#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 3.03 0.40 0.99 2.96 -1.26 -5.12 118.68 119.68 2jx9 s LEU 30 Ca 0.00 -3.45 -0.26 0.00 -0.22 0.00 0.00 54.13 50.21 2jx9 s LEU 30 Cb 0.00 -1.00 -0.09 0.00 0.50 0.00 0.00 46.19 45.60 2jx9 s LEU 30 CO 0.00 -0.13 1.20 -2.16 -1.32 0.00 0.00 176.35 173.95 2jx9 s PRO 31 N -0.66 4.06 0.00 0.98 0.04 -1.26 -4.91 135.00 133.24 2jx9 s PRO 31 Ca 0.29 1.93 0.25 0.00 0.04 0.00 0.00 61.00 63.51 2jx9 s PRO 31 Cb -0.00 -2.72 1.13 0.00 0.04 0.00 0.00 34.50 32.95 2jx9 s PRO 31 CO -0.18 -0.34 1.82 0.34 0.04 0.00 0.00 177.00 178.68 2jx9 n PHE 32 N 0.14 0.00 -2.49 0.56 7.35 -1.26 -4.89 117.46 116.87 2jx9 n PHE 32 Ca 0.04 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.70 2jx9 n PHE 32 Cb 0.46 -0.45 0.01 0.00 0.35 0.00 0.00 39.48 39.84 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 1.06 0.62 2.66 7.13 0.00 -1.26 -4.97 105.19 110.44 2jx9 n GLY 33 Ca 0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 2jx9 n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jx9 n LEU 34 N -0.93 -1.65 -1.38 0.99 4.77 -1.26 -5.15 117.00 112.39 2jx9 n LEU 34 Ca -0.01 -2.98 0.06 0.00 -0.03 0.00 0.00 56.01 53.05 2jx9 n LEU 34 Cb 0.51 0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 2jx9 n LEU 34 CO 0.08 1.68 -0.43 0.23 -1.33 0.00 0.00 177.39 177.61 2jx9 n MET 35 N -0.63 -3.00 -3.54 3.23 2.81 -1.26 -4.88 117.12 109.86 2jx9 n MET 35 Ca -0.10 2.37 -0.33 0.00 -1.81 0.00 0.00 57.70 57.83 2jx9 n MET 35 Cb 0.79 -3.24 -0.05 0.00 -0.71 0.00 0.00 33.22 30.01 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 -4.88 3.75 -0.12 0.03 0.52 -0.84 -4.90 118.95 112.50 2jx9 s ARG 36 Ca 0.00 0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.26 2jx9 s ARG 36 Cb 0.00 -2.83 0.04 0.00 0.52 0.00 0.00 34.95 32.67 2jx9 s ARG 36 CO 0.00 0.45 0.32 0.50 0.02 0.00 0.00 175.30 176.59 2jx9 s ARG 37 N -2.44 0.36 0.04 3.54 3.52 -1.26 -1.65 118.95 121.05 2jx9 s ARG 37 Ca 0.41 0.50 0.04 0.00 -0.13 0.00 0.00 55.73 56.55 2jx9 s ARG 37 Cb -0.13 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.37 2jx9 s ARG 37 CO 0.21 -0.07 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.29 2jx9 s GLU 38 N 0.43 0.88 0.00 5.12 8.01 -0.71 -5.00 118.70 127.43 2jx9 s GLU 38 Ca -0.02 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.24 2jx9 s GLU 38 Cb -0.04 -0.87 -0.00 0.00 -4.31 0.00 0.00 34.13 28.91 2jx9 s GLU 38 CO -0.02 0.21 -0.01 -1.17 0.01 0.00 0.00 175.26 174.28 2jx9 s LEU 39 N -1.10 2.04 -0.00 1.80 0.20 -1.26 -1.26 118.68 119.10 2jx9 s LEU 39 Ca 0.01 -0.10 -0.00 0.00 0.69 0.00 0.00 54.13 54.73 2jx9 s LEU 39 Cb -0.08 -0.01 0.00 0.00 -0.43 0.00 0.00 46.19 45.67 2jx9 s LEU 39 CO 0.01 -0.04 0.01 0.00 -0.29 0.00 0.00 176.35 176.03 2jx9 s ALA 40 N -0.26 -0.01 0.27 5.97 0.00 -0.85 -4.99 121.76 121.88 2jx9 s ALA 40 Ca -0.02 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 2jx9 s ALA 40 Cb -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 2jx9 s ALA 40 CO -0.00 -0.01 1.33 0.00 0.00 0.00 0.00 175.76 177.08 2jx9 n GLU 42 N 1.71 0.92 0.00 0.00 2.13 -1.00 -1.91 120.64 122.50 2jx9 n GLU 42 Ca 0.03 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2jx9 