#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa h LEU 30 N 0.00 0.61 0.00 0.99 3.38 -2.08 -3.43 115.31 114.78 2jxa h LEU 30 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jxa h LEU 30 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2jxa h LEU 30 CO 0.00 0.36 0.00 -0.81 0.09 0.00 0.00 178.44 178.08 2jxa n PRO 31 N -4.51 1.83 0.00 1.13 -0.05 -1.26 -4.93 135.00 127.21 2jxa n PRO 31 Ca 0.14 0.00 0.14 0.00 -0.05 0.00 0.00 63.50 63.73 2jxa n PRO 31 Cb 0.36 0.00 0.68 0.00 -0.05 0.00 0.00 33.50 34.49 2jxa n PRO 31 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 2jxa n PHE 32 N 0.00 0.00 -1.47 0.54 3.72 -1.26 -4.89 117.46 114.10 2jxa n PHE 32 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 2jxa n PHE 32 Cb 0.00 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.09 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jxa n GLY 33 N 1.31 1.61 3.64 1.37 0.00 -1.26 -4.94 105.19 106.92 2jxa n GLY 33 Ca 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 2jxa n GLY 33 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jxa s LEU 34 N -3.65 -0.65 0.07 0.99 0.05 -1.26 -5.11 118.68 109.13 2jxa s LEU 34 Ca 0.00 1.03 0.00 0.00 0.05 0.00 0.00 54.13 55.21 2jxa s LEU 34 Cb 0.00 1.94 0.00 0.00 -2.05 0.00 0.00 46.19 46.08 2jxa s LEU 34 CO 0.00 -0.16 0.00 0.23 -0.55 0.00 0.00 176.35 175.87 2jxa n MET 35 N 3.93 -2.29 -3.47 1.48 2.81 -1.26 -4.95 117.12 113.36 2jxa n MET 35 Ca -0.19 1.62 -0.29 0.00 -1.81 0.00 0.00 57.70 57.03 2jxa n MET 35 Cb 0.58 -2.11 -0.04 0.00 -0.71 0.00 0.00 33.22 30.94 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jxa s ARG 36 N -0.22 3.64 -0.18 0.03 0.52 0.11 -4.93 118.95 117.92 2jxa s ARG 36 Ca 0.00 -0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 2jxa s ARG 36 Cb 0.00 -2.72 0.05 0.00 0.52 0.00 0.00 34.95 32.80 2jxa s ARG 36 CO 0.00 0.31 0.47 0.50 0.02 0.00 0.00 175.30 176.60 2jxa s ARG 37 N -3.23 0.53 0.06 3.54 3.52 -1.26 -0.74 118.95 121.38 2jxa s ARG 37 Ca 0.43 0.69 0.05 0.00 -0.13 0.00 0.00 55.73 56.77 2jxa s ARG 37 Cb -0.11 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.48 2jxa s ARG 37 CO 0.27 -0.08 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.34 2jxa s GLU 38 N 0.44 0.80 -0.01 5.12 2.02 -0.89 -5.01 118.70 121.18 2jxa s GLU 38 Ca -0.02 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.08 2jxa s GLU 38 Cb -0.04 -0.78 -0.00 0.00 0.10 0.00 0.00 34.13 33.40 2jxa s GLU 38 CO -0.02 0.17 -0.05 -1.17 0.02 0.00 0.00 175.26 174.22 2jxa s LEU 39 N -1.65 1.98 -0.02 1.80 0.20 -1.26 -1.63 118.68 118.09 2jxa s LEU 39 Ca -0.02 -0.09 -0.05 0.00 0.69 0.00 0.00 54.13 54.65 2jxa s LEU 39 Cb -0.10 -0.25 0.01 0.00 -0.43 0.00 0.00 46.19 45.41 2jxa s LEU 39 CO 0.02 0.05 0.12 0.00 -0.29 0.00 0.00 176.35 176.26 2jxa s ALA 40 N -0.07 -0.30 0.17 5.97 0.00 -0.82 -4.98 121.76 121.74 2jxa s ALA 40 Ca 0.01 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2jxa s ALA 40 Cb -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 2jxa s ALA 40 CO -0.00 -0.14 1.26 0.00 0.00 0.00 0.00 175.76 176.88 2jxa n GLU 42 N 2.87 0.58 -0.09 0.00 2.13 -1.09 -2.18 120.64 122.87 2jxa n GLU 42 Ca 0.06 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2jxa n GLU 42 Cb 0.44 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2jxa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jxa n GLY 43 