#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 -1.13 -9.72 0.99 3.38 -2.12 -3.41 115.31 103.29 2jx9 h LEU 30 Ca 0.00 0.28 -0.54 0.00 0.09 0.00 0.00 57.88 57.71 2jx9 h LEU 30 Cb 0.00 0.65 0.20 0.00 0.09 0.00 0.00 40.66 41.60 2jx9 h LEU 30 CO 0.00 -0.30 -0.50 -2.65 0.09 0.00 0.00 178.44 175.08 2jx9 n PRO 31 N -5.52 -0.01 0.06 1.13 -0.02 -1.26 -4.97 135.00 124.41 2jx9 n PRO 31 Ca 0.11 0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 2jx9 n PRO 31 Cb 0.42 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2jx9 h PHE 32 N -1.01 -0.23 -2.41 6.00 -1.00 -1.97 -3.48 116.94 112.83 2jx9 h PHE 32 Ca -0.44 -0.01 -0.27 0.00 2.81 0.00 0.00 57.97 60.06 2jx9 h PHE 32 Cb 1.31 0.08 0.01 0.00 3.61 0.00 0.00 35.95 40.96 2jx9 h PHE 32 CO 0.37 -0.14 -0.37 0.41 -1.61 0.00 0.00 178.31 176.96 2jx9 n GLY 33 N 1.11 -0.16 2.69 -1.45 0.00 -1.26 -4.89 105.19 101.23 2jx9 n GLY 33 Ca -0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.27 -1.33 -1.46 0.99 -0.00 -1.26 -5.14 117.00 106.53 2jx9 n LEU 34 Ca -0.13 -3.37 0.00 0.00 -0.00 0.00 0.00 56.01 52.51 2jx9 n LEU 34 Cb 0.61 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 2jx9 n LEU 34 CO 0.24 1.77 -0.37 0.23 -0.00 0.00 0.00 177.39 179.26 2jx9 n MET 35 N -0.90 -3.16 -3.29 1.96 2.81 -1.26 -4.87 117.12 108.41 2jx9 n MET 35 Ca -0.07 2.45 -0.35 0.00 -1.81 0.00 0.00 57.70 57.91 2jx9 n MET 35 Cb 0.86 -3.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.13 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 -4.99 4.05 -0.06 0.03 0.52 -0.83 -4.99 118.95 112.67 2jx9 s ARG 36 Ca 0.00 0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.75 2jx9 s ARG 36 Cb 0.00 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.57 2jx9 s ARG 36 CO 0.00 0.46 0.16 0.50 0.02 0.00 0.00 175.30 176.44 2jx9 s ARG 37 N -1.96 0.17 -0.00 3.54 3.52 -1.26 -2.07 118.95 120.89 2jx9 s ARG 37 Ca 0.39 0.27 0.02 0.00 -0.13 0.00 0.00 55.73 56.29 2jx9 s ARG 37 Cb -0.15 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 2jx9 s ARG 37 CO 0.20 -0.06 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.34 2jx9 s GLU 38 N 0.37 0.61 -0.01 5.12 8.01 -0.93 -5.01 118.70 126.86 2jx9 s GLU 38 Ca -0.02 -0.28 0.01 0.00 0.01 0.00 0.00 54.97 54.69 2jx9 s GLU 38 Cb -0.04 -0.59 0.01 0.00 -4.31 0.00 0.00 34.13 29.21 2jx9 s GLU 38 CO -0.02 0.16 -0.02 -1.17 0.01 0.00 0.00 175.26 174.23 2jx9 s LEU 39 N -0.20 1.62 -0.01 1.80 0.20 -1.26 -0.86 118.68 119.97 2jx9 s LEU 39 Ca 0.03 -0.04 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2jx9 s LEU 39 Cb -0.03 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.54 2jx9 s LEU 39 CO -0.00 -0.03 -0.08 0.00 -0.29 0.00 0.00 176.35 175.95 2jx9 s ALA 40 N 0.43 0.68 0.28 5.97 0.00 -0.47 -4.98 121.76 123.66 2jx9 s ALA 40 Ca -0.04 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 2jx9 s ALA 40 Cb -0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 2jx9 s ALA 40 CO -0.01 0.17 1.41 0.00 0.00 0.00 0.00 175.76 177.33 2jx9 n GLU 42 N 1.80 0.92 0.00 0.00 2.13 -1.05 -1.63 120.64 122.82 2jx9 n GLU 42 Ca 0.05 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2jx9 n GLU 42 Cb 0.40 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.28 