#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 2.64 0.00 0.99 0.05 -1.26 -5.12 118.68 115.98 2jx9 s LEU 30 Ca 0.00 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.07 2jx9 s LEU 30 Cb 0.00 -0.99 0.00 0.00 -2.05 0.00 0.00 46.19 43.15 2jx9 s LEU 30 CO 0.00 -0.11 0.00 -0.81 -0.55 0.00 0.00 176.35 174.88 2jx9 n PRO 31 N -0.67 0.00 0.12 1.48 -0.04 -1.26 -4.49 135.00 130.14 2jx9 n PRO 31 Ca -0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 2jx9 n PRO 31 Cb 0.62 -0.17 0.39 0.00 -0.04 0.00 0.00 33.50 34.30 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jx9 h PHE 32 N 0.00 0.00 0.00 0.54 -0.00 -2.00 -3.46 116.94 112.02 2jx9 h PHE 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2jx9 h PHE 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2jx9 h PHE 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.31 178.72 2jx9 n GLY 33 N 1.16 0.36 3.61 6.09 0.00 -1.26 -4.55 105.19 110.60 2jx9 n GLY 33 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -1.12 0.52 0.99 1.98 -1.26 -5.11 118.68 114.68 2jx9 s LEU 34 Ca 0.00 1.50 0.00 0.00 -2.89 0.00 0.00 54.13 52.74 2jx9 s LEU 34 Cb 0.00 2.26 0.00 0.00 0.66 0.00 0.00 46.19 49.11 2jx9 s LEU 34 CO 0.00 -0.21 0.00 0.23 -1.89 0.00 0.00 176.35 174.48 2jx9 n MET 35 N 5.42 -5.15 -3.23 1.98 2.81 -1.26 -4.92 117.12 112.76 2jx9 n MET 35 Ca -0.11 3.80 -0.31 0.00 -1.81 0.00 0.00 57.70 59.26 2jx9 n MET 35 Cb 0.49 -4.25 -0.05 0.00 -0.71 0.00 0.00 33.22 28.70 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 -3.10 3.84 -0.11 0.03 0.52 0.12 -4.89 118.95 115.35 2jx9 s ARG 36 Ca 0.00 0.39 -0.06 0.00 -0.52 0.00 0.00 55.73 55.54 2jx9 s ARG 36 Cb 0.00 -2.54 0.04 0.00 0.52 0.00 0.00 34.95 32.97 2jx9 s ARG 36 CO 0.00 0.20 0.26 0.50 0.02 0.00 0.00 175.30 176.28 2jx9 s ARG 37 N -3.13 0.23 0.03 3.54 3.52 -1.26 -1.24 118.95 120.65 2jx9 s ARG 37 Ca 0.50 0.53 0.05 0.00 -0.13 0.00 0.00 55.73 56.68 2jx9 s ARG 37 Cb -0.11 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2jx9 s ARG 37 CO 0.23 -0.15 -0.16 -1.21 -0.81 0.00 0.00 175.30 173.20 2jx9 s GLU 38 N 1.12 1.14 -0.01 5.12 0.41 -0.91 -5.00 118.70 120.57 2jx9 s GLU 38 Ca -0.08 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 2jx9 s GLU 38 Cb -0.09 -1.16 0.01 0.00 -1.78 0.00 0.00 34.13 31.11 2jx9 s GLU 38 CO -0.08 0.30 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.81 2jx9 s LEU 39 N -0.92 1.71 -0.01 1.80 0.20 -1.26 -1.40 118.68 118.81 2jx9 s LEU 39 Ca 0.04 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.86 2jx9 s LEU 39 Cb -0.07 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.56 2jx9 s LEU 39 CO 0.01 -0.02 -0.08 0.00 -0.29 0.00 0.00 176.35 175.97 2jx9 s ALA 40 N 0.32 0.63 0.31 5.97 0.00 -0.74 -4.99 121.76 123.26 2jx9 s ALA 40 Ca -0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2jx9 s ALA 40 Cb -0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 2jx9 s ALA 40 CO -0.01 0.15 1.38 0.00 0.00 0.00 0.00 175.76 177.29 2jx9 n GLU 42 N 1.30 0.78 0.00 0.00 2.13 -0.98 -1.18 120.64 122.68 2jx9 n GLU 42 Ca 0.03 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2jx9 n GLU 42 Cb 0.41 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.24 