#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 s LEU 30 N 0.00 3.10 0.48 0.99 1.02 -1.26 -5.11 118.68 117.90 2jx9 s LEU 30 Ca 0.00 -2.83 -0.22 0.00 0.02 0.00 0.00 54.13 51.10 2jx9 s LEU 30 Cb 0.00 -1.16 -0.09 0.00 0.02 0.00 0.00 46.19 44.96 2jx9 s LEU 30 CO 0.00 -0.24 0.92 -2.65 0.02 0.00 0.00 176.35 174.40 2jx9 n PRO 31 N 3.29 1.11 -0.05 1.29 -0.02 -1.26 -4.87 135.00 134.49 2jx9 n PRO 31 Ca 0.10 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2jx9 n PRO 31 Cb 0.35 -2.01 0.38 0.00 -0.02 0.00 0.00 33.50 32.20 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jx9 n PHE 32 N -0.95 0.12 0.00 6.00 7.35 -1.26 -4.88 117.46 123.84 2jx9 n PHE 32 Ca 0.11 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2jx9 n PHE 32 Cb 0.42 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.25 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jx9 n GLY 33 N 0.90 2.15 2.72 7.13 0.00 -1.26 -4.59 105.19 112.23 2jx9 n GLY 33 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jx9 n GLY 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jx9 n LEU 34 N 0.00 -2.48 -1.41 0.99 -0.00 -1.26 -5.14 117.00 107.71 2jx9 n LEU 34 Ca 0.00 -3.59 0.18 0.00 -0.00 0.00 0.00 56.01 52.60 2jx9 n LEU 34 Cb 0.00 0.89 -0.06 0.00 -0.00 0.00 0.00 43.42 44.25 2jx9 n LEU 34 CO 0.00 2.05 -0.39 0.23 -0.00 0.00 0.00 177.39 179.28 2jx9 n MET 35 N 0.89 -2.95 -3.38 1.47 2.81 -1.26 -4.81 117.12 109.90 2jx9 n MET 35 Ca 0.08 2.14 -0.33 0.00 -1.81 0.00 0.00 57.70 57.78 2jx9 n MET 35 Cb 0.67 -3.56 -0.06 0.00 -0.71 0.00 0.00 33.22 29.56 2jx9 n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jx9 s ARG 36 N -3.01 3.88 -0.11 0.03 0.52 0.75 -4.67 118.95 116.35 2jx9 s ARG 36 Ca 0.00 0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 55.54 2jx9 s ARG 36 Cb 0.00 -2.75 0.05 0.00 0.52 0.00 0.00 34.95 32.77 2jx9 s ARG 36 CO 0.00 0.38 0.25 0.50 0.02 0.00 0.00 175.30 176.45 2jx9 s ARG 37 N -2.47 0.19 0.02 3.54 3.52 -1.26 -0.99 118.95 121.50 2jx9 s ARG 37 Ca 0.44 0.61 0.06 0.00 -0.13 0.00 0.00 55.73 56.70 2jx9 s ARG 37 Cb -0.13 -0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.15 2jx9 s ARG 37 CO 0.20 -0.20 -0.19 -1.21 -0.81 0.00 0.00 175.30 173.09 2jx9 s GLU 38 N 1.65 1.33 0.01 5.12 8.01 -0.64 -4.98 118.70 129.20 2jx9 s GLU 38 Ca -0.06 -0.81 0.00 0.00 0.01 0.00 0.00 54.97 54.12 2jx9 s GLU 38 Cb -0.11 -1.37 -0.01 0.00 -4.31 0.00 0.00 34.13 28.33 2jx9 s GLU 38 CO -0.09 0.36 -0.03 -1.17 0.01 0.00 0.00 175.26 174.35 2jx9 s LEU 39 N -0.91 2.12 -0.02 1.80 0.20 -1.26 -0.74 118.68 119.87 2jx9 s LEU 39 Ca 0.06 -0.27 -0.03 0.00 0.69 0.00 0.00 54.13 54.59 2jx9 s LEU 39 Cb -0.08 -0.00 0.01 0.00 -0.43 0.00 0.00 46.19 45.68 2jx9 s LEU 39 CO 0.01 -0.14 0.07 0.00 -0.29 0.00 0.00 176.35 176.00 2jx9 s ALA 40 N -0.74 -0.17 0.25 5.97 0.00 -0.57 -4.98 121.76 121.52 2jx9 s ALA 40 Ca -0.07 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 2jx9 s ALA 40 Cb -0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 2jx9 s ALA 40 CO -0.00 -0.05 1.42 0.00 0.00 0.00 0.00 175.76 177.12 2jx9 n GLU 42 N 2.20 1.06 0.00 0.00 2.13 -1.00 -1.54 120.64 123.48 2jx9 n GLU 42 Ca 0.06 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2jx9 n GLU 42 Cb 0.41 