N 1.77 0.80 3.50 8.31 0.00 -0.80 -4.92 105.19 113.86 2jxa n GLY 43 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2jxa n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxa s TYR 44 N -2.38 2.49 0.34 1.61 1.51 -0.93 -4.77 117.35 115.23 2jxa s TYR 44 Ca 0.00 -0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 55.50 2jxa s TYR 44 Cb 0.00 -1.23 -0.09 0.00 -0.11 0.00 0.00 41.96 40.52 2jxa s TYR 44 CO 0.00 0.49 1.18 -1.25 -1.11 0.00 0.00 175.55 174.86 2jxa s PRO 45 N -2.68 4.33 0.03 -1.71 0.04 -1.26 -0.19 135.00 133.56 2jxa s PRO 45 Ca 0.22 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.24 2jxa s PRO 45 Cb -0.09 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2jxa s PRO 45 CO 0.12 -0.10 -0.18 -1.50 0.04 0.00 0.00 177.00 175.38 2jxa s ILE 46 N -1.27 2.75 -0.07 0.56 2.07 0.14 -4.87 121.20 120.51 2jxa s ILE 46 Ca 0.51 -1.15 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2jxa s ILE 46 Cb -0.33 -2.14 0.02 0.00 0.13 0.00 0.00 42.46 40.14 2jxa s ILE 46 CO 0.42 0.37 -0.10 -0.70 -1.91 0.00 0.00 174.94 173.03 2jxa s GLU 47 N -1.32 1.50 0.01 3.50 2.12 -1.26 -1.61 118.70 121.64 2jxa s GLU 47 Ca 0.14 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.19 2jxa s GLU 47 Cb -0.10 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 2jxa s GLU 47 CO 0.04 -0.06 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.12 2jxa s LEU 48 N 0.94 3.12 -0.13 2.70 1.43 -0.66 -4.97 118.68 121.12 2jxa s LEU 48 Ca -0.10 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2jxa s LEU 48 Cb -0.15 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2jxa s LEU 48 CO 0.00 0.27 0.29 -0.13 0.23 0.00 0.00 176.35 177.02 2jxa s ARG 49 N -1.48 0.23 0.05 1.70 0.52 -1.26 -1.98 118.95 116.72 2jxa s ARG 49 Ca 0.17 0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 55.97 2jxa s ARG 49 Cb -0.11 -0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.26 2jxa s ARG 49 CO 0.08 -0.20 0.35 0.00 0.02 0.00 0.00 175.30 175.55 2jxa s PRO 51 N -1.79 2.40 3.70 0.00 0.04 -1.26 -4.72 135.00 133.37 2jxa s PRO 51 Ca 0.30 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2jxa s PRO 51 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2jxa s PRO 51 CO 0.17 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.07 2jxa n GLY 52 N -0.68 2.68 1.60 0.56 0.00 -1.26 -1.87 105.19 106.22 2jxa n GLY 52 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jxa n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxa n SER 53 N 1.50 4.47 -4.85 1.61 3.41 -1.26 -4.99 113.62 113.51 2jxa n SER 53 Ca 0.00 -3.19 -0.29 0.00 -0.26 0.00 0.00 58.87 55.13 2jxa n SER 53 Cb 0.00 -0.67 0.09 0.00 -0.26 0.00 0.00 64.21 63.37 2jxa n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jxa s ASP 54 N -1.41 4.46 0.05 4.04 1.01 -0.78 -3.94 116.67 120.08 2jxa s ASP 54 Ca 0.51 1.02 0.06 0.00 0.71 0.00 0.00 52.55 54.85 2jxa s ASP 54 Cb 0.41 -1.65 -0.02 0.00 1.01 0.00 0.00 42.92 42.67 2jxa s ASP 54 CO 0.11 -1.96 -0.18 0.68 0.21 0.00 0.00 175.17 174.03 2jxa s VAL 55 N -3.36 1.45 0.25 -1.27 -7.23 0.72 -4.41 120.40 106.54 2jxa s VAL 55 Ca 0.61 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 2jxa s VAL 55 Cb -0.13 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.44 2jxa s VAL 55 CO 0.52 0.10 1.34 -0.63 -0.31 0.00 0.00 175.10 176.12 2jxa s ILE 56 N -0.85 2.94 -0.30 -0.62 1.01 