#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 n LEU 30 N 0.00 2.96 0.00 0.99 4.77 -1.26 -5.10 117.00 119.36 2jx9 n LEU 30 Ca 0.00 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 50.77 2jx9 n LEU 30 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2jx9 n LEU 30 CO 0.00 1.81 0.00 -2.65 -1.33 0.00 0.00 177.39 175.22 2jx9 n PRO 31 N 1.82 1.22 0.07 3.23 -0.02 -1.26 -4.82 135.00 135.24 2jx9 n PRO 31 Ca 0.22 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.83 2jx9 n PRO 31 Cb 0.37 0.00 0.47 0.00 -0.02 0.00 0.00 33.50 34.31 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 -1.08 0.61 -1.99 6.00 3.01 -1.26 -4.91 117.46 117.85 2jx9 n PHE 32 Ca 0.00 0.19 -0.09 0.00 1.01 0.00 0.00 57.45 58.56 2jx9 n PHE 32 Cb 0.00 -0.81 -0.01 0.00 -0.01 0.00 0.00 39.48 38.65 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 0.22 2.98 1.37 0.00 -1.26 -4.99 105.19 104.58 2jx9 n GLY 33 Ca 0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 2jx9 n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jx9 s LEU 34 N -2.48 -1.01 0.22 0.99 2.96 -1.26 -5.10 118.68 113.00 2jx9 s LEU 34 Ca 0.00 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2jx9 s LEU 34 Cb 0.00 1.36 0.00 0.00 0.50 0.00 0.00 46.19 48.05 2jx9 s LEU 34 CO 0.00 -0.33 0.00 0.23 -1.32 0.00 0.00 176.35 174.93 2jx9 n MET 35 N 5.30 -2.65 -3.50 1.98 2.81 -1.26 -4.90 117.12 114.89 2jx9 n MET 35 Ca 0.03 1.93 -0.36 0.00 -1.81 0.00 0.00 57.70 57.49 2jx9 n MET 35 Cb 0.51 -2.39 -0.06 0.00 -0.71 0.00 0.00 33.22 30.57 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 -2.03 3.86 -0.16 0.03 0.52 0.42 -4.94 118.95 116.65 2jx9 s ARG 36 Ca 0.00 0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 2jx9 s ARG 36 Cb 0.00 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.47 2jx9 s ARG 36 CO 0.00 0.58 0.42 0.50 0.02 0.00 0.00 175.30 176.82 2jx9 s ARG 37 N -1.69 0.48 0.03 3.54 3.52 -1.26 -0.97 118.95 122.60 2jx9 s ARG 37 Ca 0.32 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.56 2jx9 s ARG 37 Cb -0.15 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.43 2jx9 s ARG 37 CO 0.17 -0.07 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.28 2jx9 s GLU 38 N 0.38 0.65 -0.03 5.12 0.41 -0.92 -5.00 118.70 119.31 2jx9 s GLU 38 Ca -0.01 -0.66 0.01 0.00 -0.41 0.00 0.00 54.97 53.90 2jx9 s GLU 38 Cb -0.04 -0.55 0.02 0.00 -1.78 0.00 0.00 34.13 31.78 2jx9 s GLU 38 CO -0.01 0.13 -0.04 -1.17 -0.49 0.00 0.00 175.26 173.67 2jx9 s LEU 39 N -1.18 1.47 -0.01 1.80 0.20 -1.26 -1.32 118.68 118.39 2jx9 s LEU 39 Ca -0.04 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 54.71 2jx9 s LEU 39 Cb -0.08 -0.40 -0.01 0.00 -0.43 0.00 0.00 46.19 45.27 2jx9 s LEU 39 CO 0.01 -0.03 -0.13 0.00 -0.29 0.00 0.00 176.35 175.91 2jx9 s ALA 40 N 0.67 1.12 0.26 5.97 0.00 -0.25 -4.97 121.76 124.55 2jx9 s ALA 40 Ca -0.09 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 2jx9 s ALA 40 Cb -0.12 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 2jx9 s ALA 40 CO 0.00 0.27 1.29 0.00 0.00 0.00 0.00 175.76 177.32 2jx9 n GLU 42 N 1.78 1.12 0.00 0.00 2.13 -0.98 -1.55 120.64 123.13 2jx9 n GLU 42 Ca 0.03 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2jx9 