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 1.88 2.18 3.62 8.31 0.00 -0.78 -4.92 105.19 115.47 2jx9 n GLY 43 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.45 2.83 0.59 1.61 1.51 -0.59 -4.81 117.35 116.04 2jx9 s TYR 44 Ca 0.00 -0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 2jx9 s TYR 44 Cb 0.00 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 2jx9 s TYR 44 CO 0.00 0.44 1.15 -1.25 -1.11 0.00 0.00 175.55 174.78 2jx9 s PRO 45 N -2.22 3.08 -0.01 -1.71 0.04 -1.26 -1.93 135.00 130.99 2jx9 s PRO 45 Ca 0.23 1.63 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2jx9 s PRO 45 Cb -0.11 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2jx9 s PRO 45 CO 0.15 -1.07 -0.25 -1.50 0.04 0.00 0.00 177.00 174.37 2jx9 s ILE 46 N -1.86 2.00 -0.11 0.56 2.07 0.70 -4.84 121.20 119.72 2jx9 s ILE 46 Ca 0.73 -1.11 0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2jx9 s ILE 46 Cb -0.25 -1.66 0.00 0.00 0.13 0.00 0.00 42.46 40.68 2jx9 s ILE 46 CO 0.32 0.53 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.97 2jx9 s GLU 47 N -0.67 2.87 -0.02 3.50 2.12 -1.26 -1.92 118.70 123.32 2jx9 s GLU 47 Ca 0.10 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.67 2jx9 s GLU 47 Cb -0.10 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 2jx9 s GLU 47 CO -0.01 0.10 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.13 2jx9 s LEU 48 N 0.53 2.57 -0.16 2.70 1.43 -0.64 -4.99 118.68 120.12 2jx9 s LEU 48 Ca -0.15 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 2jx9 s LEU 48 Cb -0.17 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.60 2jx9 s LEU 48 CO 0.05 0.32 0.39 -0.13 0.23 0.00 0.00 176.35 177.20 2jx9 s ARG 49 N -0.91 0.39 -0.05 1.70 0.52 -1.26 -1.93 118.95 117.41 2jx9 s ARG 49 Ca 0.12 0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 55.99 2jx9 s ARG 49 Cb -0.10 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 2jx9 s ARG 49 CO 0.02 -0.13 0.10 0.00 0.02 0.00 0.00 175.30 175.31 2jx9 s PRO 51 N -1.41 2.62 4.54 0.00 0.04 -1.26 -4.72 135.00 134.80 2jx9 s PRO 51 Ca 0.20 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2jx9 s PRO 51 Cb -0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2jx9 s PRO 51 CO 0.10 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2jx9 n GLY 52 N -1.29 2.70 1.85 0.56 0.00 -1.26 -2.09 105.19 105.65 2jx9 n GLY 52 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 1.11 4.69 -4.89 1.61 3.41 -1.26 -4.98 113.62 113.31 2jx9 n SER 53 Ca 0.00 -3.22 -0.29 0.00 -0.26 0.00 0.00 58.87 55.10 2jx9 n SER 53 Cb 0.00 -0.72 0.05 0.00 -0.26 0.00 0.00 64.21 63.28 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 -1.19 5.27 0.06 4.04 1.01 -0.89 -1.84 116.67 123.12 2jx9 s ASP 54 Ca 0.54 0.98 0.06 0.00 0.71 0.00 0.00 52.55 54.84 2jx9 s ASP 54 Cb 0.43 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 42.59 2jx9 s ASP 54 CO 0.12 -1.42 -0.17 0.68 0.21 0.00 0.00 175.17 174.60 2jx9 s VAL 55 N -3.35 1.33 0.29 -1.27 -7.23 0.24 -4.37 120.40 106.04 2jx9 s VAL 55 Ca 0.58 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 2jx9 s VAL 55 Cb -0.11 -1.20 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 2jx9 s VAL 55 CO 0.50 -0.00 1.29 -0.63 -0.31 0.00 0.00 175.10 175.95 2jx9 s ILE 56 N -0.97 