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 2.06 1.63 3.69 8.31 0.00 -0.96 -4.94 105.19 114.99 2jx9 n GLY 43 Ca 0.17 0.00 -0.32 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 -2.33 3.06 0.54 1.61 1.51 -0.65 -4.76 117.35 116.33 2jx9 s TYR 44 Ca 0.00 0.04 -0.21 0.00 -1.01 0.00 0.00 57.07 55.89 2jx9 s TYR 44 Cb 0.00 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.18 2jx9 s TYR 44 CO 0.00 0.47 1.25 -1.25 -1.11 0.00 0.00 175.55 174.91 2jx9 s PRO 45 N -1.90 3.26 0.08 -1.71 0.04 -1.26 -2.22 135.00 131.29 2jx9 s PRO 45 Ca 0.23 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.31 2jx9 s PRO 45 Cb -0.12 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2jx9 s PRO 45 CO 0.14 -1.01 -0.21 -1.50 0.04 0.00 0.00 177.00 174.46 2jx9 s ILE 46 N -1.48 2.58 -0.09 0.56 2.07 0.10 -4.86 121.20 120.08 2jx9 s ILE 46 Ca 0.71 -1.43 0.03 0.00 -1.41 0.00 0.00 60.65 58.55 2jx9 s ILE 46 Cb -0.33 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.15 2jx9 s ILE 46 CO 0.38 0.22 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.74 2jx9 s GLU 47 N -1.73 2.56 -0.05 3.50 2.12 -1.26 -2.28 118.70 121.56 2jx9 s GLU 47 Ca 0.15 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 54.83 2jx9 s GLU 47 Cb -0.10 -1.99 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2jx9 s GLU 47 CO 0.06 0.11 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.16 2jx9 s LEU 48 N 0.51 2.29 -0.14 2.70 1.43 -0.56 -4.99 118.68 119.91 2jx9 s LEU 48 Ca -0.16 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 2jx9 s LEU 48 Cb -0.17 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.68 2jx9 s LEU 48 CO 0.06 0.28 0.33 -0.13 0.23 0.00 0.00 176.35 177.13 2jx9 s ARG 49 N -0.38 0.29 0.14 1.70 0.52 -1.26 -1.70 118.95 118.25 2jx9 s ARG 49 Ca 0.03 0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 55.91 2jx9 s ARG 49 Cb -0.12 -0.03 -0.06 0.00 0.52 0.00 0.00 34.95 35.27 2jx9 s ARG 49 CO 0.02 -0.18 0.38 0.00 0.02 0.00 0.00 175.30 175.53 2jx9 s PRO 51 N -2.59 2.82 2.95 0.00 0.04 -1.26 -4.74 135.00 132.22 2jx9 s PRO 51 Ca 0.40 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2jx9 s PRO 51 Cb -0.12 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2jx9 s PRO 51 CO 0.24 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2jx9 n GLY 52 N -1.16 2.49 1.88 0.56 0.00 -1.26 -1.38 105.19 106.32 2jx9 n GLY 52 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.99 4.69 -4.86 1.61 3.41 -1.26 -4.98 113.62 113.22 2jx9 n SER 53 Ca 0.00 -3.24 -0.30 0.00 -0.26 0.00 0.00 58.87 55.07 2jx9 n SER 53 Cb 0.00 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 63.29 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 -1.18 5.09 0.06 4.04 1.01 -0.48 -1.92 116.67 123.29 2jx9 s ASP 54 Ca 0.54 1.16 0.07 0.00 0.71 0.00 0.00 52.55 55.03 2jx9 s ASP 54 Cb 0.43 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 42.42 2jx9 s ASP 54 CO 0.13 -1.57 -0.20 0.68 0.21 0.00 0.00 175.17 174.41 2jx9 s VAL 55 N -3.31 1.60 0.20 -1.27 -7.23 0.43 -4.48 120.40 106.35 2jx9 s VAL 55 Ca 0.59 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 2jx9 s VAL 55 Cb -0.12 -1.42 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 2jx9 s VAL 55 