n GLU 42 Cb 0.43 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 2.12 2.81 3.60 8.31 0.00 -1.06 -4.92 105.19 116.05 2jx9 n GLY 43 Ca 0.16 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 -2.64 2.82 0.66 1.61 2.02 -0.60 -4.81 117.35 116.42 2jx9 s TYR 44 Ca 0.00 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.43 2jx9 s TYR 44 Cb 0.00 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2jx9 s TYR 44 CO 0.00 0.41 1.23 -1.25 -1.57 0.00 0.00 175.55 174.38 2jx9 s PRO 45 N -1.98 2.52 0.08 -1.71 0.04 -1.26 -2.25 135.00 130.44 2jx9 s PRO 45 Ca 0.21 1.86 0.10 0.00 0.04 0.00 0.00 61.00 63.21 2jx9 s PRO 45 Cb -0.11 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2jx9 s PRO 45 CO 0.13 -1.57 -0.25 -1.50 0.04 0.00 0.00 177.00 173.85 2jx9 s ILE 46 N -1.70 2.35 -0.05 0.56 2.07 0.26 -4.82 121.20 119.87 2jx9 s ILE 46 Ca 0.78 -1.50 -0.00 0.00 -1.41 0.00 0.00 60.65 58.51 2jx9 s ILE 46 Cb -0.32 -1.99 0.03 0.00 0.13 0.00 0.00 42.46 40.31 2jx9 s ILE 46 CO 0.40 0.24 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.96 2jx9 s GLU 47 N -1.65 0.56 0.03 3.50 2.12 -1.26 -1.29 118.70 120.71 2jx9 s GLU 47 Ca 0.14 0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.56 2jx9 s GLU 47 Cb -0.10 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.47 2jx9 s GLU 47 CO 0.05 -0.20 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.00 2jx9 s LEU 48 N 1.42 3.19 -0.12 2.70 1.43 -0.35 -4.96 118.68 121.99 2jx9 s LEU 48 Ca -0.04 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2jx9 s LEU 48 Cb -0.13 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.25 2jx9 s LEU 48 CO -0.03 0.25 0.31 -0.13 0.23 0.00 0.00 176.35 176.98 2jx9 s ARG 49 N -1.67 0.33 -0.03 1.70 0.52 -1.26 -1.56 118.95 116.98 2jx9 s ARG 49 Ca 0.19 0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.88 2jx9 s ARG 49 Cb -0.11 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2jx9 s ARG 49 CO 0.10 -0.08 0.07 0.00 0.02 0.00 0.00 175.30 175.41 2jx9 s PRO 51 N -1.53 2.28 4.29 0.00 0.04 -1.26 -4.72 135.00 134.10 2jx9 s PRO 51 Ca 0.20 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2jx9 s PRO 51 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jx9 s PRO 51 CO 0.11 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2jx9 n GLY 52 N -1.50 2.96 1.32 0.56 0.00 -1.26 -1.77 105.19 105.50 2jx9 n GLY 52 Ca 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 2.48 3.93 -4.87 1.61 3.41 -1.26 -5.00 113.62 113.93 2jx9 n SER 53 Ca 0.00 -3.24 -0.29 0.00 -0.26 0.00 0.00 58.87 55.07 2jx9 n SER 53 Cb 0.00 -0.63 0.09 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.76 4.59 0.03 4.04 1.01 -0.73 -3.10 116.67 120.75 2jx9 s ASP 54 Ca 0.47 0.97 0.04 0.00 0.71 0.00 0.00 52.55 54.74 2jx9 s ASP 54 Cb 0.39 -1.58 -0.02 0.00 1.01 0.00 0.00 42.92 42.71 2jx9 s ASP 54 CO 0.09 -1.87 -0.13 0.68 0.21 0.00 0.00 175.17 174.15 2jx9 s VAL 55 N -3.42 1.03 0.32 -1.27 -7.23 0.11 -4.34 120.40 105.59 2jx9 s VAL 55 Ca 0.61 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.57 2jx9 s VAL 55 Cb -0.12 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.78 2jx9 s VAL 55 CO 0.51 0.01 1.26 -0.63 -0.31 0.00 