2.91 -0.31 -0.62 1.01 0.28 -2.41 121.20 121.10 2jx9 s ILE 56 Ca 0.03 0.87 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 2jx9 s ILE 56 Cb -0.09 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 38.93 2jx9 s ILE 56 CO 0.02 0.19 0.10 0.00 0.00 0.00 0.00 174.94 175.25 2jx9 s MET 57 N -1.29 0.68 0.06 2.79 0.23 -0.33 -1.25 119.30 120.20 2jx9 s MET 57 Ca 0.51 -1.04 -0.31 0.00 -1.03 0.00 0.00 55.69 53.82 2jx9 s MET 57 Cb -0.38 -1.94 -0.08 0.00 -1.53 0.00 0.00 34.83 30.90 2jx9 s MET 57 CO 0.48 -0.99 1.62 0.08 -2.03 0.00 0.00 175.02 174.17 2jx9 s VAL 58 N 1.65 3.11 -0.24 5.16 1.01 -1.26 -2.31 120.40 127.52 2jx9 s VAL 58 Ca 0.10 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 2jx9 s VAL 58 Cb -0.17 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 2jx9 s VAL 58 CO -0.26 -0.00 -0.29 -0.62 0.00 0.00 0.00 175.10 173.93 2jx9 n GLU 59 N 5.52 0.51 -3.70 2.72 1.02 -0.19 -4.96 120.64 121.56 2jx9 n GLU 59 Ca 0.15 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 2jx9 n GLU 59 Cb 0.41 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 2jx9 n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jx9 s ASN 60 N -7.01 -0.30 -0.04 1.62 0.01 -1.09 -5.03 114.94 103.09 2jx9 s ASN 60 Ca -0.33 0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 2jx9 s ASN 60 Cb 0.12 0.37 0.11 0.00 0.41 0.00 0.00 41.25 42.26 2jx9 s ASN 60 CO 0.43 -0.50 0.91 0.00 -1.51 0.00 0.00 177.10 176.44 2jx9 s ALA 61 N -1.36 -1.85 -0.10 0.60 0.00 -1.26 0.02 121.76 117.80 2jx9 s ALA 61 Ca -0.13 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 2jx9 s ALA 61 Cb -0.04 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.30 2jx9 s ALA 61 CO 0.05 -0.61 0.38 1.21 0.00 0.00 0.00 175.76 176.79 2jx9 s ASN 62 N -2.19 -0.35 -0.27 0.00 2.47 -0.46 -3.92 114.94 110.21 2jx9 s ASN 62 Ca 0.04 0.58 -0.04 0.00 0.42 0.00 0.00 52.86 53.86 2jx9 s ASN 62 Cb -0.01 0.65 0.02 0.00 -1.45 0.00 0.00 41.25 40.46 2jx9 s ASN 62 CO -0.06 -0.24 0.00 -0.47 -3.72 0.00 0.00 177.10 172.61 2jx9 s TYR 63 N -0.28 3.12 0.00 0.43 5.04 -1.26 -1.88 117.35 122.52 2jx9 s TYR 63 Ca -0.04 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.24 2jx9 s TYR 63 Cb -0.03 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.13 2jx9 s TYR 63 CO 0.02 -0.68 0.00 0.41 -1.34 0.00 0.00 175.55 173.96 2jx9 n GLY 64 N 4.74 -0.56 3.39 8.97 0.00 0.55 -3.25 105.19 119.05 2jx9 n GLY 64 Ca -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.74 0.47 0.00 1.61 3.52 -0.93 0.21 118.95 123.10 2jx9 s ARG 65 Ca 0.00 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.78 2jx9 s ARG 65 Cb 0.00 0.54 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 2jx9 s ARG 65 CO 0.00 -0.31 0.66 0.25 -0.81 0.00 0.00 175.30 175.09 2jx9 n THR 66 N 5.42 0.44 -3.87 4.11 -2.24 -1.26 0.05 114.28 116.93 2jx9 n THR 66 Ca -0.09 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 2jx9 n THR 66 Cb 0.49 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.53 2jx9 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jx9 s ASP 67 N -0.44 0.04 0.00 3.42 -1.08 -1.26 -4.79 116.67 112.56 2jx9 s ASP 67 Ca 0.00 -0.27 0.11 0.00 -0.52 0.00 0.00 52.55 51.87 2jx9 s ASP 67 Cb 0.00 0.23 0.17 0.00 -1.46 0.00 0.00 42.92 41.86 2jx9 s ASP 67 