0.38 -2.07 121.20 121.69 2jxa s ILE 56 Ca 0.05 0.82 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 2jxa s ILE 56 Cb -0.09 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.96 2jxa s ILE 56 CO 0.02 0.15 0.09 0.00 0.00 0.00 0.00 174.94 175.20 2jxa s MET 57 N -0.66 0.69 0.07 2.79 0.23 0.01 -1.44 119.30 120.98 2jxa s MET 57 Ca 0.55 -1.00 -0.31 0.00 -1.03 0.00 0.00 55.69 53.91 2jxa s MET 57 Cb -0.39 -1.95 -0.08 0.00 -1.53 0.00 0.00 34.83 30.88 2jxa s MET 57 CO 0.43 -0.96 1.68 0.08 -2.03 0.00 0.00 175.02 174.23 2jxa s VAL 58 N 1.66 2.99 -0.25 5.16 1.01 -1.26 -2.21 120.40 127.50 2jxa s VAL 58 Ca 0.09 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 2jxa s VAL 58 Cb -0.17 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 2jxa s VAL 58 CO -0.25 -0.00 -0.32 -0.62 0.00 0.00 0.00 175.10 173.91 2jxa n GLU 59 N 5.71 0.53 -3.78 2.72 1.02 -0.37 -4.96 120.64 121.51 2jxa n GLU 59 Ca 0.16 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 2jxa n GLU 59 Cb 0.40 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jxa s ASN 60 N -7.17 -0.19 -0.07 1.62 0.01 -1.03 -5.03 114.94 103.08 2jxa s ASN 60 Ca -0.34 0.21 -0.29 0.00 -0.71 0.00 0.00 52.86 51.72 2jxa s ASN 60 Cb 0.13 0.39 0.10 0.00 0.41 0.00 0.00 41.25 42.29 2jxa s ASN 60 CO 0.44 -0.31 0.87 0.00 -1.51 0.00 0.00 177.10 176.58 2jxa s ALA 61 N -0.82 -1.84 0.04 0.60 0.00 -1.26 -0.14 121.76 118.34 2jxa s ALA 61 Ca -0.09 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 2jxa s ALA 61 Cb -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.01 2jxa s ALA 61 CO 0.02 -0.47 0.36 1.21 0.00 0.00 0.00 175.76 176.88 2jxa s ASN 62 N -1.67 -0.21 -0.14 0.00 2.47 -0.40 -3.61 114.94 111.38 2jxa s ASN 62 Ca -0.01 -0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.22 2jxa s ASN 62 Cb -0.01 0.39 0.02 0.00 -1.45 0.00 0.00 41.25 40.20 2jxa s ASN 62 CO -0.01 -0.62 -0.16 -0.47 -3.72 0.00 0.00 177.10 172.12 2jxa s TYR 63 N -2.35 2.24 0.00 0.43 6.14 -1.26 -1.49 117.35 121.06 2jxa s TYR 63 Ca -0.06 -1.18 0.00 0.00 0.64 0.00 0.00 57.07 56.47 2jxa s TYR 63 Cb -0.01 -1.60 0.00 0.00 0.42 0.00 0.00 41.96 40.76 2jxa s TYR 63 CO -0.02 -0.60 0.00 0.41 0.64 0.00 0.00 175.55 175.98 2jxa n GLY 64 N 4.43 -0.37 3.26 8.97 0.00 -0.33 -3.09 105.19 118.06 2jxa n GLY 64 Ca -0.19 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 2jxa n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxa s ARG 65 N -1.78 0.45 0.00 1.61 3.52 -0.81 0.70 118.95 122.63 2jxa s ARG 65 Ca 0.00 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 2jxa s ARG 65 Cb 0.00 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2jxa s ARG 65 CO 0.00 -0.41 0.76 0.25 -0.81 0.00 0.00 175.30 175.10 2jxa n THR 66 N 5.41 0.58 -3.84 4.11 -2.24 -1.26 -0.53 114.28 116.51 2jxa n THR 66 Ca -0.07 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 2jxa n THR 66 Cb 0.50 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 2jxa n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jxa s ASP 67 N -0.58 0.03 0.00 3.42 2.15 -1.26 -4.80 116.67 115.63 2jxa s ASP 67 Ca 0.00 -0.39 0.12 0.00 0.43 0.00 0.00 52.55 52.71 2jxa s ASP 67 Cb 0.00 0.30 0.11 0.00 -0.30 0.00 0.00 42.92 43.03 2jxa s ASP 67 CO 0.00 -0.58 0.90 -0.90 -0.17 0.00 0.00 175.17 174.42 2jxa n ASP 68 N 0.58 2.05 -0.95 -0.34 5.68 -1.26 -4.45 116.55 117.87 2jxa n ASP 68 Ca -0.18 -1.53 