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 2.22 1.26 3.67 8.31 0.00 -0.95 -4.92 105.19 114.78 2jx9 n GLY 43 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.29 2.97 0.63 1.61 2.02 -0.33 -4.75 117.35 117.21 2jx9 s TYR 44 Ca 0.00 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.49 2jx9 s TYR 44 Cb 0.00 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 2jx9 s TYR 44 CO 0.00 0.47 1.23 -1.25 -1.57 0.00 0.00 175.55 174.42 2jx9 s PRO 45 N -2.20 2.73 0.01 -1.71 0.04 -1.26 -2.15 135.00 130.47 2jx9 s PRO 45 Ca 0.24 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.22 2jx9 s PRO 45 Cb -0.12 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2jx9 s PRO 45 CO 0.17 -1.40 -0.24 -1.50 0.04 0.00 0.00 177.00 174.06 2jx9 s ILE 46 N -1.63 1.95 -0.06 0.56 2.07 0.99 -4.84 121.20 120.24 2jx9 s ILE 46 Ca 0.78 -1.16 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 2jx9 s ILE 46 Cb -0.32 -1.64 0.01 0.00 0.13 0.00 0.00 42.46 40.64 2jx9 s ILE 46 CO 0.37 0.45 -0.10 -0.70 -1.91 0.00 0.00 174.94 173.04 2jx9 s GLU 47 N -0.85 1.47 -0.04 3.50 2.12 -1.26 -1.88 118.70 121.76 2jx9 s GLU 47 Ca 0.10 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.14 2jx9 s GLU 47 Cb -0.09 -1.25 -0.02 0.00 0.26 0.00 0.00 34.13 33.02 2jx9 s GLU 47 CO 0.00 0.01 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.04 2jx9 s LEU 48 N 0.69 2.49 -0.09 2.70 1.43 -0.92 -4.98 118.68 120.00 2jx9 s LEU 48 Ca -0.13 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2jx9 s LEU 48 Cb -0.15 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.62 2jx9 s LEU 48 CO 0.03 0.33 0.21 -0.13 0.23 0.00 0.00 176.35 177.02 2jx9 s ARG 49 N -0.62 0.21 0.00 1.70 0.52 -1.26 -2.11 118.95 117.39 2jx9 s ARG 49 Ca 0.09 0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 55.67 2jx9 s ARG 49 Cb -0.11 -0.00 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 2jx9 s ARG 49 CO 0.00 -0.09 0.17 0.00 0.02 0.00 0.00 175.30 175.40 2jx9 s PRO 51 N -1.99 2.21 3.70 0.00 0.04 -1.26 -4.70 135.00 133.00 2jx9 s PRO 51 Ca 0.28 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2jx9 s PRO 51 Cb -0.13 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2jx9 s PRO 51 CO 0.19 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2jx9 n GLY 52 N -1.24 3.16 0.38 0.56 0.00 -1.26 -1.52 105.19 105.27 2jx9 n GLY 52 Ca 0.09 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 5.01 1.94 -4.81 1.61 3.41 -1.26 -5.05 113.62 114.46 2jx9 n SER 53 Ca 0.00 -3.45 -0.29 0.00 -0.26 0.00 0.00 58.87 54.87 2jx9 n SER 53 Cb 0.00 -0.47 0.12 0.00 -0.26 0.00 0.00 64.21 63.60 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 -3.00 3.76 0.05 4.04 1.01 -0.58 -4.14 116.67 117.82 2jx9 s ASP 54 Ca 0.34 0.92 0.08 0.00 0.71 0.00 0.00 52.55 54.60 2jx9 s ASP 54 Cb 0.32 -1.48 -0.03 0.00 1.01 0.00 0.00 42.92 42.74 2jx9 s ASP 54 CO -0.03 -2.39 -0.21 0.68 0.21 0.00 0.00 175.17 173.43 2jx9 s VAL 55 N -3.35 1.71 0.26 -1.27 -7.23 0.29 -4.38 120.40 106.44 2jx9 s VAL 55 Ca 0.63 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 2jx9 s VAL 55 Cb -0.14 -1.49 -0.10 0.00 0.56 0.00 0.00 36.38 35.21 2jx9 s VAL 55 CO 0.52 0.20 1.31 -0.63 -0.31 0.00 0.00 175.10 176.19 