n GLU 42 Cb 0.42 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 1.94 3.44 3.71 8.31 0.00 -1.03 -4.93 105.19 116.63 2jx9 n GLY 43 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.75 3.10 0.65 1.61 2.02 -0.81 -4.77 117.35 116.41 2jx9 s TYR 44 Ca 0.00 0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.61 2jx9 s TYR 44 Cb 0.00 -1.64 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 2jx9 s TYR 44 CO 0.00 0.49 1.15 -1.25 -1.57 0.00 0.00 175.55 174.37 2jx9 s PRO 45 N -1.91 2.73 -0.00 -1.71 0.04 -1.26 -2.03 135.00 130.86 2jx9 s PRO 45 Ca 0.23 1.59 0.07 0.00 0.04 0.00 0.00 61.00 62.93 2jx9 s PRO 45 Cb -0.12 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2jx9 s PRO 45 CO 0.15 -1.34 -0.22 -1.50 0.04 0.00 0.00 177.00 174.13 2jx9 s ILE 46 N -2.05 2.40 -0.11 0.56 2.07 0.32 -4.81 121.20 119.58 2jx9 s ILE 46 Ca 0.71 -1.11 0.03 0.00 -1.41 0.00 0.00 60.65 58.88 2jx9 s ILE 46 Cb -0.25 -1.91 0.00 0.00 0.13 0.00 0.00 42.46 40.44 2jx9 s ILE 46 CO 0.39 0.49 -0.23 -0.70 -1.91 0.00 0.00 174.94 172.98 2jx9 s GLU 47 N -0.91 3.01 0.00 3.50 2.12 -1.26 -2.20 118.70 122.96 2jx9 s GLU 47 Ca 0.11 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.65 2jx9 s GLU 47 Cb -0.10 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 2jx9 s GLU 47 CO 0.01 0.11 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.13 2jx9 s LEU 48 N 0.52 2.49 -0.18 2.70 1.43 -0.28 -4.98 118.68 120.37 2jx9 s LEU 48 Ca -0.15 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2jx9 s LEU 48 Cb -0.17 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2jx9 s LEU 48 CO 0.05 0.29 0.46 -0.13 0.23 0.00 0.00 176.35 177.25 2jx9 s ARG 49 N -1.06 0.48 0.02 1.70 0.52 -1.26 -1.60 118.95 117.75 2jx9 s ARG 49 Ca 0.13 0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 56.12 2jx9 s ARG 49 Cb -0.10 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 2jx9 s ARG 49 CO 0.02 -0.13 0.15 0.00 0.02 0.00 0.00 175.30 175.36 2jx9 s PRO 51 N -2.10 2.52 4.05 0.00 0.04 -1.26 -4.68 135.00 133.57 2jx9 s PRO 51 Ca 0.28 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2jx9 s PRO 51 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jx9 s PRO 51 CO 0.20 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2jx9 n GLY 52 N -1.04 2.87 1.72 0.56 0.00 -1.26 -1.15 105.19 106.88 2jx9 n GLY 52 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 2.16 3.57 -4.87 1.61 3.41 -1.26 -4.99 113.62 113.25 2jx9 n SER 53 Ca 0.00 -3.54 -0.31 0.00 -0.26 0.00 0.00 58.87 54.77 2jx9 n SER 53 Cb 0.00 -0.73 0.03 0.00 -0.26 0.00 0.00 64.21 63.25 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 -1.71 5.72 0.07 4.04 1.01 -0.30 -1.95 116.67 123.55 2jx9 s ASP 54 Ca 0.51 1.29 0.07 0.00 0.71 0.00 0.00 52.55 55.13 2jx9 s ASP 54 Cb 0.44 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 42.14 2jx9 s ASP 54 CO 0.08 -1.18 -0.19 0.68 0.21 0.00 0.00 175.17 174.76 2jx9 s VAL 55 N -3.26 1.53 0.19 -1.27 -7.23 0.65 -4.38 120.40 106.63 2jx9 s VAL 55 Ca 0.57 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 2jx9 s VAL 55 Cb -0.11 -1.38 -0.08 0.00 0.56 0.00 0.00 36.38 35.36 2jx9 s VAL 55 CO 0.53 -0.00 1.25 -0.63 -0.31 0.00 0.00 175.10 175.94 2jx9 s ILE 56 N -1.03 3.39 -0.31 -0.62 1.01 0.28 -2.10 121.20 121.83 2jx9 s ILE 56 Ca 0.05 1.16 -0.00 0.00 0.00 0.00 0.00 60.65 61.85 2jx9 s ILE 56 Cb -0.09 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.73 2jx9 s ILE 56 CO 0.03 0.18 0.08 0.00 0.00 0.00 0.00 174.94 175.23 2jx9 s MET 57 N -0.20 0.84 0.02 2.79 0.23 -0.44 -1.23 119.30 121.30 2jx9 s MET 57 Ca 0.55 -1.15 -0.30 0.00 -1.03 0.00 0.00 55.69 53.76 2jx9 s MET 57 Cb -0.35 -2.17 -0.07 0.00 -1.53 0.00 0.00 34.83 30.72 2jx9 s MET 57 CO 0.38 -0.96 1.68 0.08 -2.03 0.00 0.00 175.02 174.17 2jx9 s VAL 58 N 1.53 3.25 -0.24 5.16 1.01 -1.26 -2.50 120.40 127.34 2jx9 s VAL 58 Ca 0.09 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 2jx9 s VAL 58 Cb -0.17 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 2jx9 s VAL 58 CO -0.22 -0.02 -0.29 -0.62 0.00 0.00 0.00 175.10 173.95 2jx9 n GLU 59 N 6.37 0.53 -3.76 2.72 -0.58 -0.95 -4.96 120.64 119.99 2jx9 n GLU 59 Ca 0.17 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.98 2jx9 n GLU 59 Cb 0.41 -1.38 -0.09 0.00 -0.57 0.00 0.00 31.44 29.81 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 -7.00 -0.21 -0.06 1.62 0.01 -1.01 -5.05 114.94 103.24 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 0.36 0.10 0.00 0.41 0.00 0.00 41.25 42.24 2jx9 s ASN 60 CO 0.45 -0.40 0.88 0.00 -1.51 0.00 0.00 177.10 176.51 2jx9 s ALA 61 N -1.13 -1.84 -0.03 0.60 0.00 -1.26 -0.35 121.76 117.75 2jx9 s ALA 61 Ca -0.12 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.91 2jx9 s ALA 61 Cb -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2jx9 s ALA 61 CO 0.04 -0.49 0.41 1.21 0.00 0.00 0.00 175.76 176.92 2jx9 s ASN 62 N -1.74 -0.32 -0.16 0.00 2.47 -0.35 -3.72 114.94 111.11 2jx9 s ASN 62 Ca -0.01 0.27 0.01 0.00 0.42 0.00 0.00 52.86 53.56 2jx9 s ASN 62 Cb -0.01 0.39 0.02 0.00 -1.45 0.00 0.00 41.25 40.20 2jx9 s ASN 62 CO -0.02 -0.48 -0.19 -0.47 -3.72 0.00 0.00 177.10 172.22 2jx9 s TYR 63 N -1.25 2.64 0.00 0.43 5.04 -1.25 -1.66 117.35 121.30 2jx9 s TYR 63 Ca -0.13 -1.50 0.00 0.00 -2.44 0.00 0.00 57.07 53.00 2jx9 s TYR 63 Cb -0.04 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.44 2jx9 s TYR 63 CO 0.06 -0.74 0.00 0.41 -1.34 0.00 0.00 175.55 173.94 2jx9 n GLY 64 N 4.52 -0.45 3.54 8.97 0.00 0.11 -2.66 105.19 119.22 2jx9 n GLY 64 Ca -0.20 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.10 0.52 0.00 1.61 3.52 -0.82 0.12 118.95 122.80 2jx9 s ARG 65 Ca 0.00 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 2jx9 s ARG 65 Cb 0.00 0.73 0.00 0.00 -1.56 0.00 0.00 34.95 34.12 2jx9 s ARG 65 CO 0.00 -0.23 0.92 0.25 -0.81 0.00 0.00 175.30 175.44 2jx9 n THR 66 N 5.44 0.85 -3.67 4.11 -2.24 -1.26 0.44 114.28 117.95 2jx9 n THR 66 Ca -0.11 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2jx9 n THR 66 Cb 0.49 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.42 0.00 0.00 3.42 2.03 -1.26 -4.76 116.55 115.56 2jx9 n ASP 67 Ca 0.00 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.37 2jx9 n ASP 67 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2jx9 n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jx9 n ASP 68 N -2.31 