#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa s LEU 30 N 0.00 3.29 0.26 0.99 1.02 -1.26 -4.08 118.68 118.90 2jxa s LEU 30 Ca 0.00 1.72 -0.30 0.00 0.02 0.00 0.00 54.13 55.56 2jxa s LEU 30 Cb 0.00 -4.51 -0.13 0.00 0.02 0.00 0.00 46.19 41.56 2jxa s LEU 30 CO 0.00 -1.35 1.36 -0.81 0.02 0.00 0.00 176.35 175.57 2jxa n PRO 31 N -2.66 2.00 0.00 1.29 -0.04 -1.26 -4.80 135.00 129.54 2jxa n PRO 31 Ca 0.08 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 2jxa n PRO 31 Cb 0.53 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2jxa n PRO 31 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jxa n PHE 32 N 1.47 0.00 -2.53 0.54 7.35 -1.26 -4.72 117.46 118.30 2jxa n PHE 32 Ca 0.10 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.73 2jxa n PHE 32 Cb 0.32 -0.02 0.01 0.00 0.35 0.00 0.00 39.48 40.14 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jxa n GLY 33 N 0.20 0.37 0.00 7.13 0.00 -1.26 -4.81 105.19 106.82 2jxa n GLY 33 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jxa n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jxa n LEU 34 N -1.41 0.00 -1.33 0.99 7.94 -1.26 -5.17 117.00 116.76 2jxa n LEU 34 Ca -0.03 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.96 2jxa n LEU 34 Cb 0.53 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.43 2jxa n LEU 34 CO 0.14 0.00 -0.51 0.80 -1.11 0.00 0.00 177.39 176.71 2jxa n MET 35 N -0.48 -3.27 -3.55 1.96 0.00 -1.26 -4.90 117.12 105.62 2jxa n MET 35 Ca 0.00 2.62 -0.32 0.00 -0.00 0.00 0.00 57.70 59.99 2jxa n MET 35 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 33.22 29.67 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2jxa s ARG 36 N -4.66 3.72 -0.14 2.12 0.52 -0.70 -4.97 118.95 114.84 2jxa s ARG 36 Ca 0.00 0.11 -0.09 0.00 -0.52 0.00 0.00 55.73 55.23 2jxa s ARG 36 Cb 0.00 -2.80 0.05 0.00 0.52 0.00 0.00 34.95 32.72 2jxa s ARG 36 CO 0.00 0.43 0.35 0.50 0.02 0.00 0.00 175.30 176.59 2jxa s ARG 37 N -2.56 0.34 0.05 3.54 3.52 -1.26 -1.63 118.95 120.94 2jxa s ARG 37 Ca 0.42 0.63 0.05 0.00 -0.13 0.00 0.00 55.73 56.71 2jxa s ARG 37 Cb -0.12 0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2jxa s ARG 37 CO 0.22 -0.13 -0.15 -1.21 -0.81 0.00 0.00 175.30 173.22 2jxa s GLU 38 N 1.05 0.98 -0.03 5.12 8.01 -0.75 -5.00 118.70 128.09 2jxa s GLU 38 Ca -0.07 -0.85 -0.03 0.00 0.01 0.00 0.00 54.97 54.03 2jxa s GLU 38 Cb -0.07 -1.02 0.01 0.00 -4.31 0.00 0.00 34.13 28.74 2jxa s GLU 38 CO -0.08 0.25 0.08 -1.17 0.01 0.00 0.00 175.26 174.35 2jxa s LEU 39 N -1.32 1.66 0.01 1.80 0.20 -1.26 -1.37 118.68 118.40 2jxa s LEU 39 Ca 0.02 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.99 2jxa s LEU 39 Cb -0.09 0.27 -0.01 0.00 -0.43 0.00 0.00 46.19 45.94 2jxa s LEU 39 CO 0.02 -0.03 0.01 0.00 -0.29 0.00 0.00 176.35 176.06 2jxa s ALA 40 N 0.08 -0.01 0.12 5.97 0.00 -0.92 -4.99 121.76 122.01 2jxa s ALA 40 Ca -0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 2jxa s ALA 40 Cb -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 2jxa s ALA 40 CO -0.00 -0.12 1.42 0.00 0.00 0.00 0.00 175.76 