0.09 0.00 -0.50 0.00 0.00 54.79 52.67 2jxa n ASP 68 Cb 0.59 -0.02 0.22 0.00 -1.14 0.00 0.00 41.12 40.77 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jxa n LYS 69 N 0.66 2.64 -4.82 0.11 5.02 -1.26 -4.91 118.16 115.61 2jxa n LYS 69 Ca 0.07 -2.25 -0.33 0.00 -2.02 0.00 0.00 58.31 53.78 2jxa n LYS 69 Cb 0.30 -1.40 -0.13 0.00 -0.02 0.00 0.00 35.03 33.78 2jxa n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jxa s ILE 70 N -1.05 3.13 -0.94 -0.18 -1.09 -1.26 -4.70 121.20 115.11 2jxa s ILE 70 Ca 0.34 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 58.05 2jxa s ILE 70 Cb 0.18 -2.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 2jxa s ILE 70 CO 0.24 0.57 0.84 0.00 -1.23 0.00 0.00 174.94 175.35 2jxa n ASP 72 N -2.69 1.72 -0.76 0.00 2.03 -1.26 -4.90 116.55 110.69 2jxa n ASP 72 Ca -0.04 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2jxa n ASP 72 Cb 0.58 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jxa n ALA 73 N 9.38 0.00 -1.76 -1.67 0.00 -1.26 -5.11 120.51 120.08 2jxa n ALA 73 Ca 0.45 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.51 2jxa n ALA 73 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 2jxa n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jxa s ASP 74 N 0.04 5.75 0.34 0.00 1.47 -1.26 -4.82 116.67 118.19 2jxa s ASP 74 Ca 0.00 2.72 0.07 0.00 1.18 0.00 0.00 52.55 56.52 2jxa s ASP 74 Cb 0.00 -2.64 0.75 0.00 -0.34 0.00 0.00 42.92 40.69 2jxa s ASP 74 CO 0.00 -1.24 1.88 1.55 0.68 0.00 0.00 175.17 178.03 2jxa h PRO 75 N 2.00 0.75 -0.34 2.11 0.13 -1.99 -0.83 132.00 133.82 2jxa h PRO 75 Ca -0.50 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 2jxa h PRO 75 Cb 1.27 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2jxa h PRO 75 CO 0.60 0.49 0.01 0.74 -0.23 0.00 0.00 178.00 179.61 2jxa h PHE 76 N 0.77 0.54 0.00 1.56 0.04 -1.97 0.17 116.94 118.06 2jxa h PHE 76 Ca 0.44 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2jxa h PHE 76 Cb 0.60 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2jxa h PHE 76 CO -0.00 0.53 -0.37 1.04 -0.60 0.00 0.00 178.31 178.91 2jxa n GLN 77 N -4.28 0.04 0.00 1.51 6.02 -0.48 -3.54 117.38 116.65 2jxa n GLN 77 Ca 0.02 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.12 2jxa n GLN 77 Cb 0.24 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 2jxa n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jxa n MET 78 N -1.60 1.31 0.12 -1.09 2.81 -0.44 -1.87 117.12 116.37 2jxa n MET 78 Ca 0.06 -0.80 -0.14 0.00 -1.81 0.00 0.00 57.70 55.01 2jxa n MET 78 Cb 0.35 -1.40 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 2jxa n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jxa h GLU 79 N 1.89 -0.28 -6.36 0.03 4.39 -0.75 -3.42 114.58 110.08 2jxa h GLU 79 Ca 0.00 0.02 -0.57 0.00 0.34 0.00 0.00 59.36 59.15 2jxa h GLU 79 Cb 0.65 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 2jxa h GLU 79 CO 0.00 -0.04 0.89 1.21 -1.16 0.00 0.00 179.01 179.91 2jxa s ASN 80 N -5.11 6.84 -0.40 1.42 2.47 -1.26 -4.88 114.94 114.01 2jxa s ASN 80 Ca -0.15 1.04 0.05 0.00 0.42 0.00 0.00 52.86 54.23 2jxa s ASN 80 Cb 0.04 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.84 2jxa s ASN 80 CO 0.62 -0.97 1.68 1.33 -3.72 0.00 0.00 177.10 176.04 2jxa n VAL 81 N 6.05 2.94 -3.43 -5.21 0.24 -1.26 -4.75 118.33 112.90 2jxa n VAL 81 Ca 0.13 -2.62 -0.28 0.00 -2.04 