#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 h LEU 30 N 0.00 -0.75 -9.29 0.99 4.07 -2.08 -3.41 115.31 104.84 2jx9 h LEU 30 Ca 0.00 0.24 -0.66 0.00 0.08 0.00 0.00 57.88 57.54 2jx9 h LEU 30 Cb 0.00 0.50 0.08 0.00 1.08 0.00 0.00 40.66 42.32 2jx9 h LEU 30 CO 0.00 -0.26 0.20 -2.65 -1.08 0.00 0.00 178.44 174.65 2jx9 n PRO 31 N -5.52 1.01 -0.00 1.13 -0.02 -1.26 -4.85 135.00 125.49 2jx9 n PRO 31 Ca 0.11 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 2jx9 n PRO 31 Cb 0.41 -1.82 0.71 0.00 -0.02 0.00 0.00 33.50 32.77 2jx9 n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jx9 n PHE 32 N 1.37 0.01 0.00 6.00 3.01 -1.26 -4.92 117.46 121.67 2jx9 n PHE 32 Ca 0.15 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2jx9 n PHE 32 Cb 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jx9 n GLY 33 N 1.07 0.52 2.70 1.37 0.00 -1.26 -2.54 105.19 107.05 2jx9 n GLY 33 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 2jx9 n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jx9 n LEU 34 N 0.00 -1.86 -1.18 0.99 7.94 -1.26 -5.14 117.00 116.49 2jx9 n LEU 34 Ca 0.00 -3.52 0.14 0.00 -1.11 0.00 0.00 56.01 51.51 2jx9 n LEU 34 Cb 0.00 0.20 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 2jx9 n LEU 34 CO 0.00 1.92 -0.32 0.23 -1.11 0.00 0.00 177.39 178.11 2jx9 n MET 35 N -0.41 -2.27 -3.61 1.96 2.81 -1.05 -4.80 117.12 109.76 2jx9 n MET 35 Ca -0.01 1.68 -0.33 0.00 -1.81 0.00 0.00 57.70 57.23 2jx9 n MET 35 Cb 0.82 -2.84 -0.05 0.00 -0.71 0.00 0.00 33.22 30.44 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 -3.09 3.69 -0.13 0.03 0.52 0.89 -4.93 118.95 115.93 2jx9 s ARG 36 Ca 0.00 0.04 -0.17 0.00 -0.52 0.00 0.00 55.73 55.08 2jx9 s ARG 36 Cb 0.00 -2.86 0.04 0.00 0.52 0.00 0.00 34.95 32.65 2jx9 s ARG 36 CO 0.00 0.47 0.46 0.50 0.02 0.00 0.00 175.30 176.75 2jx9 s ARG 37 N -2.45 0.62 0.05 3.54 3.52 -1.26 -0.55 118.95 122.42 2jx9 s ARG 37 Ca 0.39 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 2jx9 s ARG 37 Cb -0.13 0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2jx9 s ARG 37 CO 0.22 -0.11 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.28 2jx9 s GLU 38 N -0.20 0.64 -0.03 5.12 2.02 -0.79 -5.00 118.70 120.47 2jx9 s GLU 38 Ca -0.04 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.11 2jx9 s GLU 38 Cb -0.03 -0.50 0.02 0.00 0.10 0.00 0.00 34.13 33.71 2jx9 s GLU 38 CO 0.02 0.10 0.06 -1.17 0.02 0.00 0.00 175.26 174.30 2jx9 s LEU 39 N -1.63 1.34 0.02 1.80 0.20 -1.26 -1.20 118.68 117.94 2jx9 s LEU 39 Ca -0.07 0.12 0.03 0.00 0.69 0.00 0.00 54.13 54.90 2jx9 s LEU 39 Cb -0.10 0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.77 2jx9 s LEU 39 CO 0.01 -0.08 -0.09 0.00 -0.29 0.00 0.00 176.35 175.90 2jx9 s ALA 40 N 0.62 0.75 0.31 5.97 0.00 -0.80 -4.98 121.76 123.64 2jx9 s ALA 40 Ca -0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 2jx9 s ALA 40 Cb -0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 2jx9 s ALA 40 CO -0.02 0.13 1.31 0.00 0.00 0.00 0.00 175.76 177.18 2jx9 n GLU 42 N 1.12 0.71 0.00 0.00 2.13 -0.88 -1.38 120.64 122.34 2jx9 n GLU 42 Ca 0.01 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2jx9 n GLU 42 Cb 0.42 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 