CO 0.00 -0.44 1.00 -0.90 0.52 0.00 0.00 175.17 175.35 2jx9 n ASP 68 N 1.17 2.29 -0.89 -0.34 5.68 -1.26 -4.42 116.55 118.78 2jx9 n ASP 68 Ca -0.21 -1.66 0.10 0.00 -0.50 0.00 0.00 54.79 52.52 2jx9 n ASP 68 Cb 0.57 -0.09 0.12 0.00 -1.14 0.00 0.00 41.12 40.58 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 0.58 2.03 -4.60 0.11 5.02 -1.26 -4.86 118.16 115.18 2jx9 n LYS 69 Ca 0.08 -1.87 -0.34 0.00 -2.02 0.00 0.00 58.31 54.16 2jx9 n LYS 69 Cb 0.33 -1.42 -0.12 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.60 3.60 -0.89 -0.18 -1.09 -1.26 -4.68 121.20 115.09 2jx9 s ILE 70 Ca 0.28 -0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 2jx9 s ILE 70 Cb 0.18 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 2jx9 s ILE 70 CO 0.27 0.55 0.79 0.00 -1.23 0.00 0.00 174.94 175.32 2jx9 n ASP 72 N -2.46 1.15 -1.39 0.00 5.68 -1.26 -4.90 116.55 113.38 2jx9 n ASP 72 Ca -0.04 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 2jx9 n ASP 72 Cb 0.56 -1.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 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 12.86 0.00 -1.76 2.12 0.00 -1.26 -5.09 120.51 127.38 2jx9 n ALA 73 Ca 0.54 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.59 2jx9 n ALA 73 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.72 2jx9 n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jx9 s ASP 74 N -0.66 5.80 0.27 0.00 -4.77 -1.26 -4.78 116.67 111.28 2jx9 s ASP 74 Ca 0.00 2.66 0.01 0.00 -3.30 0.00 0.00 52.55 51.92 2jx9 s ASP 74 Cb 0.00 -2.63 0.58 0.00 -1.09 0.00 0.00 42.92 39.78 2jx9 s ASP 74 CO 0.00 -1.20 1.76 1.55 0.70 0.00 0.00 175.17 177.98 2jx9 h PRO 75 N 2.00 0.63 -0.49 2.11 0.13 -1.98 0.13 132.00 134.54 2jx9 h PRO 75 Ca -0.50 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2jx9 h PRO 75 Cb 1.27 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2jx9 h PRO 75 CO 0.60 0.42 0.16 0.74 -0.23 0.00 0.00 178.00 179.68 2jx9 h PHE 76 N 0.65 0.73 -0.00 1.56 0.04 -1.96 0.26 116.94 118.22 2jx9 h PHE 76 Ca 0.49 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2jx9 h PHE 76 Cb 0.72 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2jx9 h PHE 76 CO -0.08 0.60 -0.24 1.04 -0.60 0.00 0.00 178.31 179.03 2jx9 n GLN 77 N -4.32 0.46 0.00 1.51 6.02 -0.29 -3.48 117.38 117.29 2jx9 n GLN 77 Ca 0.04 -0.21 0.08 0.00 -0.01 0.00 0.00 57.00 56.90 2jx9 n GLN 77 Cb 0.18 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.08 1.60 -0.06 -1.09 2.81 0.31 -1.34 117.12 118.26 2jx9 n MET 78 Ca 0.11 -0.62 -0.11 0.00 -1.81 0.00 0.00 57.70 55.26 2jx9 n MET 78 Cb 0.32 -1.30 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.41 0.34 -6.23 0.03 5.08 -0.60 -3.43 114.58 111.18 2jx9 h GLU 79 Ca 0.00 -0.09 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 2jx9 h GLU 79 Cb 0.53 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 2jx9 h GLU 79 CO 0.00 0.49 0.88 1.21 -1.00 0.00 0.00 179.01 180.59 2jx9 s ASN 80 N -5.77 6.91 -0.37 1.42 2.47 -1.26 -4.90 114.94 113.43 2jx9 s ASN 80 Ca -0.14 1.31 0.06 0.00 0.42 0.00 0.00 52.86 54.51 2jx9 s ASN 80 Cb 0.07 -2.54 0.53 0.00 -1.45 0.00 0.00 41.25 37.86 2jx9 s ASN 80 CO 0.72 -0.85 1.61 1.33 -3.72 0.00 0.00 177.10 176.19 2jx9 n VAL 81 N 5.71 2.83 -3.40 -5.21 0.24 -1.26 -4.76 118.33 112.48 2jx9 n VAL 81 Ca 0.13 -2.74 -0.24 0.00 -2.04 0.00 0.00 64.34 59.45 2jx9 n VAL 81 Cb 0.46 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.37 0.64 -0.11 7.34 -1.52 -0.84 -4.15 119.66 117.65 2jx9 s GLN 82 Ca 0.51 -1.27 -0.04 0.00 -1.95 0.00 0.00 55.36 52.60 2jx9 s GLN 82 Cb 0.44 -1.09 0.06 0.00 -0.22 0.00 0.00 33.01 32.20 2jx9 s GLN 82 CO 0.02 -1.23 0.23 0.00 -0.25 0.00 0.00 175.29 174.06 2jx9 s TYR 84 N 2.13 0.82 -0.38 0.00 1.51 -1.26 -2.18 117.35 117.99 2jx9 s TYR 84 Ca -0.01 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.48 2jx9 s TYR 84 Cb -0.12 -0.47 0.15 0.00 -0.11 0.00 0.00 41.96 41.41 2jx9 s TYR 84 CO -0.08 -0.07 0.34 -1.17 -1.11 0.00 0.00 175.55 173.46 2jx9 s LEU 85 N -2.01 0.31 0.21 -1.29 2.96 -1.20 -4.81 118.68 112.85 2jx9 s LEU 85 Ca -0.03 -1.91 -0.13 0.00 -0.22 0.00 0.00 54.13 51.84 2jx9 s LEU 85 Cb -0.06 0.26 0.24 0.00 0.50 0.00 0.00 46.19 47.13 2jx9 s LEU 85 CO -0.01 -0.25 1.63 -0.65 -1.32 0.00 0.00 176.35 175.75 2jx9 h PRO 86 N 6.81 0.01 0.00 0.98 0.11 -1.91 0.79 132.00 138.78 2jx9 h PRO 86 Ca 0.08 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2jx9 h PRO 86 Cb 1.02 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jx9 h PRO 86 CO 0.22 0.01 0.24 -0.44 -0.21 0.00 0.00 178.00 177.82 2jx9 h ASP 87 N 0.01 0.00 -0.59 -2.05 3.32 -1.96 -0.40 116.42 114.75 2jx9 h ASP 87 Ca 0.30 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.42 2jx9 h ASP 87 Cb 0.47 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2jx9 h ASP 87 CO -0.64 0.00 0.39 0.00 -1.72 0.00 0.00 179.24 177.27 2jx9 h ALA 88 N 1.50 1.85 -0.65 3.45 0.00 -1.15 -1.57 119.26 122.69 2jx9 h ALA 88 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jx9 h ALA 88 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jx9 h ALA 88 CO 0.00 0.05 0.16 0.35 0.00 0.00 0.00 179.25 179.81 2jx9 h PHE 89 N 0.55 1.10 -0.60 0.00 3.57 -1.18 -2.72 116.94 117.67 2jx9 h PHE 89 Ca 0.26 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2jx9 h PHE 89 Cb 0.31 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2jx9 h PHE 89 CO -0.00 0.91 0.02 1.57 -2.23 0.00 0.00 178.31 178.59 2jx9 h LYS 90 N 0.97 1.04 -0.15 1.11 2.10 -1.44 -0.28 116.57 119.92 2jx9 h LYS 90 Ca 0.21 -0.32 0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2jx9 h LYS 90 Cb 0.37 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2jx9 h LYS 90 CO 0.00 1.01 0.08 0.82 -2.00 0.00 0.00 179.45 179.37 2jx9 h ILE 91 N 0.94 1.01 -0.39 0.07 2.04 -1.34 -1.14 117.51 118.70 2jx9 h ILE 91 Ca 0.17 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.82 2jx9 h ILE 91 Cb 0.53 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2jx9 h ILE 91 CO 0.03 0.03 -0.37 0.24 0.00 0.00 0.00 178.15 178.08 2jx9 h MET 92 N 0.18 0.91 -0.46 2.37 2.86 -1.41 -2.16 114.93 117.22 2jx9 h MET 92 Ca 0.06 -0.47 0.01 0.00 -2.06 0.00 0.00 59.70 57.24 2jx9 h MET 92 Cb -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2jx9 h MET 92 CO -0.03 1.12 0.29 0.77 1.06 0.00 0.00 176.91 180.12 2jx9 h SER 93 N 0.75 0.49 -0.26 1.22 0.02 -0.84 0.39 113.55 115.33 2jx9 h SER 93 Ca 0.07 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2jx9 h SER 93 Cb 0.95 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2jx9 