#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa n LEU 30 N 0.00 2.09 -4.84 0.99 7.99 -1.26 -5.11 117.00 116.87 2jxa n LEU 30 Ca 0.00 -5.05 -0.32 0.00 -0.01 0.00 0.00 56.01 50.63 2jxa n LEU 30 Cb 0.00 -0.20 -0.05 0.00 -0.11 0.00 0.00 43.42 43.06 2jxa n LEU 30 CO 0.00 1.95 0.61 -2.16 -1.51 0.00 0.00 177.39 176.28 2jxa s PRO 31 N -1.52 4.04 0.00 3.23 0.04 -1.26 -4.95 135.00 134.58 2jxa s PRO 31 Ca 0.34 0.93 0.15 0.00 0.04 0.00 0.00 61.00 62.46 2jxa s PRO 31 Cb 0.09 -2.22 0.89 0.00 0.04 0.00 0.00 34.50 33.30 2jxa s PRO 31 CO -0.11 -0.10 1.51 1.19 0.04 0.00 0.00 177.00 179.53 2jxa n PHE 32 N -1.06 0.00 0.00 0.56 3.01 -1.26 -4.86 117.46 113.85 2jxa n PHE 32 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2jxa n PHE 32 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jxa n GLY 33 N 0.62 1.38 3.13 1.37 0.00 -1.26 -4.72 105.19 105.71 2jxa n GLY 33 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -1.38 0.43 0.99 -0.00 -1.26 -5.13 118.68 112.33 2jxa s LEU 34 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 54.13 54.78 2jxa s LEU 34 Cb 0.00 2.04 0.00 0.00 -0.00 0.00 0.00 46.19 48.23 2jxa s LEU 34 CO 0.00 -0.27 0.00 0.23 -0.00 0.00 0.00 176.35 176.31 2jxa n MET 35 N 5.42 -2.92 -3.71 1.48 2.81 -1.26 -4.88 117.12 114.06 2jxa n MET 35 Ca 0.00 2.28 -0.34 0.00 -1.81 0.00 0.00 57.70 57.83 2jxa n MET 35 Cb 0.52 -3.03 -0.05 0.00 -0.71 0.00 0.00 33.22 29.95 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 -4.99 3.62 -0.22 0.03 0.52 -0.86 -4.68 118.95 112.37 2jxa s ARG 36 Ca 0.00 -0.05 -0.19 0.00 -0.52 0.00 0.00 55.73 54.98 2jxa s ARG 36 Cb 0.00 -3.01 0.06 0.00 0.52 0.00 0.00 34.95 32.51 2jxa s ARG 36 CO 0.00 0.59 0.58 0.50 0.02 0.00 0.00 175.30 176.99 2jxa s ARG 37 N -2.01 0.65 0.09 3.54 3.52 -1.26 -1.31 118.95 122.17 2jxa s ARG 37 Ca 0.32 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.84 2jxa s ARG 37 Cb -0.13 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 2jxa s ARG 37 CO 0.19 -0.10 -0.19 -1.21 -0.81 0.00 0.00 175.30 173.19 2jxa s GLU 38 N 0.55 1.02 0.00 5.12 0.41 -0.96 -4.99 118.70 119.85 2jxa s GLU 38 Ca -0.02 -1.09 0.01 0.00 -0.41 0.00 0.00 54.97 53.46 2jxa s GLU 38 Cb -0.05 -1.19 -0.01 0.00 -1.78 0.00 0.00 34.13 31.11 2jxa s GLU 38 CO -0.03 0.27 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.83 2jxa s LEU 39 N -1.84 2.06 -0.03 1.80 0.20 -1.26 -1.73 118.68 117.88 2jxa s LEU 39 Ca 0.03 -0.14 -0.06 0.00 0.69 0.00 0.00 54.13 54.66 2jxa s LEU 39 Cb -0.10 -0.06 0.01 0.00 -0.43 0.00 0.00 46.19 45.61 2jxa s LEU 39 CO 0.04 -0.05 0.14 0.00 -0.29 0.00 0.00 176.35 176.19 2jxa s ALA 40 N -0.35 -0.33 0.19 5.97 0.00 -0.91 -4.99 121.76 121.34 2jxa s ALA 40 Ca -0.03 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2jxa s ALA 40 Cb -0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 2jxa s ALA 40 CO -0.00 -0.14 1.24 0.00 0.00 0.00 0.00 175.76 176.86 2jxa n GLU 42 N 2.60 0.44 -0.09 0.00 2.13 -1.13 -2.23 120.64 122.36 2jxa n GLU 42 Ca 0.05 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2jxa n GLU 42 Cb 0.44 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 1.00 3.48 8.31 0.00 -0.82 -4.92 105.19 114.01 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 -2.45 2.45 0.34 1.61 1.51 -0.95 -4.77 117.35 115.08 2jxa s TYR 44 Ca 0.00 -0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 55.48 2jxa s TYR 44 Cb 0.00 -1.21 -0.10 0.00 -0.11 0.00 0.00 41.96 40.54 2jxa s TYR 44 CO 0.00 0.49 1.24 -1.25 -1.11 0.00 0.00 175.55 174.93 2jxa s PRO 45 N -2.68 4.33 0.06 -1.71 0.04 -1.26 -0.78 135.00 133.01 2jxa s PRO 45 Ca 0.22 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.41 2jxa s PRO 45 Cb -0.08 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2jxa s PRO 45 CO 0.12 -0.15 -0.20 -1.50 0.04 0.00 0.00 177.00 175.31 2jxa s ILE 46 N -1.20 2.70 -0.09 0.56 2.07 -0.29 -4.87 121.20 120.08 2jxa s ILE 46 Ca 0.50 -1.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 2jxa s ILE 46 Cb -0.37 -2.15 0.01 0.00 0.13 0.00 0.00 42.46 40.08 2jxa s ILE 46 CO 0.48 0.28 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.94 2jxa s GLU 47 N -1.60 2.08 -0.05 3.50 2.12 -1.26 -2.19 118.70 121.29 2jxa s GLU 47 Ca 0.15 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.00 2jxa s GLU 47 Cb -0.10 -1.72 -0.02 0.00 0.26 0.00 0.00 34.13 32.54 2jxa s GLU 47 CO 0.06 0.00 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.09 2jxa s LEU 48 N 0.79 2.53 -0.10 2.70 1.43 -0.36 -4.98 118.68 120.69 2jxa s LEU 48 Ca -0.11 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2jxa s LEU 48 Cb -0.16 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2jxa s LEU 48 CO 0.02 0.31 0.24 -0.13 0.23 0.00 0.00 176.35 177.02 2jxa s ARG 49 N -0.55 0.23 -0.13 1.70 0.52 -1.26 -1.07 118.95 118.40 2jxa s ARG 49 Ca 0.07 0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 55.65 2jxa s ARG 49 Cb -0.11 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 2jxa s ARG 49 CO 0.01 -0.12 0.19 0.00 0.02 0.00 0.00 175.30 175.40 2jxa s PRO 51 N -0.57 2.50 3.78 0.00 0.04 -1.26 -4.69 135.00 134.80 2jxa s PRO 51 Ca 0.15 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2jxa s PRO 51 Cb -0.13 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jxa s PRO 51 CO 0.04 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.03 2jxa n GLY 52 N -1.04 2.21 1.89 0.56 0.00 -1.26 -2.11 105.19 105.43 2jxa n GLY 52 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.48 5.07 -4.87 1.61 3.41 -1.26 -4.97 113.62 112.13 2jxa n SER 53 Ca 0.00 -3.01 -0.30 0.00 -0.26 0.00 0.00 58.87 55.30 2jxa n SER 53 Cb 0.00 -0.71 0.06 0.00 -0.26 0.00 0.00 64.21 63.30 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 -0.82 5.14 0.08 4.04 1.01 -0.90 -3.22 116.67 122.02 2jxa s ASP 54 Ca 0.52 1.14 0.08 0.00 0.71 0.00 0.00 52.55 54.99 2jxa s ASP 54 Cb 0.40 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.41 2jxa s ASP 54 CO 0.14 -1.53 -0.20 0.68 0.21 0.00 0.00 175.17 174.46 2jxa s VAL 55 N -3.33 1.64 0.22 -1.27 -7.23 0.28 -4.38 120.40 106.32 2jxa s VAL 55 Ca 0.59 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 2jxa s VAL 55 Cb -0.12 -1.48 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 2jxa s VAL 55 CO 0.52 -0.01 1.24 -0.63 -0.31 0.00 0.00 175.10 175.91 2jxa s ILE 56 N -1.08 3.33 -0.28 -0.62 1.01 0.38 -1.79 121.20 122.16 2jxa s ILE 56 Ca 0.06 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 2jxa s ILE 56 Cb -0.10 -3.74 0.09 0.00 0.01 0.00 0.00 42.46 38.72 2jxa s ILE 56 CO 0.03 0.20 0.09 0.00 0.00 0.00 0.00 174.94 175.27 2jxa s MET 57 N -0.54 0.58 0.09 2.79 0.23 -0.18 -1.25 119.30 121.01 2jxa s MET 57 Ca 0.53 -0.83 -0.31 0.00 -1.03 0.00 0.00 55.69 54.05 2jxa s MET 57 Cb -0.35 -1.81 -0.08 0.00 -1.53 0.00 0.00 34.83 31.06 2jxa s MET 57 CO 0.40 -0.93 1.54 0.08 -2.03 0.00 0.00 175.02 174.08 2jxa s VAL 58 N 1.78 3.11 -0.22 5.16 1.01 -1.26 -1.98 120.40 127.99 2jxa s VAL 58 Ca 0.08 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 2jxa s VAL 58 Cb -0.17 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2jxa s VAL 58 CO -0.25 0.02 -0.27 -0.62 0.00 0.00 0.00 175.10 173.98 2jxa n GLU 59 N 4.91 0.48 -3.78 2.72 -0.58 0.18 -4.95 120.64 119.62 2jxa n GLU 59 Ca 0.14 0.19 -0.13 0.00 -0.42 0.00 0.00 57.16 56.95 2jxa n GLU 59 Cb 0.41 -1.32 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2jxa s ASN 60 N -6.85 -0.22 -0.10 1.62 0.01 -1.03 -5.02 114.94 103.36 2jxa s ASN 60 Ca -0.31 0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.81 2jxa s ASN 60 Cb 0.11 0.43 0.12 0.00 0.41 0.00 0.00 41.25 42.32 2jxa s ASN 60 CO 0.41 -0.29 0.95 0.00 -1.51 0.00 0.00 177.10 176.66 2jxa s ALA 61 N -0.71 -1.89 0.01 0.60 0.00 -1.26 0.14 121.76 118.65 2jxa s ALA 61 Ca -0.08 1.36 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 2jxa s ALA 61 Cb -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2jxa s ALA 61 CO 0.02 -0.47 0.33 1.21 0.00 0.00 0.00 175.76 176.85 2jxa s ASN 62 N -1.68 -0.19 -0.18 0.00 2.47 -0.87 -3.13 114.94 111.37 2jxa s ASN 62 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.30 2jxa s ASN 62 Cb -0.01 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.15 2jxa s ASN 62 CO -0.02 -0.52 -0.17 -0.47 -3.72 0.00 0.00 177.10 172.19 2jxa s TYR 63 N -1.82 2.79 0.00 0.43 6.14 -1.26 -2.27 117.35 121.36 2jxa s TYR 63 Ca -0.10 -1.45 0.00 0.00 0.64 0.00 0.00 57.07 56.16 2jxa s TYR 63 Cb -0.03 -1.93 0.00 0.00 0.42 0.00 0.00 41.96 40.41 2jxa s TYR 63 CO 0.01 -0.71 0.00 0.41 0.64 0.00 0.00 175.55 175.90 2jxa n GLY 64 N 4.53 -0.28 3.38 8.97 0.00 -0.62 -3.39 105.19 117.78 2jxa n GLY 64 Ca -0.20 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.07 0.47 0.00 1.61 3.52 -0.93 0.75 118.95 123.31 2jxa s ARG 65 Ca 0.00 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 2jxa s ARG 65 Cb 0.00 0.52 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 2jxa s ARG 65 CO 0.00 -0.32 0.90 0.25 -0.81 0.00 0.00 175.30 175.32 2jxa n THR 66 N 5.42 0.81 -4.03 4.11 -2.24 -1.26 -0.17 114.28 116.92 2jxa n THR 66 Ca -0.08 -0.83 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 2jxa n THR 66 Cb 0.50 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2jxa n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jxa n ASP 67 N -0.40 -1.07 0.00 3.42 2.03 -1.26 -4.76 116.55 114.50 2jxa n ASP 67 Ca 0.00 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.65 2jxa n ASP 67 Cb 0.27 2.05 0.00 0.00 -0.72 0.00 0.00 41.12 42.72 2jxa n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jxa n ASP 68 N -1.73 0.08 -0.94 1.67 5.68 -1.26 -4.58 116.55 115.46 2jxa n ASP 68 Ca 0.02 -0.93 0.10 0.00 -0.50 0.00 0.00 54.79 53.48 2jxa n ASP 68 Cb 0.50 0.01 