1.97 2.07 3.70 8.31 0.00 -1.01 -4.92 105.19 115.31 2jx9 n GLY 43 Ca 0.17 0.00 -0.30 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 -2.39 3.02 0.55 1.61 2.02 -0.48 -4.81 117.35 116.88 2jx9 s TYR 44 Ca 0.00 -0.00 -0.20 0.00 -0.37 0.00 0.00 57.07 56.50 2jx9 s TYR 44 Cb 0.00 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 2jx9 s TYR 44 CO 0.00 0.48 1.17 -1.25 -1.57 0.00 0.00 175.55 174.38 2jx9 s PRO 45 N -2.24 3.26 0.03 -1.71 0.04 -1.26 -1.98 135.00 131.14 2jx9 s PRO 45 Ca 0.26 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.10 2jx9 s PRO 45 Cb -0.12 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2jx9 s PRO 45 CO 0.18 -0.94 -0.25 -1.50 0.04 0.00 0.00 177.00 174.53 2jx9 s ILE 46 N -1.67 1.97 -0.07 0.56 2.07 0.44 -4.83 121.20 119.67 2jx9 s ILE 46 Ca 0.73 -1.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 2jx9 s ILE 46 Cb -0.27 -1.68 0.02 0.00 0.13 0.00 0.00 42.46 40.65 2jx9 s ILE 46 CO 0.30 0.36 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.89 2jx9 s GLU 47 N -1.09 1.56 -0.02 3.50 2.12 -1.26 -1.52 118.70 121.99 2jx9 s GLU 47 Ca 0.10 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.12 2jx9 s GLU 47 Cb -0.10 -1.36 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 2jx9 s GLU 47 CO 0.01 -0.03 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.07 2jx9 s LEU 48 N 0.86 2.87 -0.12 2.70 1.43 0.26 -4.97 118.68 121.72 2jx9 s LEU 48 Ca -0.11 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2jx9 s LEU 48 Cb -0.15 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.49 2jx9 s LEU 48 CO 0.01 0.32 0.26 -0.13 0.23 0.00 0.00 176.35 177.04 2jx9 s ARG 49 N -1.04 0.20 -0.03 1.70 0.52 -1.26 -1.11 118.95 117.94 2jx9 s ARG 49 Ca 0.14 0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 55.85 2jx9 s ARG 49 Cb -0.11 -0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.22 2jx9 s ARG 49 CO 0.03 -0.19 0.29 0.00 0.02 0.00 0.00 175.30 175.45 2jx9 s PRO 51 N -1.30 1.80 3.03 0.00 0.04 -1.26 -4.70 135.00 132.61 2jx9 s PRO 51 Ca 0.23 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2jx9 s PRO 51 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2jx9 s PRO 51 CO 0.11 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.69 2jx9 n GLY 52 N -1.50 2.22 1.80 0.56 0.00 -1.26 -1.69 105.19 105.32 2jx9 n GLY 52 Ca 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 4.78 -4.87 1.61 3.41 -1.26 -4.98 113.62 112.23 2jx9 n SER 53 Ca 0.00 -3.18 -0.30 0.00 -0.26 0.00 0.00 58.87 55.13 2jx9 n SER 53 Cb 0.00 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.30 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 5.28 0.07 4.04 1.01 -0.68 -1.74 116.67 123.46 2jx9 s ASP 54 Ca 0.53 1.14 0.06 0.00 0.71 0.00 0.00 52.55 54.99 2jx9 s ASP 54 Cb 0.42 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 42.41 2jx9 s ASP 54 CO 0.13 -1.45 -0.16 0.68 0.21 0.00 0.00 175.17 174.57 2jx9 s VAL 55 N -3.35 1.31 0.23 -1.27 -7.23 0.80 -4.41 120.40 106.49 2jx9 s VAL 55 Ca 0.59 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 2jx9 s VAL 55 Cb -0.11 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 2jx9 s VAL 55 CO 0.52 -0.12 1.28 -0.63 -0.31 0.00 0.00 175.10 175.84 2jx9 s