0.00 0.00 64.34 59.52 2jxa n VAL 81 Cb 0.47 -0.56 -0.11 0.00 -1.47 0.00 0.00 33.84 32.17 2jxa n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jxa s GLN 82 N -3.39 0.71 -0.15 7.34 -1.52 -0.76 -4.05 119.66 117.84 2jxa s GLN 82 Ca 0.52 -1.68 -0.05 0.00 -1.95 0.00 0.00 55.36 52.21 2jxa s GLN 82 Cb 0.45 -1.35 0.08 0.00 -0.22 0.00 0.00 33.01 31.96 2jxa s GLN 82 CO 0.04 -1.29 0.30 0.00 -0.25 0.00 0.00 175.29 174.09 2jxa s TYR 84 N 2.46 1.74 -0.42 0.00 1.51 -1.26 -1.92 117.35 119.45 2jxa s TYR 84 Ca 0.02 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 2jxa s TYR 84 Cb -0.12 -0.91 0.17 0.00 -0.11 0.00 0.00 41.96 40.99 2jxa s TYR 84 CO -0.10 0.25 0.44 -1.17 -1.11 0.00 0.00 175.55 173.86 2jxa s LEU 85 N -2.30 0.26 0.25 -1.29 2.96 -1.18 -4.94 118.68 112.43 2jxa s LEU 85 Ca 0.11 -2.26 -0.06 0.00 -0.22 0.00 0.00 54.13 51.70 2jxa s LEU 85 Cb -0.08 0.42 0.46 0.00 0.50 0.00 0.00 46.19 47.50 2jxa s LEU 85 CO 0.05 -0.18 1.64 -0.65 -1.32 0.00 0.00 176.35 175.90 2jxa h PRO 86 N 5.99 0.12 -0.22 0.98 0.11 -1.90 0.68 132.00 137.77 2jxa h PRO 86 Ca 0.14 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.31 2jxa h PRO 86 Cb 1.01 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2jxa h PRO 86 CO 0.23 0.08 0.34 -0.44 -0.21 0.00 0.00 178.00 178.00 2jxa h ASP 87 N 0.13 0.00 -0.67 -2.05 3.32 -1.95 0.07 116.42 115.27 2jxa h ASP 87 Ca 0.42 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.63 2jxa h ASP 87 Cb 0.75 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 2jxa h ASP 87 CO -0.65 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 177.33 2jxa h ALA 88 N 1.52 2.30 -0.54 3.45 0.00 -1.15 -0.42 119.26 124.42 2jxa h ALA 88 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jxa h ALA 88 Cb 0.79 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jxa h ALA 88 CO -0.00 -0.48 0.17 0.35 0.00 0.00 0.00 179.25 179.28 2jxa h PHE 89 N 0.23 0.87 -0.64 0.00 3.57 -1.03 -2.58 116.94 117.36 2jxa h PHE 89 Ca 0.32 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2jxa h PHE 89 Cb 0.94 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2jxa h PHE 89 CO -0.00 0.74 0.17 1.57 -2.23 0.00 0.00 178.31 178.56 2jxa h LYS 90 N 0.75 0.98 0.22 1.11 2.10 -1.23 0.10 116.57 120.60 2jxa h LYS 90 Ca 0.17 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2jxa h LYS 90 Cb 0.28 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2jxa h LYS 90 CO -0.01 0.86 -0.10 0.82 -2.00 0.00 0.00 179.45 179.02 2jxa h ILE 91 N 0.94 0.81 -0.29 0.07 2.04 -1.26 -1.01 117.51 118.81 2jxa h ILE 91 Ca 0.21 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.85 2jxa h ILE 91 Cb 0.31 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2jxa h ILE 91 CO -0.00 0.02 -0.31 0.24 0.00 0.00 0.00 178.15 178.10 2jxa h MET 92 N -0.34 0.62 -0.27 2.37 2.86 -1.34 -1.83 114.93 117.01 2jxa h MET 92 Ca -0.03 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2jxa h MET 92 Cb 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2jxa h MET 92 CO 0.05 0.86 0.17 0.77 1.06 0.00 0.00 176.91 179.82 2jxa h SER 93 N 0.53 0.31 -0.30 1.22 0.02 -0.64 0.37 113.55 115.06 2jxa h SER 93 Ca 0.06 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2jxa h SER 93 Cb 0.80 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2jxa h SER 93 CO 0.07 0.25 -0.13 1.56 -1.14 0.00 0.00 176.83 177.44 2jxa h GLN 