h SER 93 CO 0.09 0.35 -0.11 1.56 -1.14 0.00 0.00 176.83 177.58 2jx9 h GLN 94 N 0.59 0.66 0.01 3.45 4.20 -1.18 0.46 115.11 123.30 2jx9 h GLN 94 Ca 0.18 -0.20 -0.20 0.00 0.06 0.00 0.00 58.65 58.49 2jx9 h GLN 94 Cb -0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2jx9 h GLN 94 CO -0.06 0.75 -0.89 0.00 -0.67 0.00 0.00 178.83 177.96 2jx9 h ARG 95 N 0.60 0.14 0.00 1.46 3.08 -0.70 -3.37 114.38 115.59 2jx9 h ARG 95 Ca 0.11 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jx9 h ARG 95 Cb 0.54 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2jx9 h ARG 95 CO 0.03 0.94 -0.81 0.00 -1.07 0.00 0.00 179.97 179.06 2jx9 s ASN 97 N -2.25 6.44 -0.55 0.00 -0.87 0.16 -1.88 114.94 116.00 2jx9 s ASN 97 Ca 0.00 2.87 0.00 0.00 -1.57 0.00 0.00 52.86 54.17 2jx9 s ASN 97 Cb 0.05 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2jx9 s ASN 97 CO 0.31 -0.86 0.00 0.59 -2.57 0.00 0.00 177.10 174.57 2jx9 n ASN 98 N 2.31 -5.31 -4.54 -1.22 3.02 -0.38 -4.95 115.26 104.19 2jx9 n ASN 98 Ca 0.08 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 2jx9 n ASN 98 Cb 0.38 -3.26 -0.11 0.00 -0.61 0.00 0.00 39.78 36.18 2jx9 n ASN 98 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jx9 s ARG 99 N -2.17 2.35 0.23 3.52 0.52 -0.79 -4.81 118.95 117.81 2jx9 s ARG 99 Ca 0.00 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2jx9 s ARG 99 Cb 0.00 -2.37 0.24 0.00 0.52 0.00 0.00 34.95 33.33 2jx9 s ARG 99 CO 0.00 0.57 1.55 1.15 0.02 0.00 0.00 175.30 178.59 2jx9 h THR 100 N 3.77 1.39 -2.97 0.02 2.02 -1.85 0.81 112.91 116.11 2jx9 h THR 100 Ca -0.48 -2.02 -0.08 0.00 0.77 0.00 0.00 66.41 64.60 2jx9 h THR 100 Cb 1.16 2.03 -0.17 0.00 -1.74 0.00 0.00 68.15 69.43 2jx9 h THR 100 CO 0.51 0.60 -0.11 0.00 0.37 0.00 0.00 175.52 176.89 2jx9 s GLN 101 N -3.72 0.89 0.07 6.66 1.03 -1.26 -0.05 119.66 123.27 2jx9 s GLN 101 Ca -0.04 -0.30 -0.17 0.00 0.04 0.00 0.00 55.36 54.90 2jx9 s GLN 101 Cb 0.12 0.40 0.03 0.00 0.03 0.00 0.00 33.01 33.59 2jx9 s GLN 101 CO 0.80 -0.30 0.38 0.00 -2.54 0.00 0.00 175.29 173.64 2jx9 s VAL 103 N -2.88 0.77 0.03 0.00 1.01 -1.26 -1.63 120.40 116.44 2jx9 s VAL 103 Ca -0.03 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2jx9 s VAL 103 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2jx9 s VAL 103 CO -0.05 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.56 2jx9 s VAL 104 N 1.33 0.75 -0.31 2.92 1.01 -0.81 -4.96 120.40 120.33 2jx9 s VAL 104 Ca -0.04 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2jx9 s VAL 104 Cb -0.14 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2jx9 s VAL 104 CO -0.03 -0.09 0.96 -0.69 0.00 0.00 0.00 175.10 175.25 2jx9 s VAL 105 N -0.84 4.62 0.00 2.92 1.01 -1.26 -0.22 120.40 126.64 2jx9 s VAL 105 Ca -0.02 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2jx9 s VAL 105 Cb -0.07 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2jx9 s VAL 105 CO 0.01 -0.39 0.91 0.00 0.00 0.00 0.00 175.10 175.63 2jx9 n ALA 106 N 6.60 2.59 0.00 5.51 0.00 -0.81 -4.62 120.51 129.78 2jx9 n ALA 106 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jx9 n ALA 106 Cb 0.47 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.43 -0.26 3.95 0.00 0.00 -1.26 -1.87 105.19 107.17 2jx9 n GLY 107 