ILE 56 N -1.15 3.18 -0.33 -0.62 1.01 1.00 -1.61 121.20 122.68 2jx9 s ILE 56 Ca 0.01 1.02 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 2jx9 s ILE 56 Cb -0.10 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.83 2jx9 s ILE 56 CO 0.03 0.17 0.11 0.00 0.00 0.00 0.00 174.94 175.25 2jx9 s MET 57 N -0.50 0.81 0.05 2.79 0.23 -0.21 -1.69 119.30 120.78 2jx9 s MET 57 Ca 0.54 -1.23 -0.30 0.00 -1.03 0.00 0.00 55.69 53.67 2jx9 s MET 57 Cb -0.36 -2.07 -0.09 0.00 -1.53 0.00 0.00 34.83 30.78 2jx9 s MET 57 CO 0.41 -1.01 1.84 0.08 -2.03 0.00 0.00 175.02 174.31 2jx9 s VAL 58 N 1.42 2.98 -0.26 5.16 1.01 -1.26 -2.18 120.40 127.27 2jx9 s VAL 58 Ca 0.11 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 2jx9 s VAL 58 Cb -0.18 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 2jx9 s VAL 58 CO -0.21 -0.01 -0.30 -0.62 0.00 0.00 0.00 175.10 173.96 2jx9 n GLU 59 N 6.72 0.59 -3.76 2.72 -0.58 -0.34 -4.98 120.64 121.02 2jx9 n GLU 59 Ca 0.18 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 57.00 2jx9 n GLU 59 Cb 0.40 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 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 -7.06 -0.29 -0.17 1.62 0.01 -1.04 -5.04 114.94 102.98 2jx9 s ASN 60 Ca -0.36 0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 51.94 2jx9 s ASN 60 Cb 0.12 0.54 0.11 0.00 0.41 0.00 0.00 41.25 42.44 2jx9 s ASN 60 CO 0.52 -0.26 0.92 0.00 -1.51 0.00 0.00 177.10 176.77 2jx9 s ALA 61 N -0.44 -1.90 0.05 0.60 0.00 -1.26 0.35 121.76 119.17 2jx9 s ALA 61 Ca -0.06 1.61 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 2jx9 s ALA 61 Cb -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2jx9 s ALA 61 CO 0.02 -0.31 0.30 1.21 0.00 0.00 0.00 175.76 176.98 2jx9 s ASN 62 N -0.78 -0.10 -0.17 0.00 2.47 -0.53 -3.15 114.94 112.68 2jx9 s ASN 62 Ca -0.03 -0.25 0.01 0.00 0.42 0.00 0.00 52.86 53.01 2jx9 s ASN 62 Cb -0.01 0.36 0.02 0.00 -1.45 0.00 0.00 41.25 40.17 2jx9 s ASN 62 CO 0.02 -0.64 -0.19 -0.47 -3.72 0.00 0.00 177.10 172.09 2jx9 s TYR 63 N -2.79 2.63 0.00 0.43 5.04 -1.26 -1.69 117.35 119.71 2jx9 s TYR 63 Ca -0.03 -1.52 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 2jx9 s TYR 63 Cb -0.00 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.47 2jx9 s TYR 63 CO -0.05 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.81 2jx9 n GLY 64 N 4.59 -0.54 3.23 8.97 0.00 -0.26 -3.40 105.19 117.76 2jx9 n GLY 64 Ca -0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.77 0.44 0.00 1.61 3.52 -1.02 -0.51 118.95 121.22 2jx9 s ARG 65 Ca 0.00 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2jx9 s ARG 65 Cb 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 2jx9 s ARG 65 CO 0.00 -0.43 0.75 0.25 -0.81 0.00 0.00 175.30 175.06 2jx9 n THR 66 N 5.41 0.55 -3.80 4.11 -2.24 -1.26 -0.92 114.28 116.13 2jx9 n THR 66 Ca -0.06 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 2jx9 n THR 66 Cb 0.50 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.55 -0.00 0.00 3.42 2.15 -1.26 -4.81 116.67 115.61 2jx9 s ASP 67 Ca 0.00 -0.45 0.07 0.00 0.43 0.00 0.00 52.55 52.59 2jx9 s ASP 67 Cb 0.00 0.35 0.12 0.00 -0.30 0.00 0.00 42.92 43.10 2jx9 s ASP 67 CO 0.00 -0.69 0.94 -0.90 -0.17 0.00 0.00 175.17 