2jx9 s ILE 56 N -0.83 2.97 -0.32 -0.62 1.01 0.39 -2.28 121.20 121.52 2jx9 s ILE 56 Ca 0.08 0.87 -0.00 0.00 0.00 0.00 0.00 60.65 61.60 2jx9 s ILE 56 Cb -0.09 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 38.92 2jx9 s ILE 56 CO 0.02 0.17 0.10 0.00 0.00 0.00 0.00 174.94 175.23 2jx9 s MET 57 N -0.92 0.79 0.06 2.79 0.23 0.02 -0.88 119.30 121.39 2jx9 s MET 57 Ca 0.53 -1.17 -0.30 0.00 -1.03 0.00 0.00 55.69 53.71 2jx9 s MET 57 Cb -0.38 -2.10 -0.08 0.00 -1.53 0.00 0.00 34.83 30.73 2jx9 s MET 57 CO 0.45 -0.99 1.76 0.08 -2.03 0.00 0.00 175.02 174.29 2jx9 s VAL 58 N 1.52 3.01 -0.26 5.16 1.01 -1.26 -2.36 120.40 127.21 2jx9 s VAL 58 Ca 0.10 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 2jx9 s VAL 58 Cb -0.18 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 2jx9 s VAL 58 CO -0.23 -0.01 -0.35 -0.62 0.00 0.00 0.00 175.10 173.89 2jx9 n GLU 59 N 6.26 0.57 -3.71 2.72 -0.58 -0.47 -4.97 120.64 120.47 2jx9 n GLU 59 Ca 0.17 0.25 -0.14 0.00 -0.42 0.00 0.00 57.16 57.02 2jx9 n GLU 59 Cb 0.40 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.73 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 -7.21 -0.30 -0.09 1.62 0.01 -0.95 -5.03 114.94 102.99 2jx9 s ASN 60 Ca -0.37 0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.76 2jx9 s ASN 60 Cb 0.13 0.41 0.11 0.00 0.41 0.00 0.00 41.25 42.31 2jx9 s ASN 60 CO 0.47 -0.45 0.92 0.00 -1.51 0.00 0.00 177.10 176.54 2jx9 s ALA 61 N -1.15 -1.87 -0.03 0.60 0.00 -1.26 -0.08 121.76 117.97 2jx9 s ALA 61 Ca -0.12 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 2jx9 s ALA 61 Cb -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.90 2jx9 s ALA 61 CO 0.05 -0.46 0.26 1.21 0.00 0.00 0.00 175.76 176.81 2jx9 s ASN 62 N -1.66 -0.15 -0.26 0.00 2.47 -0.67 -3.35 114.94 111.33 2jx9 s ASN 62 Ca 0.00 0.10 -0.02 0.00 0.42 0.00 0.00 52.86 53.35 2jx9 s ASN 62 Cb -0.01 0.33 0.02 0.00 -1.45 0.00 0.00 41.25 40.15 2jx9 s ASN 62 CO -0.02 -0.36 -0.04 -0.47 -3.72 0.00 0.00 177.10 172.49 2jx9 s TYR 63 N -1.06 3.09 -0.82 0.43 5.04 -1.26 -2.00 117.35 120.77 2jx9 s TYR 63 Ca -0.11 -1.48 0.00 0.00 -2.44 0.00 0.00 57.07 53.03 2jx9 s TYR 63 Cb -0.05 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.17 2jx9 s TYR 63 CO 0.03 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 173.94 2jx9 n GLY 64 N 4.69 -0.63 3.18 8.97 0.00 -0.11 -3.68 105.19 117.61 2jx9 n GLY 64 Ca -0.16 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.47 0.28 0.00 1.61 3.52 -1.01 0.38 118.95 122.27 2jx9 s ARG 65 Ca 0.00 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 2jx9 s ARG 65 Cb 0.00 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2jx9 s ARG 65 CO 0.00 -0.29 0.70 0.25 -0.81 0.00 0.00 175.30 175.15 2jx9 n THR 66 N 5.38 0.49 -4.12 4.11 -2.24 -1.26 -0.29 114.28 116.35 2jx9 n THR 66 Ca -0.08 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 61.01 2jx9 n THR 66 Cb 0.50 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.24 -0.36 0.00 3.42 2.03 -1.26 -4.78 116.55 115.36 2jx9 n ASP 67 Ca 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.25 2jx9 n ASP 67 Cb 0.25 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 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 -2.33 0.00 -1.03 1.67 5.68 -1.26 -4.55 116.55 114.72 2jx9 n ASP 68 Ca 0.04 -0.89 0.11 0.00 -0.50 0.00 0.00 54.79 53.54 2jx9 n ASP 68 Cb 0.29 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.45 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 2.33 -4.74 0.11 5.02 -1.26 -4.87 118.16 114.75 2jx9 n LYS 69 Ca 0.00 -2.12 -0.33 0.00 -2.02 0.00 0.00 58.31 53.84 2jx9 n LYS 69 Cb 0.22 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.52 3.29 -0.90 -0.18 -1.09 -1.26 -4.71 121.20 114.84 2jx9 s ILE 70 Ca 0.34 -0.61 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2jx9 s ILE 70 Cb 0.21 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 2jx9 s ILE 70 CO 0.29 0.56 0.81 0.00 -1.23 0.00 0.00 174.94 175.37 2jx9 n ASP 72 N -2.58 0.90 -0.70 0.00 5.68 -1.26 -4.86 116.55 113.72 2jx9 n ASP 72 Ca -0.04 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.77 2jx9 n ASP 72 Cb 0.57 -1.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jx9 n ALA 73 N 12.87 0.00 -1.78 2.12 0.00 -1.26 -5.06 120.51 127.40 2jx9 n ALA 73 Ca 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.57 2jx9 n ALA 73 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.25 6.36 0.32 0.00 -4.77 -1.26 -4.86 116.67 112.20 2jx9 s ASP 74 Ca 0.00 3.02 0.03 0.00 -3.30 0.00 0.00 52.55 52.31 2jx9 s ASP 74 Cb 0.00 -2.66 0.62 0.00 -1.09 0.00 0.00 42.92 39.79 2jx9 s ASP 74 CO 0.00 -0.87 1.91 1.55 0.70 0.00 0.00 175.17 178.45 2jx9 h PRO 75 N 3.35 0.89 -0.29 2.11 0.13 -1.97 -1.55 132.00 134.67 2jx9 h PRO 75 Ca -0.50 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 2jx9 h PRO 75 Cb 1.24 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2jx9 h PRO 75 CO 0.67 0.59 0.07 0.74 -0.23 0.00 0.00 178.00 179.84 2jx9 h PHE 76 N 0.91 0.41 -0.00 1.56 0.04 -1.97 0.15 116.94 118.04 2jx9 h PHE 76 Ca 0.39 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2jx9 h PHE 76 Cb 0.33 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.35 2jx9 h PHE 76 CO -0.00 0.37 -0.16 1.04 -0.60 0.00 0.00 178.31 178.96 2jx9 n GLN 77 N -4.38 0.49 0.00 1.51 6.02 -0.63 -3.43 117.38 116.96 2jx9 n GLN 77 Ca 0.01 -0.18 0.06 0.00 -0.01 0.00 0.00 57.00 56.88 2jx9 n GLN 77 Cb 0.17 -1.50 0.02 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 -1.10 1.52 -0.09 -1.09 2.81 -0.04 -0.57 117.12 118.56 2jx9 n MET 78 Ca 0.12 -0.85 -0.11 0.00 -1.81 0.00 0.00 57.70 55.05 2jx9 n MET 78 Cb 0.30 -1.16 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 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 1.65 0.44 -6.53 0.03 5.08 -0.83 -3.41 114.58 111.01 2jx9 h GLU 79 Ca 0.00 -0.11 -0.57 0.00 -1.00 0.00 0.00 59.36 57.68 2jx9 h GLU 79 Cb 0.43 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2jx9 h GLU 79 CO 0.00 0.54 0.90 1.21 -1.00 0.00 0.00 179.01 180.66 2jx9 s ASN 80 N -5.84 6.75 -0.39 1.42 2.47 -1.26 -4.89 114.94 113.21 2jx9 s ASN 80 Ca -0.14 0.75 0.06 0.00 0.42 0.00 0.00 52.86 53.95 2jx9 s ASN 80 Cb 0.08 -2.55 0.56 0.00 -1.45 0.00 0.00 41.25 37.89 2jx9 s ASN 80 CO 0.74 -1.10 1.67 1.33 -3.72 0.00 0.00 177.10 176.02 2jx9 n VAL 81 N 6.43 2.90 -3.47 -5.21 0.24 -1.26 -4.78 118.33 113.18 2jx9 n VAL 81 Ca 0.12 -2.54 -0.28 