0.14 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.01 2.14 -4.69 0.11 5.02 -1.26 -4.89 118.16 114.59 2jxa n LYS 69 Ca 0.00 -1.96 -0.33 0.00 -2.02 0.00 0.00 58.31 53.99 2jxa n LYS 69 Cb 0.21 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.53 3.48 -0.74 -0.18 -1.09 -1.26 -4.72 121.20 115.16 2jxa s ILE 70 Ca 0.30 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.15 2jxa s ILE 70 Cb 0.19 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2jxa s ILE 70 CO 0.27 0.58 0.67 0.00 -1.23 0.00 0.00 174.94 175.23 2jxa n ASP 72 N -1.87 2.67 -0.36 0.00 5.68 -1.26 -4.95 116.55 116.46 2jxa n ASP 72 Ca -0.08 1.07 0.00 0.00 -0.50 0.00 0.00 54.79 55.28 2jxa n ASP 72 Cb 0.55 -1.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jxa n ALA 73 N 4.28 0.00 -1.77 2.12 0.00 -1.26 -5.13 120.51 118.76 2jxa n ALA 73 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.25 2jxa n ALA 73 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 0.40 6.17 0.38 0.00 -4.77 -1.26 -4.84 116.67 112.76 2jxa s ASP 74 Ca 0.00 2.75 0.11 0.00 -3.30 0.00 0.00 52.55 52.11 2jxa s ASP 74 Cb 0.00 -2.64 0.91 0.00 -1.09 0.00 0.00 42.92 40.09 2jxa s ASP 74 CO 0.00 -0.95 1.90 1.55 0.70 0.00 0.00 175.17 178.36 2jxa h PRO 75 N 2.57 0.57 -0.55 2.11 0.13 -2.00 -0.35 132.00 134.49 2jxa h PRO 75 Ca -0.50 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 2jxa h PRO 75 Cb 1.25 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2jxa h PRO 75 CO 0.62 0.38 0.13 0.74 -0.23 0.00 0.00 178.00 179.63 2jxa h PHE 76 N 0.59 0.87 -0.00 1.56 -1.00 -1.95 0.17 116.94 117.17 2jxa h PHE 76 Ca 0.41 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2jxa h PHE 76 Cb 0.73 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2jxa h PHE 76 CO -0.00 0.74 -0.17 1.04 -1.61 0.00 0.00 178.31 178.31 2jxa n GLN 77 N -4.27 0.03 0.00 1.51 6.02 -0.24 -3.21 117.38 117.23 2jxa n GLN 77 Ca 0.04 -0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 2jxa n GLN 77 Cb 0.23 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.47 1.40 0.19 -1.09 2.81 -0.56 -0.13 117.12 118.26 2jxa n MET 78 Ca 0.07 -1.36 -0.15 0.00 -1.81 0.00 0.00 57.70 54.45 2jxa n MET 78 Cb 0.33 -1.31 -0.08 0.00 -0.71 0.00 0.00 33.22 31.46 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 2.99 -0.39 -6.25 0.03 5.08 -0.68 -3.42 114.58 111.94 2jxa h GLU 79 Ca 0.00 0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.82 2jxa h GLU 79 Cb 0.67 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2jxa h GLU 79 CO 0.00 -0.24 0.91 1.21 -1.00 0.00 0.00 179.01 179.89 2jxa s ASN 80 N -4.85 6.84 -0.35 1.42 2.47 -1.26 -4.89 114.94 114.32 2jxa s ASN 80 Ca -0.15 1.38 0.07 0.00 0.42 0.00 0.00 52.86 54.58 2jxa s ASN 80 Cb 0.05 -2.54 0.58 0.00 -1.45 0.00 0.00 41.25 37.88 2jxa s ASN 80 CO 0.64 -0.90 1.64 1.33 -3.72 0.00 0.00 177.10 176.09 2jxa n VAL 81 N 5.78 2.80 -3.41 -5.21 0.24 -1.26 -4.71 118.33 112.57 2jxa n VAL 81 Ca 0.14 -2.39 -0.27 0.00 -2.04 0.00 0.00 64.34 59.78 2jxa n VAL 81 Cb 0.46 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.25 0.72 -0.12 7.34 -1.52 -0.74 -4.04 119.66 118.05 2jxa s GLN 82 Ca 0.49 -1.63 -0.05 0.00 -1.95 0.00 0.00 55.36 52.22 2jxa s GLN 82 Cb 0.43 -1.28 0.06 0.00 -0.22 0.00 0.00 33.01 32.00 2jxa s GLN 82 CO 0.04 -1.29 0.26 0.00 -0.25 0.00 0.00 175.29 174.06 2jxa s TYR 84 N 1.94 1.08 -0.33 0.00 1.51 -1.26 -2.19 117.35 118.09 2jxa s TYR 84 Ca -0.03 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 2jxa s TYR 84 Cb -0.11 -0.58 0.15 0.00 -0.11 0.00 0.00 41.96 41.31 2jxa s TYR 84 CO -0.09 -0.02 0.34 -1.17 -1.11 0.00 0.00 175.55 173.50 2jxa s LEU 85 N -2.97 -0.15 0.27 -1.29 2.96 -1.22 -4.89 118.68 111.39 2jxa s LEU 85 Ca 0.12 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 52.86 2jxa s LEU 85 Cb 0.02 0.55 0.63 0.00 0.50 0.00 0.00 46.19 47.89 2jxa s LEU 85 CO -0.02 -0.32 1.69 -0.65 -1.32 0.00 0.00 176.35 175.74 2jxa h PRO 86 N 7.63 0.35 0.00 0.98 0.11 -1.92 -0.44 132.00 138.70 2jxa h PRO 86 Ca -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2jxa h PRO 86 Cb 1.07 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jxa h PRO 86 CO 0.26 0.23 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.82 2jxa h ASP 87 N 0.36 0.00 -0.82 -2.05 3.32 -1.96 -2.49 116.42 112.78 2jxa h ASP 87 Ca 0.50 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.70 2jxa h ASP 87 Cb 0.92 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 2jxa h ASP 87 CO -0.52 0.02 0.54 0.00 -1.72 0.00 0.00 179.24 177.56 2jxa h ALA 88 N 1.98 1.98 -0.13 3.45 0.00 -1.36 0.94 119.26 126.12 2jxa h ALA 88 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jxa h ALA 88 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jxa h ALA 88 CO 0.00 -0.20 -0.02 0.35 0.00 0.00 0.00 179.25 179.38 2jxa h PHE 89 N 0.55 0.27 -0.48 0.00 3.57 -1.38 -2.21 116.94 117.25 2jxa h PHE 89 Ca 0.40 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 2jxa h PHE 89 Cb 0.78 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2jxa h PHE 89 CO -0.00 0.52 -0.10 1.57 -2.23 0.00 0.00 178.31 178.07 2jxa h LYS 90 N -0.06 0.92 -0.24 1.11 2.10 -1.47 -1.81 116.57 117.11 2jxa h LYS 90 Ca 0.03 -0.34 -0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2jxa h LYS 90 Cb 0.43 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2jxa h LYS 90 CO 0.01 1.00 0.13 0.82 -2.00 0.00 0.00 179.45 179.41 2jxa h ILE 91 N 0.77 1.11 -0.35 0.07 2.04 -0.86 -1.10 117.51 119.19 2jxa h ILE 91 Ca 0.13 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2jxa h ILE 91 Cb 0.65 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2jxa h ILE 91 CO 0.04 0.11 -0.19 0.24 0.00 0.00 0.00 178.15 178.35 2jxa h MET 92 N 0.28 0.65 -0.75 2.37 2.86 -1.38 -2.06 114.93 116.89 2jxa h MET 92 Ca 0.08 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2jxa h MET 92 Cb 0.05 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2jxa h MET 92 CO -0.01 0.80 0.45 0.77 1.06 0.00 0.00 176.91 179.98 2jxa h SER 93 N 0.58 0.91 -0.40 1.22 0.02 -1.02 0.90 113.55 115.77 2jxa h SER 93 Ca 0.09 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2jxa h SER 93 Cb 0.64 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2jxa h SER 93 CO 0.05 0.70 0.02 1.56 -1.14 0.00 0.00 176.83 178.01 2jxa h GLN 94 N 1.03 0.78 0.01 3.45 4.20 -0.84 0.75 115.11 124.47 2jxa h GLN 94 Ca 0.27 -0.20 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 2jxa h GLN 94 Cb -0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2jxa h GLN 94 CO -0.05 0.77 -0.90 0.00 -0.67 0.00 0.00 178.83 177.99 2jxa h ARG 95 N 0.73 0.23 0.00 1.46 3.08 -0.67 -3.37 114.38 115.84 2jxa h ARG 95 Ca 0.15 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2jxa h ARG 95 Cb 0.42 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jxa h ARG 95 CO 0.02 0.99 -0.72 0.00 -1.07 0.00 0.00 179.97 179.18 2jxa n ASN 97 N -1.39 3.57 -0.46 0.00 5.03 0.26 -1.80 115.26 120.48 2jxa n ASN 97 Ca 0.00 1.17 -0.06 0.00 0.87 0.00 0.00 54.58 56.57 2jxa n ASN 97 Cb 0.14 -1.57 -0.03 0.00 -1.02 0.00 0.00 39.78 37.30 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jxa n ASN 98 N 1.56 -4.81 -4.46 6.41 4.13 -0.38 -4.96 115.26 112.75 2jxa n ASN 98 Ca 0.07 0.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.17 2jxa n ASN 98 Cb 0.36 -2.83 -0.12 0.00 -1.54 0.00 0.00 39.78 35.65 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 -2.11 1.93 0.22 3.52 0.52 -0.74 -4.80 118.95 117.49 2jxa s ARG 99 Ca 0.00 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 2jxa s ARG 99 Cb 0.00 -2.14 0.17 0.00 0.52 0.00 0.00 34.95 33.50 2jxa s ARG 99 CO 0.00 0.51 1.50 1.15 0.02 0.00 0.00 175.30 178.49 2jxa h THR 100 N 3.81 1.45 -3.26 0.02 2.02 -1.86 1.09 112.91 116.19 2jxa h THR 100 Ca -0.48 -2.29 -0.10 0.00 0.77 0.00 0.00 66.41 64.30 2jxa h THR 100 Cb 1.16 2.22 -0.18 0.00 -1.74 0.00 0.00 68.15 69.62 2jxa h THR 100 CO 0.47 0.67 -0.28 0.00 0.37 0.00 0.00 175.52 176.74 2jxa s GLN 101 N -3.50 0.75 -0.24 6.66 -2.07 -1.26 0.14 119.66 120.14 2jxa s GLN 101 Ca -0.03 -0.43 -0.14 0.00 -1.82 0.00 0.00 55.36 52.94 2jxa s GLN 101 Cb 0.11 0.32 0.07 0.00 -1.09 0.00 0.00 33.01 32.43 2jxa s GLN 101 CO 0.80 -0.23 0.59 0.00 -1.32 0.00 0.00 175.29 175.13 2jxa s VAL 103 N 1.39 1.88 -0.00 0.00 1.01 -1.26 -1.23 120.40 122.19 2jxa s VAL 103 Ca -0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2jxa s VAL 103 Cb -0.06 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 2jxa s VAL 103 CO -0.15 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 2jxa s VAL 104 N 0.80 0.06 -0.12 2.92 1.01 -0.93 -4.94 120.40 119.20 2jxa s VAL 104 Ca -0.08 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2jxa s VAL 104 Cb -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2jxa s VAL 104 CO -0.00 -0.29 1.39 -0.69 0.00 0.00 0.00 175.10 175.51 2jxa s VAL 105 N -0.90 4.04 0.00 2.92 1.01 -1.26 -1.14 120.40 125.07 2jxa s VAL 105 Ca -0.10 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 2jxa s VAL 105 Cb -0.06 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2jxa s VAL 105 CO 0.00 -0.11 1.30 0.00 0.00 0.00 0.00 175.10 176.29 2jxa n ALA 106 N 6.72 3.06 0.00 5.51 0.00 0.04 -4.62 120.51 131.23 2jxa n ALA 106 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2jxa n ALA 106 Cb 0.44 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.90 -0.59 4.05 0.00 0.00 -1.26 -1.95 105.19 107.34 2jxa n GLY 107 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.01 1.61 2.88 -1.26 -0.03 113.62 116.83 2jxa n SER 108 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2jxa n SER 108 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.92 0.03 0.21 -3.46 8.00 -1.26 -1.94 116.55 116.22 