174.35 2jx9 n ASP 68 N 0.18 2.08 -0.97 -0.34 5.75 -1.26 -4.51 116.55 117.48 2jx9 n ASP 68 Ca -0.17 -1.65 0.11 0.00 -0.01 0.00 0.00 54.79 53.07 2jx9 n ASP 68 Cb 0.61 -0.07 0.16 0.00 -1.03 0.00 0.00 41.12 40.79 2jx9 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jx9 n LYS 69 N 0.25 2.20 -4.72 0.11 5.02 -1.26 -4.87 118.16 114.89 2jx9 n LYS 69 Ca 0.06 -2.02 -0.33 0.00 -2.02 0.00 0.00 58.31 53.99 2jx9 n LYS 69 Cb 0.27 -1.44 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.50 3.33 -0.84 -0.18 -1.09 -1.26 -4.71 121.20 114.95 2jx9 s ILE 70 Ca 0.31 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2jx9 s ILE 70 Cb 0.19 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.68 2jx9 s ILE 70 CO 0.27 0.55 0.76 0.00 -1.23 0.00 0.00 174.94 175.30 2jx9 n ASP 72 N -2.22 1.78 -1.14 0.00 5.75 -1.26 -4.90 116.55 114.56 2jx9 n ASP 72 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2jx9 n ASP 72 Cb 0.54 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.30 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jx9 n ALA 73 N 12.88 0.00 -1.78 2.12 0.00 -1.26 -5.08 120.51 127.39 2jx9 n ALA 73 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 2jx9 n ALA 73 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.29 6.32 0.28 0.00 -4.77 -1.26 -4.80 116.67 112.15 2jx9 s ASP 74 Ca 0.00 3.06 0.01 0.00 -3.30 0.00 0.00 52.55 52.33 2jx9 s ASP 74 Cb 0.00 -2.66 0.57 0.00 -1.09 0.00 0.00 42.92 39.73 2jx9 s ASP 74 CO 0.00 -0.90 1.82 1.55 0.70 0.00 0.00 175.17 178.34 2jx9 h PRO 75 N 3.26 0.92 -0.65 2.11 0.13 -1.98 -0.08 132.00 135.71 2jx9 h PRO 75 Ca -0.50 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 2jx9 h PRO 75 Cb 1.24 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2jx9 h PRO 75 CO 0.66 0.61 0.31 0.74 -0.23 0.00 0.00 178.00 180.09 2jx9 h PHE 76 N 0.94 0.91 -0.00 1.56 0.04 -1.97 0.15 116.94 118.57 2jx9 h PHE 76 Ca 0.50 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.24 2jx9 h PHE 76 Cb 0.54 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2jx9 h PHE 76 CO -0.01 0.66 -0.15 1.04 -0.60 0.00 0.00 178.31 179.25 2jx9 n GLN 77 N -4.35 0.74 0.00 1.51 6.02 -0.40 -3.29 117.38 117.62 2jx9 n GLN 77 Ca 0.06 -0.32 0.08 0.00 -0.01 0.00 0.00 57.00 56.80 2jx9 n GLN 77 Cb 0.13 -1.49 0.05 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 -0.85 1.29 -0.03 -1.09 2.81 -0.16 -0.39 117.12 118.71 2jx9 n MET 78 Ca 0.14 -1.26 -0.12 0.00 -1.81 0.00 0.00 57.70 54.65 2jx9 n MET 78 Cb 0.30 -1.28 -0.06 0.00 -0.71 0.00 0.00 33.22 31.47 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 2.69 0.17 -6.09 0.03 5.08 -0.77 -3.43 114.58 112.25 2jx9 h GLU 79 Ca 0.00 -0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.74 2jx9 h GLU 79 Cb 0.61 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 2jx9 h GLU 79 CO 0.00 0.33 0.80 1.21 -1.00 0.00 0.00 179.01 180.36 2jx9 s ASN 80 N -5.57 7.09 -0.33 1.42 2.47 -1.26 -4.91 114.94 113.85 2jx9 s ASN 80 Ca -0.14 1.37 0.07 0.00 0.42 0.00 0.00 52.86 54.58 2jx9 s ASN 80 Cb 0.06 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.84 2jx9 s ASN 80 CO 0.69 -0.68 1.53 1.33 -3.72 0.00 0.00 177.10 176.25 2jx9 n VAL 81 N 5.35 2.69 -3.46 -5.21 0.24 -1.26 -4.74 118.33 111.94 