CO 0.52 0.10 1.39 -0.63 -0.31 0.00 0.00 175.10 176.17 2jx9 s ILE 56 N -0.91 2.99 -0.32 -0.62 1.01 0.27 -2.17 121.20 121.44 2jx9 s ILE 56 Ca 0.06 0.79 -0.00 0.00 0.00 0.00 0.00 60.65 61.50 2jx9 s ILE 56 Cb -0.09 -3.50 0.10 0.00 0.01 0.00 0.00 42.46 38.98 2jx9 s ILE 56 CO 0.02 0.11 0.11 0.00 0.00 0.00 0.00 174.94 175.18 2jx9 s MET 57 N 0.10 0.83 0.04 2.79 0.23 -0.37 -1.40 119.30 121.52 2jx9 s MET 57 Ca 0.60 -1.23 -0.30 0.00 -1.03 0.00 0.00 55.69 53.73 2jx9 s MET 57 Cb -0.39 -2.12 -0.07 0.00 -1.53 0.00 0.00 34.83 30.71 2jx9 s MET 57 CO 0.38 -1.00 1.59 0.08 -2.03 0.00 0.00 175.02 174.04 2jx9 s VAL 58 N 1.44 3.27 -0.15 5.16 1.01 -1.26 -2.43 120.40 127.43 2jx9 s VAL 58 Ca 0.11 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 2jx9 s VAL 58 Cb -0.18 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2jx9 s VAL 58 CO -0.21 -0.01 -0.18 -0.62 0.00 0.00 0.00 175.10 174.07 2jx9 n GLU 59 N 5.75 0.34 -3.81 2.72 1.02 -0.92 -4.95 120.64 120.79 2jx9 n GLU 59 Ca 0.15 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.30 2jx9 n GLU 59 Cb 0.42 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 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 -6.15 -0.15 -0.00 1.62 0.01 -0.97 -5.04 114.94 104.27 2jx9 s ASN 60 Ca -0.21 0.16 -0.28 0.00 -0.71 0.00 0.00 52.86 51.82 2jx9 s ASN 60 Cb 0.08 0.36 0.09 0.00 0.41 0.00 0.00 41.25 42.18 2jx9 s ASN 60 CO 0.29 -0.27 0.78 0.00 -1.51 0.00 0.00 177.10 176.39 2jx9 s ALA 61 N -0.74 -1.77 -0.10 0.60 0.00 -1.26 0.54 121.76 119.02 2jx9 s ALA 61 Ca -0.08 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2jx9 s ALA 61 Cb -0.05 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.33 2jx9 s ALA 61 CO 0.02 -0.56 0.26 1.21 0.00 0.00 0.00 175.76 176.68 2jx9 s ASN 62 N -1.98 -0.27 -0.22 0.00 2.47 -0.35 -4.00 114.94 110.59 2jx9 s ASN 62 Ca -0.01 0.52 -0.02 0.00 0.42 0.00 0.00 52.86 53.78 2jx9 s ASN 62 Cb -0.01 0.51 0.01 0.00 -1.45 0.00 0.00 41.25 40.32 2jx9 s ASN 62 CO -0.04 -0.10 -0.09 -0.47 -3.72 0.00 0.00 177.10 172.69 2jx9 s TYR 63 N 0.30 2.97 0.00 0.43 5.04 -1.26 -1.83 117.35 123.00 2jx9 s TYR 63 Ca -0.01 -1.40 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 2jx9 s TYR 63 Cb -0.03 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.24 2jx9 s TYR 63 CO -0.01 -0.70 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 2jx9 n GLY 64 N 4.69 -0.48 3.33 8.97 0.00 0.14 -3.29 105.19 118.55 2jx9 n GLY 64 Ca -0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.05 0.43 0.00 1.61 3.52 -0.88 0.17 118.95 122.75 2jx9 s ARG 65 Ca 0.00 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 2jx9 s ARG 65 Cb 0.00 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2jx9 s ARG 65 CO 0.00 -0.32 0.70 0.25 -0.81 0.00 0.00 175.30 175.12 2jx9 n THR 66 N 5.41 0.48 -3.83 4.11 -2.24 -1.26 -0.17 114.28 116.78 2jx9 n THR 66 Ca -0.08 -0.65 -0.11 0.00 -2.27 0.00 0.00 64.05 60.94 2jx9 n THR 66 Cb 0.50 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.48 0.01 0.00 3.42 2.15 -1.26 -4.73 116.67 115.77 2jx9 s ASP 67 Ca 0.00 -0.31 0.07 0.00 0.43 0.00 0.00 52.55 52.74 2jx9 s ASP 67 Cb 0.00 0.29 0.10 0.00 -0.30 0.00 0.00 42.92 43.00 2jx9 s ASP 67 CO 0.00 -0.54 0.85 -0.90 -0.17 0.00 0.00 175.17 174.41 2jx9 n ASP 68 N 0.78 1.88 -1.01 -0.34 5.68 -1.26 -4.47 116.55 117.80 2jx9 n ASP 68 Ca -0.19 -1.48 0.10 0.00 -0.50 0.00 0.00 54.79 52.71 2jx9 n ASP 68 Cb 0.58 -0.04 0.21 0.00 -1.14 0.00 0.00 41.12 40.73 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 0.37 2.43 -4.42 0.11 5.02 -1.26 -4.85 118.16 115.56 2jx9 n LYS 69 Ca 0.05 -2.21 -0.34 0.00 -2.02 0.00 0.00 58.31 53.79 2jx9 n LYS 69 Cb 0.23 -1.44 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.21 4.05 -0.71 -0.18 -1.09 -1.26 -4.65 121.20 116.15 2jx9 s ILE 70 Ca 0.35 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.40 2jx9 s ILE 70 Cb 0.20 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 38.35 2jx9 s ILE 70 CO 0.27 0.55 0.65 0.00 -1.23 0.00 0.00 174.94 175.19 2jx9 n ASP 72 N -1.76 1.63 -1.39 0.00 5.75 -1.26 -4.91 116.55 114.60 2jx9 n ASP 72 Ca -0.10 0.80 0.00 0.00 -0.01 0.00 0.00 54.79 55.48 2jx9 n ASP 72 Cb 0.57 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 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 6.98 0.00 -1.78 2.12 0.00 -1.26 -5.11 120.51 121.46 2jx9 n ALA 73 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 2jx9 n ALA 73 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.86 6.38 0.41 0.00 -4.77 -1.26 -4.82 116.67 111.74 2jx9 s ASP 74 Ca 0.00 3.01 0.10 0.00 -3.30 0.00 0.00 52.55 52.35 2jx9 s ASP 74 Cb 0.00 -2.66 0.90 0.00 -1.09 0.00 0.00 42.92 40.07 2jx9 s ASP 74 CO 0.00 -0.85 2.00 1.55 0.70 0.00 0.00 175.17 178.57 2jx9 h PRO 75 N 3.25 0.53 -0.39 2.11 0.13 -1.99 -0.96 132.00 134.69 2jx9 h PRO 75 Ca -0.50 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.53 2jx9 h PRO 75 Cb 1.24 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2jx9 h PRO 75 CO 0.66 0.35 -0.02 0.74 -0.23 0.00 0.00 178.00 179.50 2jx9 h PHE 76 N 0.55 0.66 0.00 1.56 0.04 -1.97 0.22 116.94 118.00 2jx9 h PHE 76 Ca 0.25 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2jx9 h PHE 76 Cb 0.27 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2jx9 h PHE 76 CO -0.00 0.65 -0.47 1.04 -0.60 0.00 0.00 178.31 178.93 2jx9 n GLN 77 N -4.24 0.20 -0.02 1.51 6.02 -0.67 -3.65 117.38 116.52 2jx9 n GLN 77 Ca 0.02 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 2jx9 n GLN 77 Cb 0.28 -1.65 0.09 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.95 1.67 -0.11 -1.09 2.81 -0.45 -1.26 117.12 116.74 2jx9 n MET 78 Ca 0.04 -1.67 -0.11 0.00 -1.81 0.00 0.00 57.70 54.15 2jx9 n MET 78 Cb 0.41 -1.36 -0.03 0.00 -0.71 0.00 0.00 33.22 31.53 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 3.60 0.64 -6.45 0.03 5.08 -0.65 -3.39 114.58 113.45 2jx9 h GLU 79 Ca 0.00 -0.24 -0.57 0.00 -1.00 0.00 0.00 59.36 57.55 2jx9 h GLU 79 Cb 0.78 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 2jx9 h GLU 79 CO 0.00 0.81 0.88 1.21 -1.00 0.00 0.00 179.01 180.91 2jx9 s ASN 80 N -6.24 6.82 -0.49 1.42 2.47 -1.26 -4.89 114.94 112.78 2jx9 s ASN 80 Ca -0.13 0.86 0.03 0.00 0.42 0.00 0.00 52.86 54.04 2jx9 s ASN 80 Cb 0.09 -2.55 0.54 0.00 -1.45 0.00 0.00 41.25 37.88 2jx9 s ASN 80 CO 0.79 -1.01 1.80 1.33 -3.72 0.00 0.00 177.10 176.29 2jx9 n VAL 81 N 6.21 3.18 -3.40 -5.21 0.24 -1.26 -4.70 118.33 113.38 2jx9 n VAL 81 