177.06 2jxa n GLU 42 N 3.98 0.62 0.00 0.00 2.13 -1.25 -2.23 120.64 123.90 2jxa n GLU 42 Ca 0.12 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2jxa n GLU 42 Cb 0.42 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.68 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 1.70 1.71 3.50 8.31 0.00 -0.97 -4.92 105.19 114.53 2jxa n GLY 43 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.33 2.57 0.41 1.61 2.02 -0.95 -4.80 117.35 115.87 2jxa s TYR 44 Ca 0.00 -0.25 -0.25 0.00 -0.37 0.00 0.00 57.07 56.20 2jxa s TYR 44 Cb 0.00 -1.36 -0.08 0.00 -0.40 0.00 0.00 41.96 40.12 2jxa s TYR 44 CO 0.00 0.39 1.24 -1.25 -1.57 0.00 0.00 175.55 174.36 2jxa s PRO 45 N -2.15 3.97 0.11 -1.71 0.04 -1.26 -2.06 135.00 131.95 2jxa s PRO 45 Ca 0.18 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2jxa s PRO 45 Cb -0.11 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2jxa s PRO 45 CO 0.11 -0.44 -0.17 -1.50 0.04 0.00 0.00 177.00 175.04 2jxa s ILE 46 N -1.33 2.93 -0.07 0.56 2.07 0.16 -4.91 121.20 120.62 2jxa s ILE 46 Ca 0.58 -1.45 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 2jxa s ILE 46 Cb -0.35 -2.35 0.01 0.00 0.13 0.00 0.00 42.46 39.91 2jxa s ILE 46 CO 0.44 0.11 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.77 2jxa s GLU 47 N -2.13 1.62 0.01 3.50 2.12 -1.26 -2.28 118.70 120.29 2jxa s GLU 47 Ca 0.18 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.20 2jxa s GLU 47 Cb -0.11 -1.38 -0.03 0.00 0.26 0.00 0.00 34.13 32.87 2jxa s GLU 47 CO 0.11 -0.01 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.14 2jxa s LEU 48 N 0.79 2.66 -0.15 2.70 1.43 -0.58 -4.99 118.68 120.54 2jxa s LEU 48 Ca -0.12 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 2jxa s LEU 48 Cb -0.15 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.57 2jxa s LEU 48 CO 0.02 0.28 0.36 -0.13 0.23 0.00 0.00 176.35 177.11 2jxa s ARG 49 N -1.23 0.33 0.02 1.70 0.52 -1.26 -2.15 118.95 116.88 2jxa s ARG 49 Ca 0.14 0.72 -0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2jxa s ARG 49 Cb -0.11 -0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.27 2jxa s ARG 49 CO 0.04 -0.16 0.27 0.00 0.02 0.00 0.00 175.30 175.47 2jxa s PRO 51 N -1.88 2.28 3.64 0.00 0.04 -1.26 -4.71 135.00 133.11 2jxa s PRO 51 Ca 0.29 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2jxa s PRO 51 Cb -0.13 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jxa s PRO 51 CO 0.18 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2jxa n GLY 52 N -0.95 2.98 1.33 0.56 0.00 -1.26 -1.69 105.19 106.16 2jxa n GLY 52 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 2.60 4.18 -4.86 1.61 3.41 -1.26 -5.01 113.62 114.30 2jxa n SER 53 Ca 0.00 -3.16 -0.29 0.00 -0.26 0.00 0.00 58.87 55.16 2jxa n SER 53 Cb 0.00 -0.62 0.10 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.65 4.32 0.06 4.04 1.01 -0.68 -3.96 116.67 119.81 2jxa s ASP 54 Ca 0.47 0.92 0.06 0.00 0.71 0.00 0.00 52.55 54.71 2jxa s ASP 54 Cb 0.38 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 2jxa s ASP 54 CO 0.10 -2.04 -0.17 0.68 0.21 