2jx9 n VAL 81 Ca 0.12 -2.79 -0.28 0.00 -2.04 0.00 0.00 64.34 59.35 2jx9 n VAL 81 Cb 0.46 -0.44 -0.11 0.00 -1.47 0.00 0.00 33.84 32.28 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 -3.32 0.87 -0.13 7.34 -1.52 -1.00 -4.16 119.66 117.74 2jx9 s GLN 82 Ca 0.48 -1.88 -0.05 0.00 -1.95 0.00 0.00 55.36 51.96 2jx9 s GLN 82 Cb 0.42 -1.51 0.06 0.00 -0.22 0.00 0.00 33.01 31.76 2jx9 s GLN 82 CO 0.01 -1.31 0.26 0.00 -0.25 0.00 0.00 175.29 174.00 2jx9 s TYR 84 N 2.30 1.24 -0.36 0.00 1.51 -1.26 -2.44 117.35 118.34 2jx9 s TYR 84 Ca 0.00 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2jx9 s TYR 84 Cb -0.12 -0.67 0.15 0.00 -0.11 0.00 0.00 41.96 41.22 2jx9 s TYR 84 CO -0.08 0.08 0.35 -1.17 -1.11 0.00 0.00 175.55 173.61 2jx9 s LEU 85 N -2.31 0.03 0.24 -1.29 2.96 -1.22 -4.84 118.68 112.25 2jx9 s LEU 85 Ca 0.05 -1.56 -0.06 0.00 -0.22 0.00 0.00 54.13 52.34 2jx9 s LEU 85 Cb -0.05 0.46 0.42 0.00 0.50 0.00 0.00 46.19 47.51 2jx9 s LEU 85 CO 0.02 -0.28 1.69 -0.65 -1.32 0.00 0.00 176.35 175.81 2jx9 h PRO 86 N 7.18 0.25 -0.00 0.98 0.11 -1.94 -0.67 132.00 137.91 2jx9 h PRO 86 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2jx9 h PRO 86 Cb 1.05 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jx9 h PRO 86 CO 0.22 0.16 0.11 -0.44 -0.21 0.00 0.00 178.00 177.84 2jx9 h ASP 87 N 0.26 0.00 -0.95 -2.05 3.32 -1.96 -2.09 116.42 112.94 2jx9 h ASP 87 Ca 0.39 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.58 2jx9 h ASP 87 Cb 0.65 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.12 2jx9 h ASP 87 CO -0.49 0.00 0.60 0.00 -1.72 0.00 0.00 179.24 177.63 2jx9 h ALA 88 N 1.79 1.69 -0.57 3.45 0.00 -1.41 -1.54 119.26 122.66 2jx9 h ALA 88 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jx9 h ALA 88 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jx9 h ALA 88 CO -0.00 0.05 0.21 0.35 0.00 0.00 0.00 179.25 179.86 2jx9 h PHE 89 N 0.83 0.89 -0.54 0.00 3.57 -1.32 -2.83 116.94 117.53 2jx9 h PHE 89 Ca 0.49 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 2jx9 h PHE 89 Cb 0.65 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2jx9 h PHE 89 CO -0.00 0.73 -0.07 1.57 -2.23 0.00 0.00 178.31 178.31 2jx9 h LYS 90 N 0.79 1.00 -0.12 1.11 2.10 -1.46 -1.77 116.57 118.21 2jx9 h LYS 90 Ca 0.19 -0.35 0.01 0.00 -2.00 0.00 0.00 60.65 58.49 2jx9 h LYS 90 Cb 0.23 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2jx9 h LYS 90 CO -0.01 1.03 0.06 0.82 -2.00 0.00 0.00 179.45 179.35 2jx9 h ILE 91 N 0.88 1.00 -0.30 0.07 2.04 -1.30 -1.27 117.51 118.63 2jx9 h ILE 91 Ca 0.15 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.81 2jx9 h ILE 91 Cb 0.63 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2jx9 h ILE 91 CO 0.04 0.02 -0.42 0.24 0.00 0.00 0.00 178.15 178.03 2jx9 h MET 92 N 0.13 0.74 -0.34 2.37 2.86 -1.50 -1.99 114.93 117.20 2jx9 h MET 92 Ca 0.05 -0.39 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2jx9 h MET 92 Cb 0.01 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2jx9 h MET 92 CO -0.03 1.02 0.22 0.77 1.06 0.00 0.00 176.91 179.94 2jx9 h SER 93 N 0.60 0.37 -0.54 1.22 0.02 -1.13 0.62 113.55 114.70 2jx9 h SER 93 Ca 0.04 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2jx9 h SER 93 Cb 0.97 