0.00 -2.04 0.00 0.00 64.34 59.60 2jx9 n VAL 81 Cb 0.48 -0.49 -0.11 0.00 -1.47 0.00 0.00 33.84 32.25 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 -3.34 0.87 -0.11 7.34 -1.52 -1.08 -4.08 119.66 117.74 2jx9 s GLN 82 Ca 0.51 -1.87 -0.05 0.00 -1.95 0.00 0.00 55.36 52.01 2jx9 s GLN 82 Cb 0.44 -1.53 0.05 0.00 -0.22 0.00 0.00 33.01 31.75 2jx9 s GLN 82 CO 0.04 -1.30 0.23 0.00 -0.25 0.00 0.00 175.29 174.01 2jx9 s TYR 84 N 1.73 0.95 -0.34 0.00 1.51 -1.26 -2.40 117.35 117.54 2jx9 s TYR 84 Ca -0.05 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.37 2jx9 s TYR 84 Cb -0.11 -0.54 0.15 0.00 -0.11 0.00 0.00 41.96 41.35 2jx9 s TYR 84 CO -0.08 -0.04 0.33 -1.17 -1.11 0.00 0.00 175.55 173.48 2jx9 s LEU 85 N -2.33 -0.02 0.18 -1.29 2.96 -1.24 -4.89 118.68 112.06 2jx9 s LEU 85 Ca 0.03 -1.36 -0.14 0.00 -0.22 0.00 0.00 54.13 52.44 2jx9 s LEU 85 Cb -0.03 0.44 0.17 0.00 0.50 0.00 0.00 46.19 47.27 2jx9 s LEU 85 CO -0.01 -0.31 1.69 -0.65 -1.32 0.00 0.00 176.35 175.76 2jx9 h PRO 86 N 7.47 0.13 0.00 0.98 0.11 -1.91 -2.21 132.00 136.58 2jx9 h PRO 86 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2jx9 h PRO 86 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jx9 h PRO 86 CO 0.25 0.09 0.11 -0.44 -0.21 0.00 0.00 178.00 177.80 2jx9 h ASP 87 N 0.14 0.00 -0.53 -2.05 3.32 -1.96 -1.80 116.42 113.53 2jx9 h ASP 87 Ca 0.24 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.40 2jx9 h ASP 87 Cb 0.34 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2jx9 h ASP 87 CO -0.37 0.00 0.37 0.00 -1.72 0.00 0.00 179.24 177.51 2jx9 h ALA 88 N 1.78 2.20 -0.48 3.45 0.00 -1.68 -1.00 119.26 123.53 2jx9 h ALA 88 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jx9 h ALA 88 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jx9 h ALA 88 CO 0.00 -0.34 0.17 0.35 0.00 0.00 0.00 179.25 179.43 2jx9 h PHE 89 N 0.22 0.76 -0.65 0.00 3.57 -1.32 -2.72 116.94 116.79 2jx9 h PHE 89 Ca 0.25 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2jx9 h PHE 89 Cb 0.69 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2jx9 h PHE 89 CO -0.00 0.65 0.09 1.57 -2.23 0.00 0.00 178.31 178.40 2jx9 h LYS 90 N 0.64 1.08 -0.00 1.11 2.10 -1.37 0.55 116.57 120.68 2jx9 h LYS 90 Ca 0.16 -0.29 0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2jx9 h LYS 90 Cb 0.24 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 2jx9 h LYS 90 CO -0.01 1.00 -0.07 0.82 -2.00 0.00 0.00 179.45 179.19 2jx9 h ILE 91 N 1.01 0.81 -0.11 0.07 2.04 -1.29 -0.50 117.51 119.54 2jx9 h ILE 91 Ca 0.20 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.93 2jx9 h ILE 91 Cb 0.45 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2jx9 h ILE 91 CO 0.01 0.00 -0.50 0.24 0.00 0.00 0.00 178.15 177.90 2jx9 h MET 92 N -0.13 0.30 -0.34 2.37 2.86 -1.40 -2.37 114.93 116.21 2jx9 h MET 92 Ca 0.03 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2jx9 h MET 92 Cb 0.16 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2jx9 h MET 92 CO -0.08 0.73 0.17 0.77 1.06 0.00 0.00 176.91 179.57 2jx9 h SER 93 N 0.24 0.26 -0.20 1.22 0.02 -0.39 0.73 113.55 115.42 2jx9 h SER 93 Ca 0.01 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2jx9 h SER 93 Cb 0.97 