0.00 -1.10 1.67 5.68 -1.26 -4.47 116.55 114.77 2jx9 n ASP 68 Ca 0.00 -0.90 0.12 0.00 -0.50 0.00 0.00 54.79 53.51 2jx9 n ASP 68 Cb 0.00 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.16 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 2.46 -4.24 0.11 5.02 -1.26 -4.81 118.16 115.44 2jx9 n LYS 69 Ca 0.00 -2.18 -0.34 0.00 -2.02 0.00 0.00 58.31 53.76 2jx9 n LYS 69 Cb 0.22 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.65 4.38 -0.92 -0.18 -1.09 -1.26 -4.56 121.20 115.92 2jx9 s ILE 70 Ca 0.35 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 2jx9 s ILE 70 Cb 0.22 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 2jx9 s ILE 70 CO 0.31 0.52 0.79 0.00 -1.23 0.00 0.00 174.94 175.34 2jx9 n ASP 72 N -2.92 0.00 -1.02 0.00 5.68 -1.26 -4.85 116.55 112.18 2jx9 n ASP 72 Ca -0.11 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 2jx9 n ASP 72 Cb 0.61 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 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 9.82 0.00 -1.75 2.12 0.00 -1.26 -5.08 120.51 124.35 2jx9 n ALA 73 Ca 0.64 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 2jx9 n ALA 73 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.56 3.68 -0.23 0.00 5.75 -1.26 -4.80 116.55 119.13 2jx9 n ASP 74 Ca 0.00 1.18 0.15 0.00 -0.01 0.00 0.00 54.79 56.12 2jx9 n ASP 74 Cb 0.00 -1.58 0.46 0.00 -1.03 0.00 0.00 41.12 38.97 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 3.89 0.49 -0.81 0.11 0.13 -1.98 -0.10 132.00 133.74 2jx9 h PRO 75 Ca -0.48 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2jx9 h PRO 75 Cb 1.24 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2jx9 h PRO 75 CO 0.72 0.33 0.38 0.74 -0.23 0.00 0.00 178.00 179.94 2jx9 h PHE 76 N 0.51 1.17 -0.01 1.56 0.04 -1.96 0.34 116.94 118.60 2jx9 h PHE 76 Ca 0.43 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.14 2jx9 h PHE 76 Cb 0.92 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2jx9 h PHE 76 CO -0.00 0.85 -0.23 1.04 -0.60 0.00 0.00 178.31 179.38 2jx9 n GLN 77 N -4.34 0.71 0.00 1.51 6.02 -0.39 -3.50 117.38 117.40 2jx9 n GLN 77 Ca 0.08 -0.37 0.07 0.00 -0.01 0.00 0.00 57.00 56.77 2jx9 n GLN 77 Cb 0.14 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.82 1.77 -0.02 -1.09 2.81 -0.19 0.15 117.12 119.73 2jx9 n MET 78 Ca 0.12 -0.76 -0.12 0.00 -1.81 0.00 0.00 57.70 55.13 2jx9 n MET 78 Cb 0.33 -1.22 -0.07 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.62 0.15 -6.19 0.03 5.08 -0.39 -3.41 114.58 111.48 2jx9 h GLU 79 Ca 0.00 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 2jx9 h GLU 79 Cb 0.49 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2jx9 h GLU 79 CO 0.00 0.38 0.75 1.21 -1.00 0.00 0.00 179.01 180.35 2jx9 s ASN 80 N -5.62 7.08 -0.36 1.42 2.47 -1.26 -4.91 114.94 113.76 2jx9 s ASN 80 Ca -0.14 1.59 0.06 0.00 0.42 0.00 0.00 52.86 54.79 2jx9 s ASN 80 Cb 0.05 -2.55 0.52 0.00 -1.45 0.00 0.00 41.25 37.83 2jx9 s ASN 80 CO 0.69 -0.63 1.58 1.33 -3.72 0.00 0.00 177.10 176.36 2jx9 n VAL 81 N 5.01 2.79 -3.43 -5.21 0.24 -1.26 -4.70 118.33 111.78 2jx9 n VAL 81 Ca 0.12 -2.81 -0.28 0.00 -2.04 0.00 0.00 64.34 59.33 2jx9 n VAL 81 Cb 0.46 -0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 32.19 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 0.68 -0.10 7.34 -1.52 -0.91 -4.14 119.66 117.65 2jx9 s GLN 82 Ca 0.50 -1.59 -0.04 0.00 -1.95 0.00 0.00 55.36 52.28 2jx9 s GLN 82 Cb 0.43 -1.30 0.05 0.00 -0.22 0.00 0.00 33.01 31.97 2jx9 s GLN 82 CO 0.02 -1.28 0.20 0.00 -0.25 0.00 0.00 175.29 173.98 2jx9 s TYR 84 N 2.00 0.86 -0.36 0.00 2.02 -1.26 -1.95 117.35 118.66 2jx9 s TYR 84 Ca -0.01 -0.64 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 2jx9 s TYR 84 Cb -0.12 -0.49 0.15 0.00 -0.40 0.00 0.00 41.96 41.10 2jx9 s TYR 84 CO -0.07 -0.07 0.35 -1.17 -1.57 0.00 0.00 175.55 173.02 2jx9 s LEU 85 N -2.16 0.03 0.21 -1.29 2.96 -1.09 -4.82 118.68 112.53 2jx9 s LEU 85 Ca -0.00 -1.52 -0.09 0.00 -0.22 0.00 0.00 54.13 52.30 2jx9 s LEU 85 Cb -0.04 0.45 0.30 0.00 0.50 0.00 0.00 46.19 47.40 2jx9 s LEU 85 CO -0.01 -0.28 1.75 -0.65 -1.32 0.00 0.00 176.35 175.84 2jx9 h PRO 86 N 7.24 0.43 0.00 0.98 0.11 -1.91 -1.73 132.00 137.12 2jx9 h PRO 86 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jx9 h PRO 86 Cb 1.05 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2jx9 h PRO 86 CO 0.23 0.29 0.00 -0.44 -0.21 0.00 0.00 178.00 177.87 2jx9 h ASP 87 N 0.45 0.00 -0.40 -2.05 5.19 -1.96 -1.81 116.42 115.84 2jx9 h ASP 87 Ca 0.32 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.85 2jx9 h ASP 87 Cb 0.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2jx9 h ASP 87 CO -0.31 0.00 0.31 0.00 -3.12 0.00 0.00 179.24 176.12 2jx9 h ALA 88 N 2.02 2.30 -0.42 3.45 0.00 -1.60 0.02 119.26 125.02 2jx9 h ALA 88 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jx9 h ALA 88 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jx9 h ALA 88 CO 0.00 -0.52 0.10 0.35 0.00 0.00 0.00 179.25 179.18 2jx9 h PHE 89 N 0.00 0.71 -0.53 0.00 3.57 -1.41 -2.44 116.94 116.85 2jx9 h PHE 89 Ca 0.19 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2jx9 h PHE 89 Cb 0.81 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2jx9 h PHE 89 CO 0.00 0.67 0.07 1.57 -2.23 0.00 0.00 178.31 178.38 2jx9 h LYS 90 N 0.54 0.89 -0.26 1.11 2.10 -1.19 -0.39 116.57 119.37 2jx9 h LYS 90 Ca 0.13 -0.25 0.01 0.00 -2.00 0.00 0.00 60.65 58.54 2jx9 h LYS 90 Cb 0.32 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2jx9 h LYS 90 CO 0.00 0.88 0.16 0.82 -2.00 0.00 0.00 179.45 179.31 2jx9 h ILE 91 N 0.77 1.05 -0.20 0.07 2.04 -1.40 -0.89 117.51 118.94 2jx9 h ILE 91 Ca 0.16 -0.11 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 2jx9 h ILE 91 Cb 0.43 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jx9 h ILE 91 CO 0.01 0.06 -0.46 0.24 0.00 0.00 0.00 178.15 178.01 2jx9 h MET 92 N 0.33 0.52 -0.37 2.37 2.86 -1.35 -2.37 114.93 116.90 2jx9 h MET 92 Ca 0.10 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2jx9 h MET 92 Cb -0.02 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2jx9 h MET 92 CO -0.03 0.87 0.14 0.77 1.06 0.00 0.00 176.91 179.72 2jx9 h SER 93 N 0.42 0.52 -0.40 1.22 0.02 -0.78 0.16 113.55 114.72 2jx9 h SER 93 Ca 0.03 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 2jx9 h SER 93 Cb 0.96 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2jx9 