Ca 0.12 -2.70 -0.26 0.00 -2.04 0.00 0.00 64.34 59.45 2jx9 n VAL 81 Cb 0.48 -0.77 -0.10 0.00 -1.47 0.00 0.00 33.84 31.97 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 -3.52 0.75 -0.14 7.34 -1.52 -0.99 -4.24 119.66 117.34 2jx9 s GLN 82 Ca 0.57 -1.70 -0.05 0.00 -1.95 0.00 0.00 55.36 52.23 2jx9 s GLN 82 Cb 0.47 -1.28 0.07 0.00 -0.22 0.00 0.00 33.01 32.05 2jx9 s GLN 82 CO 0.04 -1.31 0.27 0.00 -0.25 0.00 0.00 175.29 174.04 2jx9 s TYR 84 N 2.42 1.07 -0.37 0.00 1.51 -1.26 -2.07 117.35 118.65 2jx9 s TYR 84 Ca 0.02 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2jx9 s TYR 84 Cb -0.12 -0.60 0.15 0.00 -0.11 0.00 0.00 41.96 41.28 2jx9 s TYR 84 CO -0.09 0.02 0.28 -1.17 -1.11 0.00 0.00 175.55 173.48 2jx9 s LEU 85 N -2.06 0.79 0.21 -1.29 2.96 -1.21 -4.88 118.68 113.21 2jx9 s LEU 85 Ca 0.00 -2.25 -0.14 0.00 -0.22 0.00 0.00 54.13 51.53 2jx9 s LEU 85 Cb -0.07 -0.15 0.24 0.00 0.50 0.00 0.00 46.19 46.71 2jx9 s LEU 85 CO 0.01 -0.26 1.62 -0.65 -1.32 0.00 0.00 176.35 175.75 2jx9 h PRO 86 N 6.67 -0.01 -0.35 0.98 0.11 -1.91 -0.57 132.00 136.92 2jx9 h PRO 86 Ca 0.10 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.32 2jx9 h PRO 86 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2jx9 h PRO 86 CO 0.26 -0.01 0.33 -0.44 -0.21 0.00 0.00 178.00 177.93 2jx9 h ASP 87 N -0.01 0.00 -0.83 -2.05 3.32 -1.95 -1.71 116.42 113.18 2jx9 h ASP 87 Ca 0.31 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.55 2jx9 h ASP 87 Cb 0.48 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 2jx9 h ASP 87 CO -0.67 0.00 0.56 0.00 -1.72 0.00 0.00 179.24 177.41 2jx9 h ALA 88 N 1.67 2.33 -0.43 3.45 0.00 -1.41 -0.57 119.26 124.30 2jx9 h ALA 88 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jx9 h ALA 88 Cb 0.82 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2jx9 h ALA 88 CO -0.00 -0.58 0.10 0.35 0.00 0.00 0.00 179.25 179.11 2jx9 h PHE 89 N 0.29 0.74 -0.70 0.00 3.57 -1.44 -2.72 116.94 116.68 2jx9 h PHE 89 Ca 0.42 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2jx9 h PHE 89 Cb 1.19 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2jx9 h PHE 89 CO -0.00 0.69 0.26 1.57 -2.23 0.00 0.00 178.31 178.60 2jx9 h LYS 90 N 0.57 1.05 0.18 1.11 2.10 -1.27 -0.64 116.57 119.67 2jx9 h LYS 90 Ca 0.14 -0.19 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2jx9 h LYS 90 Cb 0.33 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2jx9 h LYS 90 CO 0.00 0.87 -0.09 0.82 -2.00 0.00 0.00 179.45 179.05 2jx9 h ILE 91 N 1.03 0.82 -0.14 0.07 2.04 -1.32 -1.89 117.51 118.11 2jx9 h ILE 91 Ca 0.23 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.99 2jx9 h ILE 91 Cb 0.23 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2jx9 h ILE 91 CO -0.02 0.00 -0.37 0.24 0.00 0.00 0.00 178.15 178.01 2jx9 h MET 92 N -0.25 0.30 -0.45 2.37 2.86 -1.35 -2.54 114.93 115.88 2jx9 h MET 92 Ca -0.02 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jx9 h MET 92 Cb 0.19 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2jx9 h MET 92 CO 0.04 0.63 0.30 0.77 1.06 0.00 0.00 176.91 179.71 2jx9 h SER 93 N 0.26 0.51 -0.50 1.22 0.02 -0.87 0.38 113.55 114.57 2jx9 h SER 93 Ca 0.03 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2jx9 