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2jx9 h SER 93 CO 0.08 0.19 -0.06 1.56 -1.14 0.00 0.00 176.83 177.46 2jx9 h GLN 94 N 0.36 0.53 0.06 3.45 4.20 -1.00 0.98 115.11 123.70 2jx9 h GLN 94 Ca 0.14 -0.13 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 2jx9 h GLN 94 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2jx9 h GLN 94 CO -0.10 0.60 -1.15 0.00 -0.67 0.00 0.00 178.83 177.51 2jx9 h ARG 95 N 0.50 0.13 0.00 1.46 3.08 -0.74 -3.39 114.38 115.42 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 0.42 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jx9 h ARG 95 CO 0.02 1.08 -1.42 0.00 -1.07 0.00 0.00 179.97 178.59 2jx9 n ASN 97 N -1.82 3.06 -0.48 0.00 4.13 0.33 -1.33 115.26 119.15 2jx9 n ASN 97 Ca -0.02 1.15 -0.06 0.00 1.68 0.00 0.00 54.58 57.33 2jx9 n ASN 97 Cb 0.24 -1.48 -0.03 0.00 -1.54 0.00 0.00 39.78 36.98 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 2.07 -5.19 -4.54 6.41 4.13 -0.06 -4.96 115.26 113.12 2jx9 n ASN 98 Ca 0.10 0.16 -0.32 0.00 1.68 0.00 0.00 54.58 56.20 2jx9 n ASN 98 Cb 0.33 -3.25 -0.11 0.00 -1.54 0.00 0.00 39.78 35.21 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 -2.26 2.38 0.29 3.52 0.52 -0.44 -4.78 118.95 118.18 2jx9 s ARG 99 Ca 0.00 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 2jx9 s ARG 99 Cb 0.00 -2.38 0.45 0.00 0.52 0.00 0.00 34.95 33.53 2jx9 s ARG 99 CO 0.00 0.58 1.71 1.15 0.02 0.00 0.00 175.30 178.76 2jx9 h THR 100 N 3.85 1.29 -3.35 0.02 2.02 -1.85 1.14 112.91 116.03 2jx9 h THR 100 Ca -0.48 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.23 2jx9 h THR 100 Cb 1.16 1.56 -0.14 0.00 -1.74 0.00 0.00 68.15 68.99 2jx9 h THR 100 CO 0.51 0.43 -0.11 0.00 0.37 0.00 0.00 175.52 176.72 2jx9 s GLN 101 N -4.28 1.01 -0.21 6.66 -2.07 -1.26 -0.51 119.66 119.00 2jx9 s GLN 101 Ca -0.05 -0.65 -0.16 0.00 -1.82 0.00 0.00 55.36 52.68 2jx9 s GLN 101 Cb 0.13 0.44 0.06 0.00 -1.09 0.00 0.00 33.01 32.56 2jx9 s GLN 101 CO 0.78 -0.38 0.55 0.00 -1.32 0.00 0.00 175.29 174.92 2jx9 s VAL 103 N 0.90 2.83 -0.02 0.00 1.01 -1.26 -2.16 120.40 121.70 2jx9 s VAL 103 Ca -0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2jx9 s VAL 103 Cb -0.05 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2jx9 s VAL 103 CO -0.08 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 174.97 2jx9 s VAL 104 N 0.44 0.05 -0.31 2.92 1.01 -0.79 -4.96 120.40 118.77 2jx9 s VAL 104 Ca -0.11 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 2jx9 s VAL 104 Cb -0.16 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2jx9 s VAL 104 CO 0.05 -0.24 1.12 -0.69 0.00 0.00 0.00 175.10 175.35 2jx9 s VAL 105 N -0.78 4.44 0.00 2.92 1.01 -1.26 -0.01 120.40 126.72 2jx9 s VAL 105 Ca -0.09 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 2jx9 s VAL 105 Cb -0.05 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2jx9 s VAL 105 CO 0.01 -0.46 1.27 0.00 0.00 0.00 0.00 175.10 175.91 2jx9 n ALA 106 N 6.98 3.02 0.00 5.51 0.00 -0.91 -4.59 120.51 130.52 2jx9 n ALA 106 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jx9 n ALA 106 Cb 0.47 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.93 -0.30 3.00 0.00 0.00 -1.26 -2.23 105.19 106.32 