h SER 93 CO 0.09 0.56 0.01 1.56 -1.14 0.00 0.00 176.83 177.91 2jx9 h GLN 94 N 0.46 0.78 0.07 3.45 4.20 -1.12 0.13 115.11 123.07 2jx9 h GLN 94 Ca 0.12 -0.20 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 2jx9 h GLN 94 Cb 0.21 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2jx9 h GLN 94 CO -0.01 0.78 -1.12 0.00 -0.67 0.00 0.00 178.83 177.81 2jx9 h ARG 95 N 0.74 0.15 0.00 1.46 3.08 -1.14 -3.39 114.38 115.28 2jx9 h ARG 95 Ca 0.15 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2jx9 h ARG 95 Cb 0.43 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2jx9 h ARG 95 CO 0.02 1.12 -0.66 0.00 -1.07 0.00 0.00 179.97 179.38 2jx9 s ASN 97 N -2.04 6.43 -0.17 0.00 0.01 0.44 -1.98 114.94 117.64 2jx9 s ASN 97 Ca 0.01 2.89 0.00 0.00 -0.71 0.00 0.00 52.86 55.05 2jx9 s ASN 97 Cb 0.05 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2jx9 s ASN 97 CO 0.29 -0.87 0.00 0.59 -1.51 0.00 0.00 177.10 175.60 2jx9 n ASN 98 N 2.15 -5.17 -4.60 -1.22 4.13 -0.36 -4.96 115.26 105.23 2jx9 n ASN 98 Ca 0.08 0.04 -0.32 0.00 1.68 0.00 0.00 54.58 56.05 2jx9 n ASN 98 Cb 0.38 -2.81 -0.10 0.00 -1.54 0.00 0.00 39.78 35.71 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 -1.66 2.57 0.28 3.52 0.52 -0.83 -4.81 118.95 118.54 2jx9 s ARG 99 Ca 0.00 -0.72 0.07 0.00 -0.52 0.00 0.00 55.73 54.56 2jx9 s ARG 99 Cb 0.00 -2.52 0.39 0.00 0.52 0.00 0.00 34.95 33.34 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 3.71 1.36 -3.52 0.02 2.02 -1.86 0.81 112.91 115.46 2jx9 h THR 100 Ca -0.48 -1.78 -0.11 0.00 0.77 0.00 0.00 66.41 64.80 2jx9 h THR 100 Cb 1.17 1.89 -0.18 0.00 -1.74 0.00 0.00 68.15 69.29 2jx9 h THR 100 CO 0.54 0.52 -0.39 0.00 0.37 0.00 0.00 175.52 176.56 2jx9 s GLN 101 N -3.90 0.68 -0.20 6.66 1.03 -1.26 -0.06 119.66 122.60 2jx9 s GLN 101 Ca -0.03 -0.58 -0.17 0.00 0.04 0.00 0.00 55.36 54.62 2jx9 s GLN 101 Cb 0.13 0.28 0.06 0.00 0.03 0.00 0.00 33.01 33.51 2jx9 s GLN 101 CO 0.77 -0.19 0.53 0.00 -2.54 0.00 0.00 175.29 173.86 2jx9 s VAL 103 N 0.64 1.85 0.01 0.00 1.01 -1.26 -1.13 120.40 121.52 2jx9 s VAL 103 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2jx9 s VAL 103 Cb -0.05 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 2jx9 s VAL 103 CO -0.04 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 2jx9 s VAL 104 N 0.52 0.37 -0.30 2.92 1.01 -0.93 -4.96 120.40 119.03 2jx9 s VAL 104 Ca -0.16 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2jx9 s VAL 104 Cb -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2jx9 s VAL 104 CO 0.06 -0.12 1.25 -0.69 0.00 0.00 0.00 175.10 175.59 2jx9 s VAL 105 N -0.65 4.23 0.00 2.92 1.01 -1.26 -0.52 120.40 126.13 2jx9 s VAL 105 Ca -0.04 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2jx9 s VAL 105 Cb -0.05 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2jx9 s VAL 105 CO -0.00 -0.46 0.46 0.00 0.00 0.00 0.00 175.10 175.10 2jx9 n ALA 106 N 7.40 2.03 0.00 5.51 0.00 -0.86 -4.60 120.51 129.98 2jx9 n ALA 106 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jx9 n ALA 106 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.20 -0.12 4.23 0.00 0.00 -1.26 -2.45 105.19 106.80 2jx9 n GLY 107 