2jxa n ASP 109 Ca 0.00 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.12 2jxa n ASP 109 Cb 0.00 -0.52 0.26 0.00 -0.02 0.00 0.00 41.12 40.84 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa h ALA 110 N 2.15 0.93 -3.48 2.24 0.00 -0.70 -3.43 119.26 116.96 2jxa h ALA 110 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 2jxa h ALA 110 Cb 0.08 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.50 2jxa h ALA 110 CO 0.00 0.19 -0.74 -0.06 0.00 0.00 0.00 179.25 178.63 2jxa s PHE 111 N -3.29 0.26 0.00 0.00 0.08 -0.09 -4.88 117.98 110.05 2jxa s PHE 111 Ca 0.04 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.13 2jxa s PHE 111 Cb 0.07 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 2jxa s PHE 111 CO 0.66 -0.13 0.00 -2.30 -0.10 0.00 0.00 175.22 173.35 2jxa n PRO 112 N 4.24 2.76 -3.39 0.24 -0.02 -1.26 -4.54 135.00 133.03 2jxa n PRO 112 Ca -0.25 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 60.96 2jxa n PRO 112 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.88 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 -2.39 1.44 0.50 2.55 2.15 -1.26 -4.93 116.67 114.72 2jxa s ASP 113 Ca 0.00 -3.03 0.29 0.00 0.43 0.00 0.00 52.55 50.24 2jxa s ASP 113 Cb 0.00 -0.42 0.91 0.00 -0.30 0.00 0.00 42.92 43.11 2jxa s ASP 113 CO 0.00 -0.18 1.82 1.55 -0.17 0.00 0.00 175.17 178.19 2jxa h PRO 114 N 5.68 0.00 -1.20 4.34 0.13 -1.90 -3.40 132.00 135.66 2jxa h PRO 114 Ca 0.26 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.18 2jxa h PRO 114 Cb 0.91 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.85 2jxa h PRO 114 CO 0.36 0.00 -0.56 0.00 -0.23 0.00 0.00 178.00 177.58 2jxa s PRO 116 N 0.79 4.31 0.00 0.00 0.04 -1.26 -3.33 135.00 135.55 2jxa s PRO 116 Ca 0.30 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2jxa s PRO 116 Cb 0.00 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2jxa s PRO 116 CO -0.07 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2jxa n GLY 117 N 0.97 0.47 3.35 0.56 0.00 -1.26 -5.08 105.19 104.20 2jxa n GLY 117 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 2.14 -0.78 2.61 2.01 -1.21 -4.30 115.64 114.11 2jxa s THR 118 Ca 0.00 -1.46 -0.23 0.00 0.31 0.00 0.00 61.69 60.31 2jxa s THR 118 Cb 0.00 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.73 2jxa s THR 118 CO 0.00 0.30 1.15 -0.47 -0.69 0.00 0.00 174.62 174.91 2jxa s TYR 119 N -0.86 2.61 0.00 4.92 5.04 0.82 -4.97 117.35 124.90 2jxa s TYR 119 Ca 0.12 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2jxa s TYR 119 Cb -0.10 -4.45 0.00 0.00 0.35 0.00 0.00 41.96 37.76 2jxa s TYR 119 CO 0.03 -1.79 0.00 1.63 -1.34 0.00 0.00 175.55 174.07 2jxa n LYS 120 N 8.19 -0.11 -3.72 4.97 5.02 -1.26 -4.85 118.16 126.41 2jxa n LYS 120 Ca 0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.34 2jxa n LYS 120 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.48 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 -0.60 -0.13 -0.10 2.13 -0.85 0.23 -2.86 117.35 115.17 2jxa s TYR 121 Ca 0.00 -0.13 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 2jxa s TYR 121 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.98 2jxa s TYR 121 CO 0.00 -0.72 -0.11 -1.17 -1.52 0.00 0.00 175.55 172.03 2jxa s