0.00 175.10 175.94 2jx9 s ILE 56 N -0.80 2.90 -0.32 -0.62 1.01 0.24 -2.25 121.20 121.37 2jx9 s ILE 56 Ca 0.01 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 2jx9 s ILE 56 Cb -0.07 -3.58 0.10 0.00 0.01 0.00 0.00 42.46 38.92 2jx9 s ILE 56 CO 0.01 0.21 0.10 0.00 0.00 0.00 0.00 174.94 175.27 2jx9 s MET 57 N -1.65 0.73 0.08 2.79 0.23 -0.49 -0.89 119.30 120.09 2jx9 s MET 57 Ca 0.48 -1.11 -0.31 0.00 -1.03 0.00 0.00 55.69 53.73 2jx9 s MET 57 Cb -0.38 -1.99 -0.09 0.00 -1.53 0.00 0.00 34.83 30.84 2jx9 s MET 57 CO 0.50 -1.00 1.74 0.08 -2.03 0.00 0.00 175.02 174.31 2jx9 s VAL 58 N 1.57 2.91 -0.25 5.16 1.01 -1.26 -2.54 120.40 127.00 2jx9 s VAL 58 Ca 0.10 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2jx9 s VAL 58 Cb -0.18 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 2jx9 s VAL 58 CO -0.24 -0.01 -0.31 -0.62 0.00 0.00 0.00 175.10 173.93 2jx9 n GLU 59 N 5.92 0.54 -3.72 2.72 -0.58 -0.12 -4.97 120.64 120.43 2jx9 n GLU 59 Ca 0.17 0.22 -0.14 0.00 -0.42 0.00 0.00 57.16 56.99 2jx9 n GLU 59 Cb 0.40 -1.40 -0.09 0.00 -0.57 0.00 0.00 31.44 29.78 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 -7.12 -0.31 -0.04 1.62 0.01 -0.96 -5.02 114.94 103.12 2jx9 s ASN 60 Ca -0.35 0.35 -0.29 0.00 -0.71 0.00 0.00 52.86 51.87 2jx9 s ASN 60 Cb 0.13 0.47 0.10 0.00 0.41 0.00 0.00 41.25 42.36 2jx9 s ASN 60 CO 0.46 -0.39 0.87 0.00 -1.51 0.00 0.00 177.10 176.52 2jx9 s ALA 61 N -0.93 -1.83 -0.08 0.60 0.00 -1.26 0.37 121.76 118.63 2jx9 s ALA 61 Ca -0.10 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.88 2jx9 s ALA 61 Cb -0.04 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.17 2jx9 s ALA 61 CO 0.04 -0.54 0.40 1.21 0.00 0.00 0.00 175.76 176.88 2jx9 s ASN 62 N -1.91 -0.36 -0.21 0.00 2.47 -0.45 -3.93 114.94 110.55 2jx9 s ASN 62 Ca 0.00 0.50 -0.01 0.00 0.42 0.00 0.00 52.86 53.77 2jx9 s ASN 62 Cb -0.01 0.58 0.02 0.00 -1.45 0.00 0.00 41.25 40.39 2jx9 s ASN 62 CO -0.04 -0.34 -0.12 -0.47 -3.72 0.00 0.00 177.10 172.42 2jx9 s TYR 63 N -0.64 2.93 0.00 0.43 5.04 -1.26 -1.67 117.35 122.18 2jx9 s TYR 63 Ca -0.07 -1.49 0.00 0.00 -2.44 0.00 0.00 57.07 53.06 2jx9 s TYR 63 Cb -0.04 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.27 2jx9 s TYR 63 CO 0.03 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 2jx9 n GLY 64 N 4.66 -0.56 3.24 8.97 0.00 -0.03 -3.19 105.19 118.29 2jx9 n GLY 64 Ca -0.19 -0.31 -0.08 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 -1.41 0.33 0.00 1.61 3.52 -0.89 0.24 118.95 122.36 2jx9 s ARG 65 Ca 0.00 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 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 -0.29 0.87 0.25 -0.81 0.00 0.00 175.30 175.32 2jx9 n THR 66 N 5.39 0.76 -3.25 4.11 -2.24 -1.26 -0.54 114.28 117.25 2jx9 n THR 66 Ca -0.08 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2jx9 n THR 66 Cb 0.49 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.38 0.00 0.00 3.42 -0.08 -1.26 -4.77 116.55 113.48 2jx9 n ASP 67 Ca 0.00 -0.42 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 2jx9 n ASP 67 Cb 0.23 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.69 2jx9 n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2jx9 n