0.00 0.00 175.17 173.95 2jxa s VAL 55 N -3.43 1.37 0.24 -1.27 -7.23 0.28 -4.29 120.40 106.08 2jxa s VAL 55 Ca 0.62 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 2jxa s VAL 55 Cb -0.12 -1.25 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 2jxa s VAL 55 CO 0.51 -0.03 1.31 -0.63 -0.31 0.00 0.00 175.10 175.95 2jxa s ILE 56 N -1.02 3.07 -0.32 -0.62 1.01 0.55 -2.26 121.20 121.60 2jxa s ILE 56 Ca 0.03 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.61 2jxa s ILE 56 Cb -0.09 -3.59 0.10 0.00 0.01 0.00 0.00 42.46 38.89 2jxa s ILE 56 CO 0.02 0.16 0.10 0.00 0.00 0.00 0.00 174.94 175.23 2jxa s MET 57 N -0.60 0.84 0.09 2.79 0.23 -0.05 -0.83 119.30 121.77 2jxa s MET 57 Ca 0.54 -1.23 -0.31 0.00 -1.03 0.00 0.00 55.69 53.67 2jxa s MET 57 Cb -0.37 -2.17 -0.09 0.00 -1.53 0.00 0.00 34.83 30.67 2jxa s MET 57 CO 0.42 -0.99 1.66 0.08 -2.03 0.00 0.00 175.02 174.16 2jxa s VAL 58 N 1.46 2.89 -0.25 5.16 1.01 -1.26 -2.43 120.40 126.98 2jxa s VAL 58 Ca 0.10 0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.36 2jxa s VAL 58 Cb -0.18 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.83 2jxa s VAL 58 CO -0.22 0.00 -0.34 -0.62 0.00 0.00 0.00 175.10 173.93 2jxa n GLU 59 N 5.33 0.55 -3.76 2.72 -0.58 -0.74 -4.96 120.64 119.20 2jxa n GLU 59 Ca 0.16 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 57.00 2jxa n GLU 59 Cb 0.40 -1.43 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 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 -7.17 -0.22 -0.07 1.62 0.01 -1.04 -5.04 114.94 103.03 2jxa s ASN 60 Ca -0.36 0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 51.67 2jxa s ASN 60 Cb 0.13 0.37 0.10 0.00 0.41 0.00 0.00 41.25 42.25 2jxa s ASN 60 CO 0.46 -0.41 0.84 0.00 -1.51 0.00 0.00 177.10 176.48 2jxa s ALA 61 N -1.12 -1.83 -0.02 0.60 0.00 -1.26 -0.70 121.76 117.42 2jxa s ALA 61 Ca -0.12 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 2jxa s ALA 61 Cb -0.05 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2jxa s ALA 61 CO 0.04 -0.43 0.34 1.21 0.00 0.00 0.00 175.76 176.92 2jxa s ASN 62 N -1.49 -0.24 -0.17 0.00 2.47 -0.61 -3.56 114.94 111.35 2jxa s ASN 62 Ca -0.04 0.18 0.01 0.00 0.42 0.00 0.00 52.86 53.43 2jxa s ASN 62 Cb -0.00 0.36 0.01 0.00 -1.45 0.00 0.00 41.25 40.16 2jxa s ASN 62 CO 0.02 -0.44 -0.18 -0.47 -3.72 0.00 0.00 177.10 172.30 2jxa s TYR 63 N -1.22 2.76 -0.35 0.43 5.04 -1.26 -1.84 117.35 120.92 2jxa s TYR 63 Ca -0.13 -1.38 0.00 0.00 -2.44 0.00 0.00 57.07 53.13 2jxa s TYR 63 Cb -0.05 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.36 2jxa s TYR 63 CO 0.04 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 174.00 2jxa n GLY 64 N 4.37 -0.35 3.17 8.97 0.00 -0.20 -3.16 105.19 117.98 2jxa n GLY 64 Ca -0.20 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 0.38 0.00 1.61 3.52 -0.93 0.18 118.95 121.72 2jxa s ARG 65 Ca 0.00 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 2jxa s ARG 65 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2jxa s ARG 65 CO 0.00 -0.42 0.83 0.25 -0.81 0.00 0.00 175.30 175.15 2jxa n THR 