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.55 113.62 116.30 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 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 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 -2.42 0.00 0.03 -3.46 8.00 -1.26 -1.71 116.55 115.74 2jx9 n ASP 109 Ca 0.00 -0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.17 2jx9 n ASP 109 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.89 2.70 -3.73 2.24 0.00 -0.23 -4.79 120.51 115.82 2jx9 n ALA 110 Ca 0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 2jx9 n ALA 110 Cb 0.03 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 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 -3.05 -0.33 0.00 0.00 0.08 0.29 -4.89 117.98 110.07 2jx9 s PHE 111 Ca 0.11 0.79 0.00 0.00 0.12 0.00 0.00 56.93 57.96 2jx9 s PHE 111 Cb 0.16 0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.66 2jx9 s PHE 111 CO 0.62 -0.24 0.00 -2.30 -0.10 0.00 0.00 175.22 173.20 2jx9 n PRO 112 N 4.24 3.14 -3.31 0.24 -0.02 -1.26 -4.62 135.00 133.40 2jx9 n PRO 112 Ca -0.25 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.01 2jx9 n PRO 112 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 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 -2.48 1.22 0.00 2.55 -1.08 -1.26 -4.95 116.67 110.67 2jx9 s ASP 113 Ca 0.00 -2.44 0.24 0.00 -0.52 0.00 0.00 52.55 49.83 2jx9 s ASP 113 Cb 0.00 0.09 1.17 0.00 -1.46 0.00 0.00 42.92 42.72 2jx9 s ASP 113 CO 0.00 -0.19 1.80 -0.81 0.52 0.00 0.00 175.17 176.49 2jx9 n PRO 114 N 3.33 0.24 -2.72 4.34 -0.04 -1.26 -4.33 135.00 134.57 2jx9 n PRO 114 Ca 0.22 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.67 2jx9 n PRO 114 Cb 0.47 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.45 1.19 -0.91 0.00 -0.02 -1.26 -1.94 135.00 133.52 2jx9 n PRO 116 Ca 0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2jx9 n PRO 116 Cb 0.67 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.29 0.86 3.35 -1.23 0.00 -1.26 -5.02 105.19 103.18 2jx9 n GLY 117 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.41 2.13 -0.46 2.61 2.01 -0.82 -4.33 115.64 113.37 2jx9 s THR 118 Ca 0.00 -1.48 -0.28 0.00 0.31 0.00 0.00 61.69 60.23 2jx9 s THR 118 Cb 0.00 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.69 2jx9 s THR 118 CO 0.00 0.27 1.10 -0.47 -0.69 0.00 0.00 174.62 174.83 2jx9 s TYR 119 N -0.88 2.85 0.00 4.92 6.14 0.41 -4.99 117.35 125.80 2jx9 s TYR 119 Ca 0.12 0.69 0.00 0.00 0.64 0.00 0.00 57.07 58.52 2jx9 s TYR 119 Cb -0.10 -4.31 0.00 0.00 0.42 0.00 0.00 41.96 37.97 2jx9 s TYR 119 CO 0.03 -1.21 0.00 1.63 0.64 0.00 0.00 175.55 176.64 2jx9 n LYS 120 N 7.67 1.31 -3.69 4.97 5.02 -1.26 -4.79 118.16 127.39 2jx9 n LYS 120 Ca 0.11 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.39 2jx9 n LYS 120 Cb 0.49 0.00 -0.01 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 0.57 -0.10 -0.10 2.13 -0.85 0.32 -2.36 117.35 116.96 2jx9 s TYR 121 Ca 0.00 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.45 2jx9 s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.95 2jx9 s TYR 121 CO 0.00 -0.58 -0.12 -1.17 -1.52 0.00 0.00 175.55 172.16 2jx9 s LEU 122 N -2.94 1.54 -0.13 -3.49 2.96 -0.84 -0.72 118.68 115.06 2jx9 s LEU 122 Ca 0.13 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2jx9 s LEU 122 Cb 0.01 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.76 2jx9 s LEU 122 CO -0.01 -0.03 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.08 2jx9 s GLU 123 N 1.16 2.96 -0.07 1.98 2.12 -0.67 -2.01 118.70 124.18 2jx9 s GLU 123 Ca -0.04 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.46 2jx9 s GLU 123 Cb -0.14 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 31.89 2jx9 s GLU 123 CO -0.03 0.00 -0.06 0.08 -0.54 0.00 0.00 175.26 174.71 2jx9 s VAL 124 N 0.77 0.75 -0.19 3.70 1.01 -0.39 -1.22 120.40 124.84 2jx9 s VAL 124 Ca -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2jx9 s VAL 124 Cb -0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2jx9 s VAL 124 CO -0.01 0.29 -0.01 -1.10 0.00 0.00 0.00 175.10 174.28 2jx9 s GLN 125 N 1.24 3.64 0.29 2.72 1.11 0.52 -1.74 119.66 127.45 2jx9 s GLN 125 Ca -0.05 -0.52 -0.12 0.00 0.01 0.00 0.00 55.36 54.68 2jx9 s GLN 125 Cb -0.14 -3.04 0.01 0.00 -1.01 0.00 0.00 33.01 28.83 2jx9 s GLN 125 CO -0.02 0.08 0.55 1.52 0.01 0.00 0.00 175.29 177.43 2jx9 s TYR 126 N 0.82 0.40 0.21 0.91 1.13 -0.66 -2.25 117.35 117.92 2jx9 s TYR 126 Ca 0.00 -0.79 0.09 0.00 -1.41 0.00 0.00 57.07 54.95 2jx9 s TYR 126 Cb -0.14 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2jx9 s TYR 126 CO 0.02 -1.14 -0.16 -0.51 -2.51 0.00 0.00 175.55 171.25 2jx9 s ASP 127 N -3.06 2.76 -0.22 -0.18 1.01 -1.04 -1.99 116.67 113.94 2jx9 s ASP 127 Ca 0.22 -1.00 -0.05 0.00 0.71 0.00 0.00 52.55 52.42 2jx9 s ASP 127 Cb -0.02 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.72 2jx9 s ASP 127 CO 0.11 -0.12 0.01 0.00 0.21 0.00 0.00 175.17 175.38 2jx9 s VAL 129 N 1.39 1.10 0.45 0.00 -7.23 -0.89 -4.81 120.40 110.41 2jx9 s VAL 129 Ca 0.05 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 2jx9 s VAL 129 Cb -0.15 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 2jx9 s VAL 129 CO 0.01 -0.69 1.18 -2.65 -0.31 0.00 0.00 175.10 172.63 2jx9 n PRO 130 N 0.03 1.64 0.00 4.82 -0.02 -1.26 0.24 135.00 140.45 2jx9 n PRO 130 Ca -0.12 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 2jx9 n PRO 130 Cb 0.60 -2.29 0.50 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.54 0.02 -3.75 6.00 9.36 -0.82 -4.64 117.16 122.79 2jx9 n TYR 131 Ca 0.08 0.01 -0.15 0.00 3.32 0.00 0.00 57.90 61.16 2jx9 n TYR 131 Cb 0.41 -0.51 -0.16 0.00 -0.63 0.00 0.00 39.34 38.45 2jx9 n TYR 131 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2jx9 s LYS 132 N -3.00 -0.01 -0.01 2.98 2.20 -1.26 -5.08 119.74 115.56 2jx9 s LYS 132 Ca 0.11 0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.83 2jx9 s LYS 132 Cb 0.15 -0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.16 2jx9 s LYS 132 CO 0.43 -0.19 0.43 0.54 -0.36 0.00 0.00 175.35 176.20 2jx9 s VAL 133 N 1.23 5.02 0.00 4.02 0.11 -1.26 -5.16 120.40 124.36 2jx9 s VAL 133 Ca -0.08 0.88 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 2jx9 s VAL 133 Cb -0.13 -3.74 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 2jx9 s VAL 133 CO -0.04 0.55 0.00 -0.62 -3.33 0.00 0.00 175.10 171.66