ASP 68 N -1.12 0.00 -0.98 1.67 5.68 -1.26 -4.38 116.55 116.16 2jx9 n ASP 68 Ca 0.00 -0.83 0.10 0.00 -0.50 0.00 0.00 54.79 53.56 2jx9 n ASP 68 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 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 2.26 -4.29 0.11 5.02 -1.26 -4.88 118.16 115.12 2jx9 n LYS 69 Ca 0.00 -2.08 -0.35 0.00 -2.02 0.00 0.00 58.31 53.86 2jx9 n LYS 69 Cb 0.21 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.39 4.33 -0.85 -0.18 -1.09 -1.26 -4.60 121.20 116.16 2jx9 s ILE 70 Ca 0.32 -0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2jx9 s ILE 70 Cb 0.19 -2.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 2jx9 s ILE 70 CO 0.27 0.55 0.77 0.00 -1.23 0.00 0.00 174.94 175.30 2jx9 n ASP 72 N -2.28 1.63 -0.45 0.00 5.68 -1.26 -4.89 116.55 114.98 2jx9 n ASP 72 Ca -0.03 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 2jx9 n ASP 72 Cb 0.54 -1.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 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 9.70 0.00 -1.79 2.12 0.00 -1.26 -5.11 120.51 124.17 2jx9 n ALA 73 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 2jx9 n ALA 73 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 0.40 6.54 0.46 0.00 -4.77 -1.26 -4.88 116.67 113.16 2jx9 s ASP 74 Ca 0.00 2.85 0.13 0.00 -3.30 0.00 0.00 52.55 52.22 2jx9 s ASP 74 Cb 0.00 -2.65 1.06 0.00 -1.09 0.00 0.00 42.92 40.24 2jx9 s ASP 74 CO 0.00 -0.74 2.06 1.55 0.70 0.00 0.00 175.17 178.74 2jx9 h PRO 75 N 3.79 0.31 -0.75 2.11 0.13 -1.99 -1.46 132.00 134.13 2jx9 h PRO 75 Ca -0.49 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jx9 h PRO 75 Cb 1.23 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2jx9 h PRO 75 CO 0.69 0.20 0.45 0.74 -0.23 0.00 0.00 178.00 179.86 2jx9 h PHE 76 N 0.32 0.99 0.00 1.56 0.04 -1.97 0.60 116.94 118.47 2jx9 h PHE 76 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2jx9 h PHE 76 Cb 0.17 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2jx9 h PHE 76 CO -0.00 0.66 -0.34 1.04 -0.60 0.00 0.00 178.31 179.07 2jx9 n GLN 77 N -4.38 0.05 -0.01 1.51 6.02 -0.63 -3.65 117.38 116.29 2jx9 n GLN 77 Ca 0.08 0.02 0.07 0.00 -0.01 0.00 0.00 57.00 57.16 2jx9 n GLN 77 Cb 0.07 -1.54 0.06 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.62 0.96 -0.15 -1.09 2.81 -0.24 -0.74 117.12 117.05 2jx9 n MET 78 Ca 0.06 -1.34 -0.09 0.00 -1.81 0.00 0.00 57.70 54.51 2jx9 n MET 78 Cb 0.35 -1.26 -0.01 0.00 -0.71 0.00 0.00 33.22 31.60 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 2.62 0.69 -6.43 0.03 5.08 0.05 -3.41 114.58 113.21 2jx9 h GLU 79 Ca 0.00 -0.17 -0.57 0.00 -1.00 0.00 0.00 59.36 57.62 2jx9 h GLU 79 Cb 0.57 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2jx9 h GLU 79 CO 0.00 0.71 0.91 1.21 -1.00 0.00 0.00 179.01 180.84 2jx9 s ASN 80 N -6.07 6.77 -0.42 1.42 2.47 -1.26 -4.89 114.94 112.96 2jx9 s ASN 80 Ca -0.13 0.94 0.05 0.00 0.42 0.00 0.00 52.86 54.14 2jx9 s ASN 80 Cb 0.10 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.92 2jx9 s ASN 80 CO 0.78 -1.04 1.73 1.33 -3.72 0.00 0.00 177.10 176.17 2jx9 n VAL 81 N 6.24 3.01 -3.42 -5.21 0.24 -1.26 -4.71 118.33 113.21 2jx9 n VAL 81 Ca 0.13 -2.59 -0.27 0.00 -2.04 