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.80 113.62 116.05 2jx9 n SER 108 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2jx9 n SER 108 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 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 -2.26 0.00 0.06 -3.46 9.92 -1.26 -1.77 116.55 117.78 2jx9 n ASP 109 Ca 0.00 -0.28 0.13 0.00 -0.53 0.00 0.00 54.79 54.11 2jx9 n ASP 109 Cb 0.00 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 40.78 2jx9 n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jx9 n ALA 110 N -0.92 2.74 -3.74 2.24 0.00 -0.31 -4.81 120.51 115.72 2jx9 n ALA 110 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2jx9 n ALA 110 Cb 0.02 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.11 -0.26 0.00 0.00 0.40 0.02 -4.89 117.98 110.14 2jx9 s PHE 111 Ca 0.09 0.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.08 2jx9 s PHE 111 Cb 0.14 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.66 2jx9 s PHE 111 CO 0.66 -0.21 0.00 -2.30 0.70 0.00 0.00 175.22 174.07 2jx9 n PRO 112 N 4.23 3.14 -3.33 0.24 -0.02 -1.26 -4.64 135.00 133.36 2jx9 n PRO 112 Ca -0.26 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.03 2jx9 n PRO 112 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.92 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 1.23 0.00 2.55 -1.08 -1.26 -4.96 116.67 110.74 2jx9 s ASP 113 Ca 0.00 -1.98 0.27 0.00 -0.52 0.00 0.00 52.55 50.32 2jx9 s ASP 113 Cb 0.00 0.35 1.43 0.00 -1.46 0.00 0.00 42.92 43.24 2jx9 s ASP 113 CO 0.00 -0.23 1.94 -0.81 0.52 0.00 0.00 175.17 176.59 2jx9 n PRO 114 N 3.81 0.49 -2.71 4.34 -0.04 -1.26 -4.29 135.00 135.34 2jx9 n PRO 114 Ca 0.16 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2jx9 n PRO 114 Cb 0.45 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2jx9 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jx9 n PRO 116 N 0.80 1.38 -0.06 0.00 -0.04 -1.26 -2.05 135.00 133.76 2jx9 n PRO 116 Ca 0.03 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2jx9 n PRO 116 Cb 0.70 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2jx9 n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jx9 n GLY 117 N 1.08 1.24 3.32 0.55 0.00 -1.26 -5.03 105.19 105.09 2jx9 n GLY 117 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.51 1.94 -0.28 2.61 2.01 -0.87 -4.44 115.64 114.12 2jx9 s THR 118 Ca 0.00 -1.57 -0.25 0.00 0.31 0.00 0.00 61.69 60.18 2jx9 s THR 118 Cb 0.00 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.78 2jx9 s THR 118 CO 0.00 0.07 0.88 -0.47 -0.69 0.00 0.00 174.62 174.41 2jx9 s TYR 119 N -1.05 3.25 0.00 4.92 6.14 -0.45 -4.96 117.35 125.20 2jx9 s TYR 119 Ca 0.10 1.08 0.00 0.00 0.64 0.00 0.00 57.07 58.88 2jx9 s TYR 119 Cb -0.10 -3.25 0.00 0.00 0.42 0.00 0.00 41.96 39.03 2jx9 s TYR 119 CO 0.04 -0.53 0.00 1.63 0.64 0.00 0.00 175.55 177.33 2jx9 n LYS 120 N 6.26 2.37 -3.76 4.97 5.02 -1.26 -4.75 118.16 127.01 2jx9 n LYS 120 Ca 0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2jx9 n LYS 120 Cb 0.47 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 1.41 -0.03 -0.07 2.13 -0.85 0.55 -2.38 117.35 118.11 2jx9 s TYR 121 Ca 0.00 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2jx9 s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jx9 