94 N 0.35 0.73 0.02 3.45 4.20 -1.10 0.37 115.11 123.14 2jxa h GLN 94 Ca 0.10 -0.25 -0.21 0.00 0.06 0.00 0.00 58.65 58.35 2jxa h GLN 94 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jxa h GLN 94 CO -0.02 0.83 -0.94 0.00 -0.67 0.00 0.00 178.83 178.03 2jxa h ARG 95 N 0.66 0.19 0.00 1.46 3.08 -0.93 -3.37 114.38 115.48 2jxa h ARG 95 Ca 0.11 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jxa h ARG 95 Cb 0.60 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2jxa h ARG 95 CO 0.04 1.00 -0.96 0.00 -1.07 0.00 0.00 179.97 178.97 2jxa s ASN 97 N -2.52 6.35 -0.54 0.00 -0.87 0.13 -1.81 114.94 115.68 2jxa s ASN 97 Ca -0.00 2.96 0.00 0.00 -1.57 0.00 0.00 52.86 54.25 2jxa s ASN 97 Cb 0.07 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2jxa s ASN 97 CO 0.39 -0.95 0.00 0.59 -2.57 0.00 0.00 177.10 174.56 2jxa n ASN 98 N 2.54 -4.93 -4.48 -1.22 4.13 -0.52 -4.97 115.26 105.81 2jxa n ASN 98 Ca 0.10 0.13 -0.30 0.00 1.68 0.00 0.00 54.58 56.18 2jxa n ASN 98 Cb 0.37 -2.88 -0.12 0.00 -1.54 0.00 0.00 39.78 35.61 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jxa s ARG 99 N -2.02 1.96 0.25 3.52 0.52 -0.75 -4.81 118.95 117.62 2jxa s ARG 99 Ca 0.00 -1.06 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 2jxa s ARG 99 Cb 0.00 -2.17 0.27 0.00 0.52 0.00 0.00 34.95 33.58 2jxa s ARG 99 CO 0.00 0.51 1.57 1.15 0.02 0.00 0.00 175.30 178.55 2jxa h THR 100 N 3.75 1.42 -3.08 0.02 2.02 -1.85 1.09 112.91 116.27 2jxa h THR 100 Ca -0.49 -2.11 -0.08 0.00 0.77 0.00 0.00 66.41 64.51 2jxa h THR 100 Cb 1.16 2.11 -0.17 0.00 -1.74 0.00 0.00 68.15 69.51 2jxa h THR 100 CO 0.47 0.61 -0.14 0.00 0.37 0.00 0.00 175.52 176.84 2jxa s GLN 101 N -3.64 0.89 -0.21 6.66 1.03 -1.26 0.20 119.66 123.34 2jxa s GLN 101 Ca -0.03 -0.39 -0.17 0.00 0.04 0.00 0.00 55.36 54.82 2jxa s GLN 101 Cb 0.12 0.40 0.06 0.00 0.03 0.00 0.00 33.01 33.62 2jxa s GLN 101 CO 0.78 -0.30 0.54 0.00 -2.54 0.00 0.00 175.29 173.77 2jxa s VAL 103 N 0.66 2.58 -0.01 0.00 1.01 -1.26 -1.65 120.40 121.73 2jxa s VAL 103 Ca -0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2jxa s VAL 103 Cb -0.05 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 2jxa s VAL 103 CO -0.04 0.54 0.09 -0.69 0.00 0.00 0.00 175.10 175.00 2jxa s VAL 104 N 0.28 0.06 -0.27 2.92 1.01 -0.63 -4.93 120.40 118.84 2jxa s VAL 104 Ca -0.13 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 2jxa s VAL 104 Cb -0.17 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2jxa s VAL 104 CO 0.07 -0.29 1.02 -0.69 0.00 0.00 0.00 175.10 175.21 2jxa s VAL 105 N -0.96 4.63 0.00 2.92 1.01 -1.26 0.28 120.40 127.03 2jxa s VAL 105 Ca -0.10 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2jxa s VAL 105 Cb -0.06 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2jxa s VAL 105 CO 0.01 -0.29 0.70 0.00 0.00 0.00 0.00 175.10 175.51 2jxa n ALA 106 N 6.50 2.35 0.00 5.51 0.00 0.74 -4.66 120.51 130.94 2jxa n ALA 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2jxa n ALA 106 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 1.54 -0.57 5.82 0.00 0.00 -1.26 -1.90 105.19 108.83 2jxa n GLY 107 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2jxa n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxa n SER 108 N 0.00 0.00 0.00 1.61 2.88 -1.26 -1.01 113.62 115.84 2jxa n SER 108 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2jxa