66 N 5.39 0.68 -3.75 4.11 -2.24 -1.26 -0.99 114.28 116.22 2jxa n THR 66 Ca -0.06 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 60.81 2jxa n THR 66 Cb 0.50 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.68 -0.09 0.00 3.42 2.15 -1.26 -4.80 116.67 115.41 2jxa s ASP 67 Ca 0.00 -0.33 0.07 0.00 0.43 0.00 0.00 52.55 52.73 2jxa s ASP 67 Cb 0.00 0.38 0.12 0.00 -0.30 0.00 0.00 42.92 43.12 2jxa s ASP 67 CO 0.00 -0.69 0.92 -0.90 -0.17 0.00 0.00 175.17 174.33 2jxa n ASP 68 N 0.26 2.05 -0.98 -0.34 5.68 -1.26 -4.50 116.55 117.46 2jxa n ASP 68 Ca -0.17 -1.61 0.09 0.00 -0.50 0.00 0.00 54.79 52.60 2jxa n ASP 68 Cb 0.61 -0.07 0.21 0.00 -1.14 0.00 0.00 41.12 40.73 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 0.32 2.46 -4.85 0.11 5.02 -1.26 -4.90 118.16 115.05 2jxa n LYS 69 Ca 0.06 -2.20 -0.33 0.00 -2.02 0.00 0.00 58.31 53.82 2jxa n LYS 69 Cb 0.27 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.15 3.11 -0.76 -0.18 -1.09 -1.26 -4.72 121.20 115.14 2jxa s ILE 70 Ca 0.34 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 58.06 2jxa s ILE 70 Cb 0.19 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 2jxa s ILE 70 CO 0.26 0.58 0.67 0.00 -1.23 0.00 0.00 174.94 175.21 2jxa n ASP 72 N -1.98 2.35 -0.57 0.00 5.68 -1.26 -4.92 116.55 115.85 2jxa n ASP 72 Ca -0.09 1.08 0.00 0.00 -0.50 0.00 0.00 54.79 55.28 2jxa n ASP 72 Cb 0.56 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 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 5.30 0.00 -1.77 2.12 0.00 -1.26 -5.13 120.51 119.77 2jxa n ALA 73 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 2jxa n ALA 73 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.03 6.37 0.39 0.00 -4.77 -1.26 -4.85 116.67 112.52 2jxa s ASP 74 Ca 0.00 2.50 0.15 0.00 -3.30 0.00 0.00 52.55 51.90 2jxa s ASP 74 Cb 0.00 -2.63 1.00 0.00 -1.09 0.00 0.00 42.92 40.21 2jxa s ASP 74 CO 0.00 -0.79 1.82 1.55 0.70 0.00 0.00 175.17 178.45 2jxa h PRO 75 N 2.61 0.48 -0.54 2.11 0.13 -2.00 -0.03 132.00 134.75 2jxa h PRO 75 Ca -0.49 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2jxa h PRO 75 Cb 1.24 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2jxa h PRO 75 CO 0.62 0.32 0.02 0.74 -0.23 0.00 0.00 178.00 179.47 2jxa h PHE 76 N 0.49 1.03 -0.01 1.56 -1.00 -1.96 0.48 116.94 117.53 2jxa h PHE 76 Ca 0.51 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 61.12 2jxa h PHE 76 Cb 1.15 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.44 2jxa h PHE 76 CO -0.00 0.93 -0.08 1.04 -1.61 0.00 0.00 178.31 178.59 2jxa n GLN 77 N -4.29 1.12 0.00 1.51 6.02 -0.55 -3.43 117.38 117.76 2jxa n GLN 77 Ca 0.02 -0.52 0.05 0.00 -0.01 0.00 0.00 57.00 56.55 2jxa n GLN 77 Cb 0.32 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 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 -0.49 2.58 -0.10 -1.09 2.81 -0.13 -0.37 117.12 120.33 2jxa n MET 78 Ca 0.17 -0.39 -0.10 0.00 -1.81 0.00 0.00 57.70 55.56 2jxa n MET 78 Cb 0.29 -1.