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2jx9 h SER 93 CO 0.09 0.27 0.00 1.56 -1.14 0.00 0.00 176.83 177.61 2jx9 h GLN 94 N 0.44 0.98 -0.01 3.45 4.20 -1.20 0.54 115.11 123.51 2jx9 h GLN 94 Ca 0.13 -0.29 -0.20 0.00 0.06 0.00 0.00 58.65 58.34 2jx9 h GLN 94 Cb -0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2jx9 h GLN 94 CO -0.04 0.96 -0.86 0.00 -0.67 0.00 0.00 178.83 178.23 2jx9 h ARG 95 N 0.90 0.30 0.00 1.46 3.08 -0.89 -3.37 114.38 115.86 2jx9 h ARG 95 Ca 0.17 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jx9 h ARG 95 Cb 0.52 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2jx9 h ARG 95 CO 0.03 1.00 -1.03 0.00 -1.07 0.00 0.00 179.97 178.90 2jx9 n ASN 97 N -1.58 3.64 -0.44 0.00 4.13 0.19 -1.73 115.26 119.48 2jx9 n ASN 97 Ca -0.00 1.17 -0.06 0.00 1.68 0.00 0.00 54.58 57.37 2jx9 n ASN 97 Cb 0.20 -1.57 -0.02 0.00 -1.54 0.00 0.00 39.78 36.84 2jx9 n ASN 97 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jx9 n ASN 98 N 1.61 -4.99 -4.56 6.41 4.13 -0.68 -4.96 115.26 112.22 2jx9 n ASN 98 Ca 0.07 0.14 -0.32 0.00 1.68 0.00 0.00 54.58 56.15 2jx9 n ASN 98 Cb 0.37 -2.99 -0.11 0.00 -1.54 0.00 0.00 39.78 35.51 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 2.42 0.27 3.52 0.52 -0.71 -4.83 118.95 118.02 2jx9 s ARG 99 Ca 0.00 -0.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.50 2jx9 s ARG 99 Cb 0.00 -2.42 0.34 0.00 0.52 0.00 0.00 34.95 33.40 2jx9 s ARG 99 CO 0.00 0.59 1.61 1.15 0.02 0.00 0.00 175.30 178.66 2jx9 h THR 100 N 3.80 1.42 -3.24 0.02 2.02 -1.86 0.28 112.91 115.35 2jx9 h THR 100 Ca -0.48 -2.02 -0.11 0.00 0.77 0.00 0.00 66.41 64.57 2jx9 h THR 100 Cb 1.16 2.07 -0.18 0.00 -1.74 0.00 0.00 68.15 69.46 2jx9 h THR 100 CO 0.52 0.58 -0.29 0.00 0.37 0.00 0.00 175.52 176.70 2jx9 s GLN 101 N -3.69 0.72 -0.21 6.66 -2.07 -1.26 0.81 119.66 120.61 2jx9 s GLN 101 Ca -0.02 -0.39 -0.17 0.00 -1.82 0.00 0.00 55.36 52.95 2jx9 s GLN 101 Cb 0.13 0.31 0.06 0.00 -1.09 0.00 0.00 33.01 32.41 2jx9 s GLN 101 CO 0.77 -0.21 0.55 0.00 -1.32 0.00 0.00 175.29 175.07 2jx9 s VAL 103 N 0.63 1.52 0.03 0.00 1.01 -1.26 -0.58 120.40 121.75 2jx9 s VAL 103 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2jx9 s VAL 103 Cb -0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2jx9 s VAL 103 CO -0.04 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 2jx9 s VAL 104 N 0.79 0.30 -0.34 2.92 1.01 -0.57 -4.96 120.40 119.55 2jx9 s VAL 104 Ca -0.11 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 2jx9 s VAL 104 Cb -0.16 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.84 2jx9 s VAL 104 CO 0.02 -0.40 1.16 -0.69 0.00 0.00 0.00 175.10 175.19 2jx9 s VAL 105 N -1.30 4.34 0.00 2.92 1.01 -1.26 -0.42 120.40 125.69 2jx9 s VAL 105 Ca -0.12 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2jx9 s VAL 105 Cb -0.09 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2jx9 s VAL 105 CO -0.00 -0.55 0.74 0.00 0.00 0.00 0.00 175.10 175.28 2jx9 n ALA 106 N 7.27 2.38 -2.00 5.51 0.00 -0.84 -4.53 120.51 128.31 2jx9 n ALA 106 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jx9 n ALA 106 Cb 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.40 -0.26 2.96 0.00 0.00 -1.26 -2.42 105.19 105.60 2jx9 n