0.00 0.00 64.34 59.57 2jx9 n VAL 81 Cb 0.47 -0.60 -0.11 0.00 -1.47 0.00 0.00 33.84 32.14 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 -3.41 0.67 -0.14 7.34 -1.52 -0.87 -4.18 119.66 117.56 2jx9 s GLN 82 Ca 0.54 -1.56 -0.05 0.00 -1.95 0.00 0.00 55.36 52.34 2jx9 s GLN 82 Cb 0.46 -1.29 0.07 0.00 -0.22 0.00 0.00 33.01 32.03 2jx9 s GLN 82 CO 0.04 -1.27 0.29 0.00 -0.25 0.00 0.00 175.29 174.10 2jx9 s TYR 84 N 2.35 1.07 -0.34 0.00 1.51 -1.26 -2.09 117.35 118.59 2jx9 s TYR 84 Ca -0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2jx9 s TYR 84 Cb -0.12 -0.59 0.14 0.00 -0.11 0.00 0.00 41.96 41.28 2jx9 s TYR 84 CO -0.09 0.01 0.27 -1.17 -1.11 0.00 0.00 175.55 173.47 2jx9 s LEU 85 N -2.08 0.32 0.20 -1.29 2.96 -1.19 -4.83 118.68 112.77 2jx9 s LEU 85 Ca 0.01 -1.58 -0.13 0.00 -0.22 0.00 0.00 54.13 52.21 2jx9 s LEU 85 Cb -0.06 0.11 0.23 0.00 0.50 0.00 0.00 46.19 46.97 2jx9 s LEU 85 CO 0.01 -0.33 1.65 -0.65 -1.32 0.00 0.00 176.35 175.72 2jx9 h PRO 86 N 7.46 0.06 -0.12 0.98 0.11 -1.91 -1.15 132.00 137.44 2jx9 h PRO 86 Ca -0.02 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.12 2jx9 h PRO 86 Cb 1.02 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jx9 h PRO 86 CO 0.28 0.04 0.16 -0.44 -0.21 0.00 0.00 178.00 177.83 2jx9 h ASP 87 N 0.06 0.00 -0.90 -2.05 3.32 -1.96 -1.16 116.42 113.73 2jx9 h ASP 87 Ca 0.29 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.58 2jx9 h ASP 87 Cb 0.45 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2jx9 h ASP 87 CO -0.53 0.00 0.63 0.00 -1.72 0.00 0.00 179.24 177.62 2jx9 h ALA 88 N 1.80 2.66 -0.25 3.45 0.00 -1.52 0.26 119.26 125.66 2jx9 h ALA 88 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jx9 h ALA 88 Cb 0.37 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jx9 h ALA 88 CO -0.00 -0.92 -0.02 0.35 0.00 0.00 0.00 179.25 178.66 2jx9 h PHE 89 N 0.12 0.50 -0.68 0.00 3.57 -1.32 -2.72 116.94 116.40 2jx9 h PHE 89 Ca 0.44 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.78 2jx9 h PHE 89 Cb 1.55 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 2jx9 h PHE 89 CO -0.00 0.64 0.16 1.57 -2.23 0.00 0.00 178.31 178.45 2jx9 h LYS 90 N 0.21 1.07 0.29 1.11 2.10 -0.67 -0.63 116.57 120.06 2jx9 h LYS 90 Ca 0.07 -0.25 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 2jx9 h LYS 90 Cb 0.45 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2jx9 h LYS 90 CO 0.02 0.95 -0.14 0.82 -2.00 0.00 0.00 179.45 179.09 2jx9 h ILE 91 N 1.02 0.71 -0.19 0.07 2.04 -1.26 -1.64 117.51 118.26 2jx9 h ILE 91 Ca 0.21 -0.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.92 2jx9 h ILE 91 Cb 0.36 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2jx9 h ILE 91 CO 0.00 0.00 -0.46 0.24 0.00 0.00 0.00 178.15 177.93 2jx9 h MET 92 N -0.40 0.49 -0.27 2.37 2.86 -1.44 -1.81 114.93 116.73 2jx9 h MET 92 Ca -0.04 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2jx9 h MET 92 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2jx9 h MET 92 CO 0.07 0.85 0.18 0.77 1.06 0.00 0.00 176.91 179.84 2jx9 h SER 93 N 0.39 0.31 -0.28 1.22 0.02 -1.02 0.30 113.55 114.50 2jx9 h SER 93 Ca 0.02 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2jx9 h