2jx9 n GLY 107 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2jx9 n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jx9 n SER 108 N 0.00 0.00 0.00 1.61 3.41 -1.26 -0.33 113.62 117.05 2jx9 n SER 108 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2jx9 n SER 108 Cb 0.00 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.31 2jx9 n SER 108 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jx9 n ASP 109 N -1.71 0.00 0.06 4.04 8.00 -1.26 -2.09 116.55 123.59 2jx9 n ASP 109 Ca 0.00 -0.57 0.13 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 -0.90 2.73 -3.73 2.24 0.00 -0.70 -4.77 120.51 115.39 2jx9 n ALA 110 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 2jx9 n ALA 110 Cb 0.04 -1.29 -0.16 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.03 0.00 0.00 0.08 0.55 -4.92 117.98 110.56 2jx9 s PHE 111 Ca 0.09 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2jx9 s PHE 111 Cb 0.14 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.33 2jx9 s PHE 111 CO 0.66 -0.15 0.00 -2.30 -0.10 0.00 0.00 175.22 173.33 2jx9 n PRO 112 N 4.57 2.84 -3.40 0.24 -0.02 -1.26 -4.63 135.00 133.34 2jx9 n PRO 112 Ca -0.19 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.07 2jx9 n PRO 112 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.89 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 1.88 0.00 2.55 -1.08 -1.26 -4.97 116.67 111.36 2jx9 s ASP 113 Ca 0.00 -1.80 0.29 0.00 -0.52 0.00 0.00 52.55 50.53 2jx9 s ASP 113 Cb 0.00 0.19 1.29 0.00 -1.46 0.00 0.00 42.92 42.94 2jx9 s ASP 113 CO 0.00 -0.28 1.94 -0.81 0.52 0.00 0.00 175.17 176.54 2jx9 n PRO 114 N 4.19 0.14 -2.71 4.34 -0.04 -1.26 -4.58 135.00 135.08 2jx9 n PRO 114 Ca 0.11 -0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2jx9 n PRO 114 Cb 0.42 -1.50 0.03 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 s PRO 116 N 1.05 2.30 0.00 0.00 0.04 -1.26 -3.48 135.00 133.64 2jx9 s PRO 116 Ca 0.24 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2jx9 s PRO 116 Cb 0.09 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2jx9 s PRO 116 CO -0.10 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.74 2jx9 n GLY 117 N -1.01 1.35 3.26 0.56 0.00 -1.26 -5.02 105.19 103.07 2jx9 n GLY 117 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.99 1.64 -0.27 2.61 2.01 -1.23 -4.51 115.64 112.91 2jx9 s THR 118 Ca 0.00 -1.38 -0.24 0.00 0.31 0.00 0.00 61.69 60.38 2jx9 s THR 118 Cb 0.00 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 2jx9 s THR 118 CO 0.00 0.04 0.81 -0.47 -0.69 0.00 0.00 174.62 174.30 2jx9 s TYR 119 N -1.01 3.26 0.00 4.92 6.14 0.27 -5.02 117.35 125.90 2jx9 s TYR 119 Ca 0.06 0.98 0.00 0.00 0.64 0.00 0.00 57.07 58.75 2jx9 s TYR 119 Cb -0.09 -3.13 0.00 0.00 0.42 0.00 0.00 41.96 39.16 2jx9 s TYR 119 CO 0.03 -0.48 0.00 1.63 0.64 0.00 0.00 175.55 177.37 2jx9 n LYS 120 N 6.10 2.90 -3.86 4.97 5.02 -1.26 -4.80 118.16 127.23 2jx9 n LYS 120 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 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 1.75 0.01 -0.06 2.13 -0.85 0.16 -2.33 117.35 118.16 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 -0.38 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.43 