h SER 93 Cb 0.77 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2jx9 h SER 93 CO 0.06 0.37 0.08 1.56 -1.14 0.00 0.00 176.83 177.76 2jx9 h GLN 94 N 0.61 0.89 -0.00 3.45 4.20 -1.20 0.68 115.11 123.74 2jx9 h GLN 94 Ca 0.17 -0.22 -0.20 0.00 0.06 0.00 0.00 58.65 58.46 2jx9 h GLN 94 Cb -0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2jx9 h GLN 94 CO -0.04 0.84 -0.87 0.00 -0.67 0.00 0.00 178.83 178.09 2jx9 h ARG 95 N 0.84 0.22 0.00 1.46 3.08 -0.97 -3.37 114.38 115.64 2jx9 h ARG 95 Ca 0.17 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2jx9 h ARG 95 Cb 0.39 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2jx9 h ARG 95 CO 0.01 0.96 -0.72 0.00 -1.07 0.00 0.00 179.97 179.16 2jx9 s ASN 97 N -2.10 6.36 -0.48 0.00 -0.87 0.24 -1.64 114.94 116.45 2jx9 s ASN 97 Ca 0.00 2.91 0.00 0.00 -1.57 0.00 0.00 52.86 54.20 2jx9 s ASN 97 Cb 0.05 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2jx9 s ASN 97 CO 0.28 -0.96 0.00 0.59 -2.57 0.00 0.00 177.10 174.43 2jx9 n ASN 98 N 3.40 -4.91 -4.58 -1.22 4.13 -0.49 -4.96 115.26 106.62 2jx9 n ASN 98 Ca 0.14 0.11 -0.32 0.00 1.68 0.00 0.00 54.58 56.19 2jx9 n ASN 98 Cb 0.36 -2.81 -0.11 0.00 -1.54 0.00 0.00 39.78 35.68 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 -1.93 2.52 0.29 3.52 0.52 -0.65 -4.82 118.95 118.39 2jx9 s ARG 99 Ca 0.00 -0.74 0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2jx9 s ARG 99 Cb 0.00 -2.48 0.42 0.00 0.52 0.00 0.00 34.95 33.41 2jx9 s ARG 99 CO 0.00 0.60 1.65 1.15 0.02 0.00 0.00 175.30 178.72 2jx9 h THR 100 N 3.77 1.40 -3.15 0.02 2.02 -1.85 0.77 112.91 115.88 2jx9 h THR 100 Ca -0.48 -1.91 -0.09 0.00 0.77 0.00 0.00 66.41 64.70 2jx9 h THR 100 Cb 1.17 2.01 -0.17 0.00 -1.74 0.00 0.00 68.15 69.42 2jx9 h THR 100 CO 0.53 0.55 -0.19 0.00 0.37 0.00 0.00 175.52 176.78 2jx9 s GLN 101 N -3.77 0.83 -0.20 6.66 -2.07 -1.26 -0.09 119.66 119.76 2jx9 s GLN 101 Ca -0.02 -0.40 -0.17 0.00 -1.82 0.00 0.00 55.36 52.95 2jx9 s GLN 101 Cb 0.13 0.37 0.06 0.00 -1.09 0.00 0.00 33.01 32.47 2jx9 s GLN 101 CO 0.76 -0.27 0.52 0.00 -1.32 0.00 0.00 175.29 174.99 2jx9 s VAL 103 N 0.61 1.98 0.02 0.00 1.01 -1.26 -1.49 120.40 121.27 2jx9 s VAL 103 Ca -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 2jx9 s VAL 103 Cb -0.05 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2jx9 s VAL 103 CO -0.04 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 174.92 2jx9 s VAL 104 N 0.50 0.12 -0.32 2.92 1.01 -0.97 -4.95 120.40 118.72 2jx9 s VAL 104 Ca -0.15 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 2jx9 s VAL 104 Cb -0.17 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2jx9 s VAL 104 CO 0.06 -0.56 0.98 -0.69 0.00 0.00 0.00 175.10 174.89 2jx9 s VAL 105 N -1.91 4.59 0.00 2.92 1.01 -1.26 0.02 120.40 125.78 2jx9 s VAL 105 Ca -0.12 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2jx9 s VAL 105 Cb -0.06 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2jx9 s VAL 105 CO -0.02 -0.42 1.16 0.00 0.00 0.00 0.00 175.10 175.81 2jx9 n ALA 106 N 6.68 2.95 0.00 5.51 0.00 -0.94 -4.61 120.51 130.09 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 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.71 -0.07 4.16 0.00 