SER 93 Cb 0.96 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2jx9 h SER 93 CO 0.08 0.22 -0.16 1.56 -1.14 0.00 0.00 176.83 177.40 2jx9 h GLN 94 N 0.36 0.72 0.02 3.45 4.20 -1.24 0.24 115.11 122.87 2jx9 h GLN 94 Ca 0.10 -0.25 -0.21 0.00 0.06 0.00 0.00 58.65 58.35 2jx9 h GLN 94 Cb -0.04 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2jx9 h GLN 94 CO -0.02 0.84 -0.95 0.00 -0.67 0.00 0.00 178.83 178.02 2jx9 h ARG 95 N 0.64 0.18 0.00 1.46 3.08 -0.84 -3.38 114.38 115.51 2jx9 h ARG 95 Ca 0.10 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jx9 h ARG 95 Cb 0.63 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2jx9 h ARG 95 CO 0.04 1.00 -1.09 0.00 -1.07 0.00 0.00 179.97 178.85 2jx9 n ASN 97 N -1.61 3.26 -0.37 0.00 3.02 0.07 -1.46 115.26 118.17 2jx9 n ASN 97 Ca -0.01 1.16 -0.05 0.00 -0.03 0.00 0.00 54.58 55.66 2jx9 n ASN 97 Cb 0.18 -1.52 -0.02 0.00 -0.61 0.00 0.00 39.78 37.82 2jx9 n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jx9 n ASN 98 N 1.78 -5.18 -4.56 6.41 4.13 -0.07 -4.95 115.26 112.82 2jx9 n ASN 98 Ca 0.08 0.12 -0.32 0.00 1.68 0.00 0.00 54.58 56.15 2jx9 n ASN 98 Cb 0.35 -3.10 -0.11 0.00 -1.54 0.00 0.00 39.78 35.38 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 -2.07 2.41 0.25 3.52 0.52 -0.54 -4.79 118.95 118.24 2jx9 s ARG 99 Ca 0.00 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 2jx9 s ARG 99 Cb 0.00 -2.41 0.29 0.00 0.52 0.00 0.00 34.95 33.35 2jx9 s ARG 99 CO 0.00 0.58 1.61 1.15 0.02 0.00 0.00 175.30 178.66 2jx9 h THR 100 N 3.75 1.33 -3.21 0.02 2.02 -1.85 0.69 112.91 115.66 2jx9 h THR 100 Ca -0.48 -1.71 -0.09 0.00 0.77 0.00 0.00 66.41 64.89 2jx9 h THR 100 Cb 1.16 1.77 -0.17 0.00 -1.74 0.00 0.00 68.15 69.17 2jx9 h THR 100 CO 0.52 0.52 -0.22 0.00 0.37 0.00 0.00 175.52 176.71 2jx9 s GLN 101 N -4.02 0.82 -0.20 6.66 -2.07 -1.26 0.23 119.66 119.81 2jx9 s GLN 101 Ca -0.05 -0.44 -0.18 0.00 -1.82 0.00 0.00 55.36 52.87 2jx9 s GLN 101 Cb 0.12 0.36 0.05 0.00 -1.09 0.00 0.00 33.01 32.46 2jx9 s GLN 101 CO 0.80 -0.26 0.54 0.00 -1.32 0.00 0.00 175.29 175.05 2jx9 s VAL 103 N 0.40 1.80 0.03 0.00 1.01 -1.26 -1.21 120.40 121.17 2jx9 s VAL 103 Ca -0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2jx9 s VAL 103 Cb -0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2jx9 s VAL 103 CO -0.01 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 174.98 2jx9 s VAL 104 N -0.13 0.12 -0.34 2.92 1.01 -0.42 -4.95 120.40 118.62 2jx9 s VAL 104 Ca -0.02 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 2jx9 s VAL 104 Cb -0.12 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2jx9 s VAL 104 CO 0.03 -0.55 0.91 -0.69 0.00 0.00 0.00 175.10 174.80 2jx9 s VAL 105 N -2.16 4.64 0.00 2.92 1.01 -1.26 0.91 120.40 126.46 2jx9 s VAL 105 Ca -0.09 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2jx9 s VAL 105 Cb -0.04 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2jx9 s VAL 105 CO -0.03 -0.43 1.03 0.00 0.00 0.00 0.00 175.10 175.67 2jx9 n ALA 106 N 6.60 2.73 -2.00 5.51 0.00 -0.96 -4.61 120.51 127.78 2jx9 n ALA 106 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2jx9 n ALA 106 Cb 0.48 -1.26 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 