n SER 108 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 2jxa n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jxa n ASP 109 N -3.33 0.00 0.08 -3.46 9.92 -1.26 -1.83 116.55 116.67 2jxa n ASP 109 Ca 0.00 0.43 0.13 0.00 -0.53 0.00 0.00 54.79 54.82 2jxa n ASP 109 Cb 0.00 -0.45 0.46 0.00 -0.64 0.00 0.00 41.12 40.49 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jxa n ALA 110 N -1.45 2.18 -3.75 2.24 0.00 -0.18 -4.72 120.51 114.84 2jxa n ALA 110 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 2jxa n ALA 110 Cb 0.05 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.89 2jxa n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jxa s PHE 111 N -3.10 0.00 0.00 0.00 0.40 -0.45 -4.89 117.98 109.94 2jxa s PHE 111 Ca 0.10 0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 2jxa s PHE 111 Cb 0.13 -0.26 0.00 0.00 0.51 0.00 0.00 43.02 43.41 2jxa s PHE 111 CO 0.54 -0.12 0.00 -2.30 0.70 0.00 0.00 175.22 174.04 2jxa n PRO 112 N 4.39 2.26 -3.52 0.24 -0.02 -1.26 -4.65 135.00 132.44 2jxa n PRO 112 Ca -0.23 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.96 2jxa n PRO 112 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.86 2jxa n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxa s ASP 113 N -2.57 3.19 -0.10 2.55 -1.08 -1.26 -4.97 116.67 112.42 2jxa s ASP 113 Ca 0.00 -2.09 -0.22 0.00 -0.52 0.00 0.00 52.55 49.72 2jxa s ASP 113 Cb 0.00 -0.50 -0.27 0.00 -1.46 0.00 0.00 42.92 40.69 2jxa s ASP 113 CO 0.00 -0.33 0.70 1.55 0.52 0.00 0.00 175.17 177.61 2jxa h PRO 114 N 7.23 0.17 -2.54 4.34 0.13 -1.93 -3.42 132.00 135.98 2jxa h PRO 114 Ca 0.00 -0.29 -0.60 0.00 -0.87 0.00 0.00 66.00 64.25 2jxa h PRO 114 Cb 0.97 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.81 2jxa h PRO 114 CO 0.33 1.14 -0.83 0.00 -0.23 0.00 0.00 178.00 178.41 2jxa s PRO 116 N -0.81 4.18 0.00 0.00 0.04 -1.26 -2.76 135.00 134.39 2jxa s PRO 116 Ca 0.31 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2jxa s PRO 116 Cb 0.04 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2jxa s PRO 116 CO -0.16 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2jxa n GLY 117 N 3.33 0.55 3.57 0.56 0.00 -1.26 -5.09 105.19 106.84 2jxa n GLY 117 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2jxa n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxa s THR 118 N -2.00 3.42 -0.73 2.61 2.01 -1.11 -4.49 115.64 115.34 2jxa s THR 118 Ca 0.00 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 2jxa s THR 118 Cb 0.00 -2.55 0.07 0.00 0.01 0.00 0.00 72.50 70.03 2jxa s THR 118 CO 0.00 0.23 1.08 -0.47 -0.69 0.00 0.00 174.62 174.77 2jxa s TYR 119 N -1.12 2.62 0.00 4.92 5.04 -0.78 -4.99 117.35 123.04 2jxa s TYR 119 Ca 0.19 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2jxa s TYR 119 Cb -0.11 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 37.80 2jxa s TYR 119 CO 0.11 -1.75 0.00 1.63 -1.34 0.00 0.00 175.55 174.20 2jxa n LYS 120 N 8.05 0.59 -3.75 4.97 5.02 -1.26 -4.84 118.16 126.94 2jxa n LYS 120 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 2jxa n LYS 120 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.47 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.30 -0.07 -0.10 2.13 -0.85 0.22 -2.68 117.35 115.70 2jxa s TYR 121 Ca 0.00 -0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 2jxa s TYR 121 