0.00 -1.26 -2.26 105.19 107.46 2jx9 n GLY 107 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.64 113.62 116.21 2jx9 n SER 108 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2jx9 n SER 108 Cb 0.00 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.76 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 -2.37 0.00 0.03 -3.46 8.00 -1.26 -2.13 116.55 115.35 2jx9 n ASP 109 Ca 0.00 -0.58 0.12 0.00 0.71 0.00 0.00 54.79 55.05 2jx9 n ASP 109 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.86 3.04 -3.73 2.24 0.00 -0.58 -4.80 120.51 115.83 2jx9 n ALA 110 Ca 0.08 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 2jx9 n ALA 110 Cb 0.03 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.06 -0.13 0.00 0.00 0.08 0.19 -4.90 117.98 110.15 2jx9 s PHE 111 Ca 0.10 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.61 2jx9 s PHE 111 Cb 0.16 -0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.44 2jx9 s PHE 111 CO 0.67 -0.19 0.00 -2.30 -0.10 0.00 0.00 175.22 173.30 2jx9 n PRO 112 N 4.55 2.98 -3.34 0.24 -0.02 -1.26 -4.64 135.00 133.51 2jx9 n PRO 112 Ca -0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.06 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 -2.46 1.42 0.00 2.55 -1.08 -1.26 -4.97 116.67 110.87 2jx9 s ASP 113 Ca 0.00 -2.27 0.28 0.00 -0.52 0.00 0.00 52.55 50.04 2jx9 s ASP 113 Cb 0.00 0.12 1.44 0.00 -1.46 0.00 0.00 42.92 43.02 2jx9 s ASP 113 CO 0.00 -0.22 1.97 -0.81 0.52 0.00 0.00 175.17 176.63 2jx9 n PRO 114 N 3.57 0.45 -2.72 4.34 -0.04 -1.26 -4.35 135.00 135.00 2jx9 n PRO 114 Ca 0.19 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2jx9 n PRO 114 Cb 0.45 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.28 2.12 0.00 0.00 -0.02 -1.26 -2.25 135.00 134.87 2jx9 n PRO 116 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2jx9 n PRO 116 Cb 0.67 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2jx9 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jx9 n GLY 117 N 0.67 0.78 3.31 -1.23 0.00 -1.26 -5.04 105.19 102.42 2jx9 n GLY 117 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.24 1.89 -0.27 2.61 2.01 -0.95 -4.51 115.64 114.17 2jx9 s THR 118 Ca 0.00 -1.44 -0.28 0.00 0.31 0.00 0.00 61.69 60.29 2jx9 s THR 118 Cb 0.00 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.86 2jx9 s THR 118 CO 0.00 0.15 1.00 -0.47 -0.69 0.00 0.00 174.62 174.61 2jx9 s TYR 119 N -0.94 3.26 0.00 4.92 5.04 -0.39 -4.96 117.35 124.28 2jx9 s TYR 119 Ca 0.09 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 2jx9 s TYR 119 Cb -0.10 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.83 2jx9 s TYR 119 CO 0.03 -0.58 0.00 1.63 -1.34 0.00 0.00 175.55 175.29 2jx9 n LYS 120 N 6.47 1.88 -3.77 4.97 5.02 -1.26 -4.73 118.16 126.74 2jx9 n LYS 120 Ca 0.10 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.38 2jx9 n LYS 120 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.48 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 1.01 -0.04 -0.07 2.13 -0.85 0.45 -2.51 117.35 117.46 2jx9 s TYR 121 Ca 0.00 -0.21 -0.00 0.00 -0.52 0.00 0.00 57.07 56.34 2jx9 s TYR 121 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.98 2jx9 s TYR 121 CO 0.00 -0.64 