N 0.07 1.05 0.00 4.82 -0.02 -1.26 0.11 135.00 139.76 2jx9 n PRO 130 Ca -0.11 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2jx9 n PRO 130 Cb 0.57 -2.09 0.66 0.00 -0.02 0.00 0.00 33.50 32.63 2jx9 n PRO 130 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2jx9 n TYR 131 N -1.27 0.00 -3.79 6.00 9.36 -1.22 -4.47 117.16 121.77 2jx9 n TYR 131 Ca 0.12 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.07 2jx9 n TYR 131 Cb 0.44 -0.15 -0.17 0.00 -0.63 0.00 0.00 39.34 38.84 2jx9 n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jx9 s LYS 132 N -2.30 0.90 -0.11 2.98 1.02 -1.26 -5.07 119.74 115.90 2jx9 s LYS 132 Ca 0.30 -0.40 -0.16 0.00 0.02 0.00 0.00 55.97 55.72 2jx9 s LYS 132 Cb 0.16 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 2jx9 s LYS 132 CO 0.33 -0.54 0.39 0.08 -0.92 0.00 0.00 175.35 174.69 2jx9 s VAL 133 N 1.79 5.20 0.00 3.17 1.01 -1.26 -5.20 120.40 125.11 2jx9 s VAL 133 Ca -0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2jx9 s VAL 133 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2jx9 s VAL 133 CO -0.07 0.40 0.00 -1.84 0.00 0.00 0.00 175.10 173.59