1.36 -0.05 2.45 0.00 0.00 -1.26 -2.55 105.19 105.14 2jx9 n GLY 107 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.92 113.62 115.93 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 0.39 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.40 0.00 0.02 -3.46 8.00 -1.26 -2.30 116.55 116.15 2jx9 n ASP 109 Ca 0.00 -0.51 0.13 0.00 0.71 0.00 0.00 54.79 55.12 2jx9 n ASP 109 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 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 2.66 -3.49 2.24 0.00 -0.65 -4.78 120.51 115.54 2jx9 n ALA 110 Ca 0.10 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2jx9 n ALA 110 Cb 0.05 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.03 -0.22 0.00 0.00 0.08 -0.10 -4.91 117.98 109.80 2jx9 s PHE 111 Ca 0.12 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.74 2jx9 s PHE 111 Cb 0.17 0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.63 2jx9 s PHE 111 CO 0.60 -0.16 0.00 -2.30 -0.10 0.00 0.00 175.22 173.26 2jx9 n PRO 112 N 3.77 2.86 -3.41 0.24 -0.02 -1.26 -4.70 135.00 132.47 2jx9 n PRO 112 Ca -0.21 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.05 2jx9 n PRO 112 Cb 0.55 0.00 -0.10 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 -2.34 2.03 0.07 2.55 -1.08 -1.26 -4.98 116.67 111.66 2jx9 s ASP 113 Ca 0.00 -1.76 0.28 0.00 -0.52 0.00 0.00 52.55 50.55 2jx9 s ASP 113 Cb 0.00 0.13 1.02 0.00 -1.46 0.00 0.00 42.92 42.62 2jx9 s ASP 113 CO 0.00 -0.30 1.83 -0.81 0.52 0.00 0.00 175.17 176.41 2jx9 n PRO 114 N 4.27 0.09 -2.73 4.34 -0.04 -1.26 -4.54 135.00 135.14 2jx9 n PRO 114 Ca 0.10 0.07 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 2jx9 n PRO 114 Cb 0.42 -1.60 0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.41 0.51 -0.94 0.00 -0.02 -1.26 -2.27 135.00 133.42 2jx9 n PRO 116 Ca 0.13 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2jx9 n PRO 116 Cb 0.61 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.04 0.24 3.40 -1.23 0.00 -1.26 -4.97 105.19 102.42 2jx9 n GLY 117 Ca 0.13 0.00 -0.29 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 -1.57 2.35 -0.50 2.61 2.01 -0.96 -4.44 115.64 115.15 2jx9 s THR 118 Ca 0.00 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 60.10 2jx9 s THR 118 Cb 0.00 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.52 2jx9 s THR 118 CO 0.00 0.15 1.02 -0.47 -0.69 0.00 0.00 174.62 174.62 2jx9 s TYR 119 N -1.03 2.83 0.00 4.92 6.14 0.08 -4.99 117.35 125.30 2jx9 s TYR 119 Ca 0.14 0.41 0.00 0.00 0.64 0.00 0.00 57.07 58.26 2jx9 s TYR 119 Cb -0.10 -4.18 0.00 0.00 0.42 0.00 0.00 41.96 38.10 2jx9 s TYR 119 CO 0.06 -1.25 0.00 1.63 0.64 0.00 0.00 175.55 176.63 2jx9 n LYS 120 N 7.56 1.50 -3.83 4.97 5.02 -1.26 -4.78 118.16 127.35 2jx9 n LYS 120 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2jx9 n LYS 120 Cb 0.49 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 0.65 0.00 -0.06 2.13 -0.85 0.14 -2.33 117.35 117.02 2jx9 s TYR 121 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2jx9 s TYR 121 Cb 0.00 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jx9 s TYR 121 CO 0.00 -0.47 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.35 2jx9 