GLY 107 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.50 113.62 116.35 2jx9 n SER 108 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2jx9 n SER 108 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.69 0.00 0.10 -3.46 8.00 -1.26 -2.22 116.55 116.02 2jx9 n ASP 109 Ca 0.00 -0.55 0.13 0.00 0.71 0.00 0.00 54.79 55.08 2jx9 n ASP 109 Cb 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.95 2.40 -3.69 2.24 0.00 -0.52 -4.76 120.51 115.22 2jx9 n ALA 110 Ca 0.11 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2jx9 n ALA 110 Cb 0.05 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.07 0.00 0.00 0.40 0.34 -4.90 117.98 110.64 2jx9 s PHE 111 Ca 0.10 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 2jx9 s PHE 111 Cb 0.12 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.51 2jx9 s PHE 111 CO 0.62 -0.12 0.00 -2.30 0.70 0.00 0.00 175.22 174.12 2jx9 n PRO 112 N 4.11 2.78 -3.38 0.24 -0.02 -1.26 -4.65 135.00 132.81 2jx9 n PRO 112 Ca -0.26 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.04 2jx9 n PRO 112 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.91 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 -2.43 1.52 0.05 2.55 -1.08 -1.26 -4.96 116.67 111.05 2jx9 s ASP 113 Ca 0.00 -1.34 0.27 0.00 -0.52 0.00 0.00 52.55 50.96 2jx9 s ASP 113 Cb 0.00 0.45 0.83 0.00 -1.46 0.00 0.00 42.92 42.75 2jx9 s ASP 113 CO 0.00 -0.31 1.67 -0.81 0.52 0.00 0.00 175.17 176.23 2jx9 n PRO 114 N 4.62 0.08 -2.71 4.34 -0.04 -1.26 -4.59 135.00 135.43 2jx9 n PRO 114 Ca 0.06 0.04 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 2jx9 n PRO 114 Cb 0.45 -1.57 0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.23 0.45 -0.12 0.00 -0.04 -1.26 -2.99 135.00 132.28 2jx9 n PRO 116 Ca 0.04 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2jx9 n PRO 116 Cb 0.68 -2.22 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 0.84 3.25 0.55 0.00 -1.26 -5.04 105.19 104.62 2jx9 n GLY 117 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.43 1.57 -0.39 2.61 2.01 -1.16 -4.50 115.64 113.35 2jx9 s THR 118 Ca 0.00 -1.38 -0.28 0.00 0.31 0.00 0.00 61.69 60.34 2jx9 s THR 118 Cb 0.00 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.11 2jx9 s THR 118 CO 0.00 -0.01 1.06 -0.47 -0.69 0.00 0.00 174.62 174.51 2jx9 s TYR 119 N -1.06 3.00 0.00 4.92 5.04 0.47 -5.00 117.35 124.73 2jx9 s TYR 119 Ca 0.05 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 2jx9 s TYR 119 Cb -0.09 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.24 2jx9 s TYR 119 CO 0.03 -0.98 0.00 1.63 -1.34 0.00 0.00 175.55 174.89 2jx9 n LYS 120 N 7.23 2.01 -3.82 4.97 5.02 -1.26 -4.83 118.16 127.47 2jx9 n LYS 120 Ca 0.11 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 2jx9 n LYS 120 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.50 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 1.05 -0.00 -0.06 2.13 -0.85 0.33 -2.08 117.35 117.87 2jx9 s TYR 121 Ca 0.00 -0.