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.18 2jx9 s LEU 122 N -3.14 1.07 -0.12 -3.49 2.96 -0.77 -0.68 118.68 114.50 2jx9 s LEU 122 Ca 0.17 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2jx9 s LEU 122 Cb 0.00 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.11 2jx9 s LEU 122 CO 0.01 -0.11 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.02 2jx9 s GLU 123 N 1.47 2.86 -0.12 1.98 2.12 -0.76 -1.37 118.70 124.88 2jx9 s GLU 123 Ca -0.02 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2jx9 s GLU 123 Cb -0.13 -2.29 0.02 0.00 0.26 0.00 0.00 34.13 31.99 2jx9 s GLU 123 CO -0.04 0.02 -0.11 0.08 -0.54 0.00 0.00 175.26 174.67 2jx9 s VAL 124 N 0.74 1.26 -0.22 3.70 1.01 -0.04 -1.20 120.40 125.64 2jx9 s VAL 124 Ca -0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 2jx9 s VAL 124 Cb -0.16 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2jx9 s VAL 124 CO 0.01 0.40 0.08 -1.10 0.00 0.00 0.00 175.10 174.49 2jx9 s GLN 125 N 1.45 3.86 0.24 2.72 1.11 0.19 -2.20 119.66 127.03 2jx9 s GLN 125 Ca 0.02 -0.39 -0.15 0.00 0.01 0.00 0.00 55.36 54.84 2jx9 s GLN 125 Cb -0.13 -3.30 0.01 0.00 -1.01 0.00 0.00 33.01 28.58 2jx9 s GLN 125 CO -0.07 0.06 0.53 1.52 0.01 0.00 0.00 175.29 177.34 2jx9 s TYR 126 N 0.96 0.18 0.22 0.91 -0.85 -0.88 -2.17 117.35 115.72 2jx9 s TYR 126 Ca 0.04 -0.56 0.09 0.00 -0.52 0.00 0.00 57.07 56.13 2jx9 s TYR 126 Cb -0.14 0.32 -0.05 0.00 0.38 0.00 0.00 41.96 42.47 2jx9 s TYR 126 CO 0.03 -1.02 -0.17 -0.51 -1.52 0.00 0.00 175.55 172.36 2jx9 s ASP 127 N -2.97 2.92 -0.21 -0.18 1.01 -1.02 -1.97 116.67 114.25 2jx9 s ASP 127 Ca 0.18 -1.00 -0.05 0.00 0.71 0.00 0.00 52.55 52.39 2jx9 s ASP 127 Cb -0.02 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.70 2jx9 s ASP 127 CO 0.07 -0.08 -0.01 0.00 0.21 0.00 0.00 175.17 175.35 2jx9 s VAL 129 N 1.13 1.88 0.47 0.00 -7.23 -0.92 -4.81 120.40 110.92 2jx9 s VAL 129 Ca 0.02 -1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 58.12 2jx9 s VAL 129 Cb -0.14 -1.81 -0.08 0.00 0.56 0.00 0.00 36.38 34.90 2jx9 s VAL 129 CO 0.01 -0.21 1.19 -2.65 -0.31 0.00 0.00 175.10 173.13 2jx9 n PRO 130 N 0.51 1.63 0.00 4.82 -0.02 -1.26 0.16 135.00 140.84 2jx9 n PRO 130 Ca -0.15 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 2jx9 n PRO 130 Cb 0.56 -2.32 0.56 0.00 -0.02 0.00 0.00 33.50 32.29 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 -0.61 0.00 -3.53 6.00 9.36 -0.81 -4.66 117.16 122.91 2jx9 n TYR 131 Ca 0.09 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.10 2jx9 n TYR 131 Cb 0.41 -0.19 -0.01 0.00 -0.63 0.00 0.00 39.34 38.93 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 -2.37 3.23 -0.14 2.98 1.02 -1.26 -5.07 119.74 118.13 2jx9 s LYS 132 Ca 0.24 -0.81 -0.25 0.00 0.02 0.00 0.00 55.97 55.17 2jx9 s LYS 132 Cb 0.14 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2jx9 s LYS 132 CO 0.29 0.12 0.81 0.54 -0.92 0.00 0.00 175.35 176.20 2jx9 s VAL 133 N -2.19 4.91 0.00 3.17 0.11 -1.26 -5.16 120.40 119.98 2jx9 s VAL 133 Ca 0.42 1.62 0.00 0.00 -2.93 0.00 0.00 61.98 61.09 2jx9 s VAL 133 Cb -0.09 -4.13 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2jx9 s VAL 133 CO 0.32 0.08 0.00 -0.62 -3.33 0.00 0.00 175.10 171.55