s LEU 122 N -3.38 1.15 -0.09 -3.49 2.96 -0.43 -0.85 118.68 114.54 2jx9 s LEU 122 Ca 0.21 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 2jx9 s LEU 122 Cb 0.01 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.16 2jx9 s LEU 122 CO -0.00 -0.09 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.05 2jx9 s GLU 123 N 1.28 2.48 -0.06 1.98 2.12 -0.67 -1.09 118.70 124.74 2jx9 s GLU 123 Ca -0.05 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.61 2jx9 s GLU 123 Cb -0.14 -1.97 0.02 0.00 0.26 0.00 0.00 34.13 32.31 2jx9 s GLU 123 CO -0.02 0.07 -0.05 0.08 -0.54 0.00 0.00 175.26 174.80 2jx9 s VAL 124 N 0.61 0.64 -0.17 3.70 1.01 -0.43 -1.34 120.40 124.41 2jx9 s VAL 124 Ca -0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2jx9 s VAL 124 Cb -0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2jx9 s VAL 124 CO 0.04 0.26 -0.01 -1.10 0.00 0.00 0.00 175.10 174.29 2jx9 s GLN 125 N 1.15 3.70 0.33 2.72 1.11 0.16 -2.16 119.66 126.67 2jx9 s GLN 125 Ca -0.07 -0.50 -0.13 0.00 0.01 0.00 0.00 55.36 54.67 2jx9 s GLN 125 Cb -0.14 -3.00 0.02 0.00 -1.01 0.00 0.00 33.01 28.89 2jx9 s GLN 125 CO -0.01 0.19 0.64 1.52 0.01 0.00 0.00 175.29 177.64 2jx9 s TYR 126 N 0.52 0.33 0.16 0.91 1.13 -0.14 -0.94 117.35 119.32 2jx9 s TYR 126 Ca -0.02 -0.80 0.04 0.00 -1.41 0.00 0.00 57.07 54.88 2jx9 s TYR 126 Cb -0.14 0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 41.15 2jx9 s TYR 126 CO 0.02 -1.29 -0.08 -0.51 -2.51 0.00 0.00 175.55 171.18 2jx9 s ASP 127 N -3.07 1.74 -0.22 -0.18 1.11 -1.05 -0.43 116.67 114.57 2jx9 s ASP 127 Ca 0.19 -1.05 -0.06 0.00 0.18 0.00 0.00 52.55 51.81 2jx9 s ASP 127 Cb -0.03 0.00 -0.02 0.00 1.07 0.00 0.00 42.92 43.94 2jx9 s ASP 127 CO 0.12 -0.38 0.01 0.00 1.18 0.00 0.00 175.17 176.11 2jx9 s VAL 129 N 1.26 2.29 0.47 0.00 -7.23 -0.95 -4.84 120.40 111.39 2jx9 s VAL 129 Ca 0.04 -2.11 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 2jx9 s VAL 129 Cb -0.15 -2.12 -0.07 0.00 0.56 0.00 0.00 36.38 34.60 2jx9 s VAL 129 CO 0.01 -0.22 1.37 -2.84 -0.31 0.00 0.00 175.10 173.11 2jx9 s PRO 130 N -2.91 3.59 0.46 4.82 0.02 -1.26 0.05 135.00 139.78 2jx9 s PRO 130 Ca 0.22 2.28 -0.15 0.00 0.02 0.00 0.00 61.00 63.37 2jx9 s PRO 130 Cb -0.07 -2.55 -0.08 0.00 0.02 0.00 0.00 34.50 31.82 2jx9 s PRO 130 CO 0.10 -0.84 0.90 -0.47 -0.33 0.00 0.00 177.00 176.37 2jx9 s TYR 131 N -1.26 3.44 -0.37 6.54 5.04 -1.18 -4.77 117.35 124.79 2jx9 s TYR 131 Ca 0.63 1.34 -0.21 0.00 -2.44 0.00 0.00 57.07 56.40 2jx9 s TYR 131 Cb -0.41 -2.68 0.01 0.00 0.35 0.00 0.00 41.96 39.23 2jx9 s TYR 131 CO 0.51 -0.24 0.66 0.21 -1.34 0.00 0.00 175.55 175.35 2jx9 s LYS 132 N -3.85 3.63 -0.17 4.97 2.36 -1.26 -5.04 119.74 120.38 2jx9 s LYS 132 Ca 0.57 0.03 -0.13 0.00 -2.55 0.00 0.00 55.97 53.88 2jx9 s LYS 132 Cb -0.10 -3.83 -0.05 0.00 -1.05 0.00 0.00 37.83 32.81 2jx9 s LYS 132 CO 0.29 -0.79 0.27 0.08 1.55 0.00 0.00 175.35 176.75 2jx9 s VAL 133 N 2.78 5.32 0.00 4.02 1.01 -1.26 -5.27 120.40 127.00 2jx9 s VAL 133 Ca 0.25 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2jx9 s VAL 133 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2jx9 s VAL 133 CO 0.16 0.39 0.00 -0.62 0.00 0.00 0.00 175.10 175.03