LEU 122 N -2.92 1.46 -0.14 -3.49 2.96 -0.73 -1.59 118.68 114.24 2jxa s LEU 122 Ca 0.12 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2jxa s LEU 122 Cb -0.00 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.77 2jxa s LEU 122 CO 0.01 -0.05 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.12 2jxa s GLU 123 N 1.28 3.22 -0.09 1.98 2.12 -0.96 -2.13 118.70 124.12 2jxa s GLU 123 Ca -0.02 -0.76 -0.00 0.00 0.36 0.00 0.00 54.97 54.54 2jxa s GLU 123 Cb -0.14 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.71 2jxa s GLU 123 CO -0.04 0.10 -0.05 0.08 -0.54 0.00 0.00 175.26 174.81 2jxa s VAL 124 N 0.61 0.74 -0.20 3.70 1.01 -0.70 -2.04 120.40 123.52 2jxa s VAL 124 Ca -0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2jxa s VAL 124 Cb -0.16 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2jxa s VAL 124 CO 0.03 0.31 0.06 -1.10 0.00 0.00 0.00 175.10 174.40 2jxa s GLN 125 N 1.66 3.89 0.23 2.72 1.11 0.12 -2.26 119.66 127.13 2jxa s GLN 125 Ca 0.02 -0.39 -0.13 0.00 0.01 0.00 0.00 55.36 54.87 2jxa s GLN 125 Cb -0.13 -3.22 0.00 0.00 -1.01 0.00 0.00 33.01 28.65 2jxa s GLN 125 CO -0.06 0.17 0.48 1.52 0.01 0.00 0.00 175.29 177.41 2jxa s TYR 126 N 0.65 0.27 0.24 0.91 1.13 -0.43 -0.65 117.35 119.47 2jxa s TYR 126 Ca 0.03 -0.64 0.07 0.00 -1.41 0.00 0.00 57.07 55.12 2jxa s TYR 126 Cb -0.13 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.90 2jxa s TYR 126 CO 0.02 -0.97 -0.09 -0.51 -2.51 0.00 0.00 175.55 171.49 2jxa s ASP 127 N -2.99 2.57 -0.27 -0.18 1.01 -0.84 -2.02 116.67 113.95 2jxa s ASP 127 Ca 0.20 -1.11 -0.03 0.00 0.71 0.00 0.00 52.55 52.31 2jxa s ASP 127 Cb -0.01 -0.13 0.03 0.00 1.01 0.00 0.00 42.92 43.82 2jxa s ASP 127 CO 0.06 -0.28 -0.02 0.00 0.21 0.00 0.00 175.17 175.15 2jxa s VAL 129 N 1.35 3.11 0.57 0.00 -7.23 -0.74 -4.78 120.40 112.68 2jxa s VAL 129 Ca -0.01 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.09 2jxa s VAL 129 Cb -0.17 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2jxa s VAL 129 CO -0.02 -0.23 1.35 -2.84 -0.31 0.00 0.00 175.10 173.05 2jxa s PRO 130 N -3.17 2.97 0.00 4.82 0.02 -1.26 0.99 135.00 139.36 2jxa s PRO 130 Ca 0.27 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2jxa s PRO 130 Cb -0.07 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2jxa s PRO 130 CO 0.16 -1.32 0.00 0.98 -0.33 0.00 0.00 177.00 176.49 2jxa n TYR 131 N -1.27 0.00 0.00 6.54 9.36 -1.20 -4.70 117.16 125.90 2jxa n TYR 131 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2jxa n TYR 131 Cb 0.46 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 2jxa n TYR 131 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jxa n LYS 132 N 0.00 0.00 -3.44 2.98 4.81 -1.26 -4.98 118.16 116.27 2jxa n LYS 132 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 2jxa n LYS 132 Cb 0.00 -0.19 -0.06 0.00 0.02 0.00 0.00 35.03 34.80 2jxa n LYS 132 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jxa s VAL 133 N 0.00 4.95 0.00 3.15 0.11 -1.26 -5.26 120.40 122.09 2jxa s VAL 133 Ca 0.00 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 2jxa s VAL 133 Cb 0.00 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 2jxa s VAL 133 CO 0.00 0.26 0.00 -0.62 -3.33 0.00 0.00 175.10 171.41