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.99 2jxa s TYR 121 CO 0.00 -0.70 -0.09 -1.17 -1.52 0.00 0.00 175.55 172.07 2jxa s LEU 122 N -3.06 1.31 -0.14 -3.49 2.96 -0.51 -1.19 118.68 114.57 2jxa s LEU 122 Ca 0.15 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2jxa s LEU 122 Cb -0.00 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2jxa s LEU 122 CO 0.01 -0.08 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.12 2jxa s GLU 123 N 1.44 3.30 -0.06 1.98 2.12 -0.56 -1.94 118.70 124.99 2jxa s GLU 123 Ca 0.00 -0.72 -0.00 0.00 0.36 0.00 0.00 54.97 54.60 2jxa s GLU 123 Cb -0.13 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.68 2jxa s GLU 123 CO -0.05 0.14 -0.01 0.08 -0.54 0.00 0.00 175.26 174.88 2jxa s VAL 124 N 0.51 0.39 -0.17 3.70 1.01 -0.65 -1.27 120.40 123.92 2jxa s VAL 124 Ca -0.10 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2jxa s VAL 124 Cb -0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2jxa s VAL 124 CO 0.04 0.24 0.00 -1.10 0.00 0.00 0.00 175.10 174.28 2jxa s GLN 125 N 1.57 3.78 0.21 2.72 1.11 0.81 -2.09 119.66 127.77 2jxa s GLN 125 Ca -0.01 -0.45 -0.14 0.00 0.01 0.00 0.00 55.36 54.77 2jxa s GLN 125 Cb -0.13 -3.05 0.01 0.00 -1.01 0.00 0.00 33.01 28.83 2jxa s GLN 125 CO -0.03 0.23 0.45 1.52 0.01 0.00 0.00 175.29 177.46 2jxa s TYR 126 N 0.44 0.20 0.23 0.91 1.13 0.08 -1.24 117.35 119.09 2jxa s TYR 126 Ca -0.01 -0.55 0.07 0.00 -1.41 0.00 0.00 57.07 55.17 2jxa s TYR 126 Cb -0.14 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.88 2jxa s TYR 126 CO 0.02 -0.90 -0.11 -0.51 -2.51 0.00 0.00 175.55 171.54 2jxa s ASP 127 N -2.95 2.56 -0.20 -0.18 1.11 -0.94 0.08 116.67 116.15 2jxa s ASP 127 Ca 0.16 -1.08 -0.03 0.00 0.18 0.00 0.00 52.55 51.78 2jxa s ASP 127 Cb 0.00 -0.13 -0.01 0.00 1.07 0.00 0.00 42.92 43.85 2jxa s ASP 127 CO 0.03 -0.25 -0.05 0.00 1.18 0.00 0.00 175.17 176.08 2jxa s VAL 129 N 1.22 1.82 0.60 0.00 -7.23 -0.88 -4.80 120.40 111.14 2jxa s VAL 129 Ca 0.03 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 2jxa s VAL 129 Cb -0.14 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2jxa s VAL 129 CO -0.02 -0.27 1.09 -2.65 -0.31 0.00 0.00 175.10 172.94 2jxa n PRO 130 N 0.41 1.06 0.00 4.82 -0.02 -1.26 -0.20 135.00 139.80 2jxa n PRO 130 Ca -0.14 0.41 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2jxa n PRO 130 Cb 0.56 -2.29 0.62 0.00 -0.02 0.00 0.00 33.50 32.37 2jxa n PRO 130 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2jxa n TYR 131 N -1.64 0.00 -3.12 6.00 9.36 -1.25 -4.77 117.16 121.74 2jxa n TYR 131 Ca 0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.36 2jxa n TYR 131 Cb 0.47 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 2jxa n TYR 131 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2jxa n LYS 132 N -0.90 0.00 -3.07 2.98 -0.00 -1.26 -5.14 118.16 110.78 2jxa n LYS 132 Ca 0.16 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.07 2jxa n LYS 132 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.05 2jxa n LYS 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jxa s VAL 133 N -1.73 4.94 0.00 0.58 0.11 -1.26 -5.16 120.40 117.89 2jxa s VAL 133 Ca 0.00 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 2jxa s VAL 133 Cb 0.00 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 2jxa s VAL 133 CO 0.00 0.32 0.00 1.21 -3.33 0.00 0.00 175.10 173.30