2jx9 s LEU 122 N -3.49 1.19 -0.09 -3.49 2.96 -0.75 -0.94 118.68 114.07 2jx9 s LEU 122 Ca 0.24 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 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 -0.08 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.01 2jx9 s GLU 123 N 1.18 2.87 -0.07 1.98 -6.30 -0.85 -1.80 118.70 115.71 2jx9 s GLU 123 Ca -0.07 -0.84 -0.00 0.00 -2.50 0.00 0.00 54.97 51.56 2jx9 s GLU 123 Cb -0.14 -2.21 0.02 0.00 0.00 0.00 0.00 34.13 31.81 2jx9 s GLU 123 CO -0.01 0.19 -0.04 0.08 0.02 0.00 0.00 175.26 175.50 2jx9 s VAL 124 N 0.30 0.63 -0.20 3.70 1.01 -0.49 -1.66 120.40 123.69 2jx9 s VAL 124 Ca -0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2jx9 s VAL 124 Cb -0.17 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2jx9 s VAL 124 CO 0.08 0.28 0.02 -1.10 0.00 0.00 0.00 175.10 174.38 2jx9 s GLN 125 N 1.52 3.71 0.26 2.72 -0.21 0.88 -2.13 119.66 126.42 2jx9 s GLN 125 Ca -0.01 -0.47 -0.16 0.00 0.02 0.00 0.00 55.36 54.74 2jx9 s GLN 125 Cb -0.13 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.75 2jx9 s GLN 125 CO -0.04 0.07 0.56 1.52 -2.12 0.00 0.00 175.29 175.28 2jx9 s TYR 126 N 0.88 0.17 0.22 0.91 1.13 -0.37 -1.36 117.35 118.94 2jx9 s TYR 126 Ca 0.02 -0.57 0.07 0.00 -1.41 0.00 0.00 57.07 55.18 2jx9 s TYR 126 Cb -0.14 0.37 -0.05 0.00 -1.10 0.00 0.00 41.96 41.04 2jx9 s TYR 126 CO 0.02 -1.08 -0.11 -0.51 -2.51 0.00 0.00 175.55 171.36 2jx9 s ASP 127 N -2.99 2.52 -0.26 -0.18 1.01 -0.99 0.12 116.67 115.90 2jx9 s ASP 127 Ca 0.19 -1.08 -0.04 0.00 0.71 0.00 0.00 52.55 52.33 2jx9 s ASP 127 Cb -0.03 -0.13 0.01 0.00 1.01 0.00 0.00 42.92 43.79 2jx9 s ASP 127 CO 0.08 -0.25 0.00 0.00 0.21 0.00 0.00 175.17 175.22 2jx9 s VAL 129 N 1.42 2.77 0.56 0.00 -7.23 -0.97 -4.82 120.40 112.14 2jx9 s VAL 129 Ca 0.02 -2.18 -0.21 0.00 -1.81 0.00 0.00 61.98 57.79 2jx9 s VAL 129 Cb -0.16 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2jx9 s VAL 129 CO -0.01 -0.34 1.36 -2.84 -0.31 0.00 0.00 175.10 172.95 2jx9 s PRO 130 N -3.41 3.06 0.12 4.82 0.02 -1.26 -0.55 135.00 137.80 2jx9 s PRO 130 Ca 0.29 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 2jx9 s PRO 130 Cb -0.06 -2.21 -0.06 0.00 0.02 0.00 0.00 34.50 32.19 2jx9 s PRO 130 CO 0.16 -1.25 0.98 -0.47 -0.33 0.00 0.00 177.00 176.09 2jx9 s TYR 131 N -1.31 3.78 -0.09 6.54 5.04 -1.26 -4.77 117.35 125.28 2jx9 s TYR 131 Ca 0.73 1.77 -0.13 0.00 -2.44 0.00 0.00 57.07 57.00 2jx9 s TYR 131 Cb -0.40 -3.09 -0.05 0.00 0.35 0.00 0.00 41.96 38.77 2jx9 s TYR 131 CO 0.47 0.08 0.31 0.21 -1.34 0.00 0.00 175.55 175.28 2jx9 s LYS 132 N -0.03 3.95 -0.20 4.97 2.20 -1.26 -5.08 119.74 124.28 2jx9 s LYS 132 Ca 0.47 0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 56.18 2jx9 s LYS 132 Cb -0.24 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2jx9 s LYS 132 CO 0.30 0.53 0.08 0.54 -0.36 0.00 0.00 175.35 176.44 2jx9 s VAL 133 N -0.45 4.81 0.00 4.02 0.11 -1.26 -5.26 120.40 122.38 2jx9 s VAL 133 Ca 0.19 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2jx9 s VAL 133 Cb -0.14 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 2jx9 s VAL 133 CO 0.08 0.42 0.00 -0.62 -3.33 0.00 0.00 175.10 171.65