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.39 2jx9 s TYR 121 Cb 0.00 0.58 0.02 0.00 0.38 0.00 0.00 41.96 42.94 2jx9 s TYR 121 CO 0.00 -0.41 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.41 2jx9 s LEU 122 N -3.39 1.22 -0.10 -3.49 2.96 -0.70 -1.11 118.68 114.08 2jx9 s LEU 122 Ca 0.22 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2jx9 s LEU 122 Cb 0.01 -0.52 -0.00 0.00 0.50 0.00 0.00 46.19 46.18 2jx9 s LEU 122 CO -0.01 -0.07 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.02 2jx9 s GLU 123 N 1.14 3.08 -0.08 1.98 2.12 -0.68 -1.90 118.70 124.36 2jx9 s GLU 123 Ca -0.07 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 2jx9 s GLU 123 Cb -0.14 -2.34 0.03 0.00 0.26 0.00 0.00 34.13 31.94 2jx9 s GLU 123 CO -0.01 0.19 -0.03 0.08 -0.54 0.00 0.00 175.26 174.94 2jx9 s VAL 124 N 0.33 0.64 -0.14 3.70 1.01 -0.34 -1.46 120.40 124.14 2jx9 s VAL 124 Ca -0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2jx9 s VAL 124 Cb -0.18 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2jx9 s VAL 124 CO 0.08 0.30 -0.03 -1.10 0.00 0.00 0.00 175.10 174.35 2jx9 s GLN 125 N 1.76 3.50 0.30 2.72 -0.21 0.16 -1.88 119.66 126.01 2jx9 s GLN 125 Ca 0.03 -0.50 -0.14 0.00 0.02 0.00 0.00 55.36 54.77 2jx9 s GLN 125 Cb -0.13 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.03 2jx9 s GLN 125 CO -0.06 0.34 0.60 1.52 -2.12 0.00 0.00 175.29 175.58 2jx9 s TYR 126 N 0.09 0.28 0.17 0.91 1.13 0.28 -1.20 117.35 119.01 2jx9 s TYR 126 Ca -0.00 -0.71 0.08 0.00 -1.41 0.00 0.00 57.07 55.03 2jx9 s TYR 126 Cb -0.13 0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 2jx9 s TYR 126 CO 0.03 -1.20 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.18 2jx9 s ASP 127 N -3.04 2.63 -0.28 -0.18 1.11 -0.92 -0.08 116.67 115.91 2jx9 s ASP 127 Ca 0.19 -0.89 -0.06 0.00 0.18 0.00 0.00 52.55 51.97 2jx9 s ASP 127 Cb -0.03 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.82 2jx9 s ASP 127 CO 0.11 -0.06 0.06 0.00 1.18 0.00 0.00 175.17 176.46 2jx9 s VAL 129 N 1.50 2.32 0.49 0.00 -7.23 -0.63 -4.75 120.40 112.10 2jx9 s VAL 129 Ca 0.03 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 57.89 2jx9 s VAL 129 Cb -0.17 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 2jx9 s VAL 129 CO 0.02 -0.18 1.07 -2.65 -0.31 0.00 0.00 175.10 173.05 2jx9 n PRO 130 N 0.13 1.35 -2.52 4.82 -0.02 -1.26 0.28 135.00 137.78 2jx9 n PRO 130 Ca -0.11 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 2jx9 n PRO 130 Cb 0.57 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 2jx9 n PRO 130 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jx9 s TYR 131 N -1.34 3.38 -0.07 6.00 5.04 -0.71 -4.62 117.35 125.03 2jx9 s TYR 131 Ca 0.67 1.36 0.06 0.00 -2.44 0.00 0.00 57.07 56.72 2jx9 s TYR 131 Cb -0.49 -3.34 -0.01 0.00 0.35 0.00 0.00 41.96 38.47 2jx9 s TYR 131 CO 0.53 -0.96 -0.25 0.15 -1.34 0.00 0.00 175.55 173.69 2jx9 s LYS 132 N 1.66 2.68 -0.11 4.97 1.02 -1.26 -5.07 119.74 123.63 2jx9 s LYS 132 Ca 0.55 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 2jx9 s LYS 132 Cb -0.25 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 2jx9 s LYS 132 CO 0.25 0.33 0.13 0.54 -0.92 0.00 0.00 175.35 175.67 2jx9 s VAL 133 N -0.03 5.35 0.00 3.17 0.11 -1.26 -5.21 120.40 122.53 2jx9 s VAL 133 Ca -0.08 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2jx9 s VAL 133 Cb -0.15 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2jx9 s VAL 133 CO 0.05 0.59 0.00 -0.62 -3.33 0.00 0.00 175.10 171.79