s TYR 121 CO 0.00 -0.52 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.28 2jx9 s LEU 122 N -3.19 1.21 -0.12 -3.49 2.96 -0.67 -0.33 118.68 115.04 2jx9 s LEU 122 Ca 0.18 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2jx9 s LEU 122 Cb 0.01 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.06 2jx9 s LEU 122 CO -0.00 -0.08 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.02 2jx9 s GLU 123 N 1.30 3.03 -0.09 1.98 2.56 -0.79 -1.52 118.70 125.17 2jx9 s GLU 123 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 54.97 54.07 2jx9 s GLU 123 Cb -0.14 -2.37 0.02 0.00 2.00 0.00 0.00 34.13 33.65 2jx9 s GLU 123 CO -0.03 0.08 -0.08 0.08 -0.56 0.00 0.00 175.26 174.75 2jx9 s VAL 124 N 0.58 1.00 -0.17 3.70 1.01 0.08 -1.36 120.40 125.23 2jx9 s VAL 124 Ca -0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2jx9 s VAL 124 Cb -0.17 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2jx9 s VAL 124 CO 0.03 0.35 0.01 -1.10 0.00 0.00 0.00 175.10 174.39 2jx9 s GLN 125 N 1.39 3.78 0.28 2.72 -0.21 0.10 -1.62 119.66 126.10 2jx9 s GLN 125 Ca -0.01 -0.45 -0.14 0.00 0.02 0.00 0.00 55.36 54.78 2jx9 s GLN 125 Cb -0.13 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.83 2jx9 s GLN 125 CO -0.04 0.22 0.56 1.52 -2.12 0.00 0.00 175.29 175.43 2jx9 s TYR 126 N 0.46 0.30 0.20 0.91 -0.85 -0.16 -1.02 117.35 117.19 2jx9 s TYR 126 Ca -0.01 -0.70 0.06 0.00 -0.52 0.00 0.00 57.07 55.90 2jx9 s TYR 126 Cb -0.14 0.34 -0.05 0.00 0.38 0.00 0.00 41.96 42.50 2jx9 s TYR 126 CO 0.02 -1.13 -0.09 -0.51 -1.52 0.00 0.00 175.55 172.32 2jx9 s ASP 127 N -3.03 2.19 -0.16 -0.18 1.01 -0.98 -0.17 116.67 115.35 2jx9 s ASP 127 Ca 0.20 -1.08 -0.02 0.00 0.71 0.00 0.00 52.55 52.36 2jx9 s ASP 127 Cb -0.02 -0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.82 2jx9 s ASP 127 CO 0.10 -0.31 -0.07 0.00 0.21 0.00 0.00 175.17 175.10 2jx9 s VAL 129 N 0.60 0.97 0.42 0.00 -7.23 -1.01 -4.83 120.40 109.32 2jx9 s VAL 129 Ca -0.05 -1.52 -0.25 0.00 -1.81 0.00 0.00 61.98 58.36 2jx9 s VAL 129 Cb -0.15 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.46 2jx9 s VAL 129 CO 0.03 -0.46 1.19 -2.65 -0.31 0.00 0.00 175.10 172.90 2jx9 n PRO 130 N 0.80 1.73 -0.60 4.82 -0.02 -1.26 0.80 135.00 141.27 2jx9 n PRO 130 Ca -0.18 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 61.87 2jx9 n PRO 130 Cb 0.57 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.31 0.00 0.00 6.00 9.36 -0.77 -3.78 117.16 127.66 2jx9 n TYR 131 Ca 0.08 -1.02 0.00 0.00 3.32 0.00 0.00 57.90 60.28 2jx9 n TYR 131 Cb 0.39 -0.89 0.00 0.00 -0.63 0.00 0.00 39.34 38.22 2jx9 n TYR 131 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2jx9 n LYS 132 N 2.05 0.00 -3.00 2.98 5.02 -1.26 -5.09 118.16 118.85 2jx9 n LYS 132 Ca 0.16 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.06 2jx9 n LYS 132 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.53 2jx9 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jx9 s VAL 133 N -0.99 4.78 0.00 -0.18 1.01 -1.25 -5.25 120.40 118.52 2jx9 s VAL 133 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 2jx9 s VAL 133 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2jx9 s VAL 133 CO 0.00 0.35 0.00 -0.62 0.00 0.00 0.00 175.10 174.83