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 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 0.76 0.51 -6.30 0.03 5.08 -0.09 -3.41 114.58 111.16 2jxa h GLU 79 Ca 0.00 -0.14 -0.57 0.00 -1.00 0.00 0.00 59.36 57.65 2jxa h GLU 79 Cb 0.33 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2jxa h GLU 79 CO 0.00 0.61 0.93 1.21 -1.00 0.00 0.00 179.01 180.76 2jxa s ASN 80 N -5.94 6.79 -0.35 1.42 2.47 -1.26 -4.89 114.94 113.18 2jxa s ASN 80 Ca -0.13 1.25 0.07 0.00 0.42 0.00 0.00 52.86 54.47 2jxa s ASN 80 Cb 0.09 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.89 2jxa s ASN 80 CO 0.75 -0.97 1.60 1.33 -3.72 0.00 0.00 177.10 176.09 2jxa n VAL 81 N 5.98 2.78 -3.41 -5.21 0.24 -1.26 -4.76 118.33 112.69 2jxa n VAL 81 Ca 0.14 -2.62 -0.26 0.00 -2.04 0.00 0.00 64.34 59.56 2jxa n VAL 81 Cb 0.46 -0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 32.30 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 -3.31 0.68 -0.11 7.34 -1.52 -0.96 -4.17 119.66 117.61 2jxa s GLN 82 Ca 0.49 -1.52 -0.04 0.00 -1.95 0.00 0.00 55.36 52.34 2jxa s GLN 82 Cb 0.43 -1.24 0.06 0.00 -0.22 0.00 0.00 33.01 32.04 2jxa s GLN 82 CO 0.03 -1.27 0.23 0.00 -0.25 0.00 0.00 175.29 174.03 2jxa s TYR 84 N 2.38 1.11 -0.37 0.00 1.51 -1.26 -2.18 117.35 118.53 2jxa s TYR 84 Ca 0.02 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2jxa s TYR 84 Cb -0.12 -0.60 0.15 0.00 -0.11 0.00 0.00 41.96 41.28 2jxa s TYR 84 CO -0.08 0.02 0.30 -1.17 -1.11 0.00 0.00 175.55 173.52 2jxa s LEU 85 N -2.37 0.60 0.23 -1.29 2.96 -1.19 -4.87 118.68 112.75 2jxa s LEU 85 Ca 0.05 -2.10 -0.10 0.00 -0.22 0.00 0.00 54.13 51.76 2jxa s LEU 85 Cb -0.04 0.00 0.36 0.00 0.50 0.00 0.00 46.19 47.01 2jxa s LEU 85 CO 0.01 -0.26 1.63 -0.65 -1.32 0.00 0.00 176.35 175.76 2jxa h PRO 86 N 6.75 0.06 -0.02 0.98 0.11 -1.92 0.12 132.00 138.09 2jxa h PRO 86 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2jxa h PRO 86 Cb 0.99 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jxa h PRO 86 CO 0.25 0.04 0.09 -0.44 -0.21 0.00 0.00 178.00 177.73 2jxa h ASP 87 N 0.06 0.00 -0.88 -2.05 3.32 -1.96 -2.05 116.42 112.87 2jxa h ASP 87 Ca 0.37 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.59 2jxa h ASP 87 Cb 0.62 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 2jxa h ASP 87 CO -0.66 0.00 0.57 0.00 -1.72 0.00 0.00 179.24 177.43 2jxa h ALA 88 N 1.83 2.00 -0.71 3.45 0.00 -1.05 -0.40 119.26 124.39 2jxa h ALA 88 Ca 0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2jxa h ALA 88 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2jxa h ALA 88 CO -0.00 -0.26 0.19 0.35 0.00 0.00 0.00 179.25 179.53 2jxa h PHE 89 N 0.55 1.16 -0.69 0.00 3.57 -1.42 -2.70 116.94 117.42 2jxa h PHE 89 Ca 0.45 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 2jxa h PHE 89 Cb 0.92 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2jxa h PHE 89 CO -0.00 0.94 0.19 1.57 -2.23 0.00 0.00 178.31 178.78 2jxa h LYS 90 N 1.05 1.08 -0.21 1.11 2.10 -1.24 -0.73 116.57 119.74 2jxa h LYS 90 Ca 0.22 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2jxa h LYS 90 Cb 0.34 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2jxa h LYS 90 CO -0.00 0.95 0.13 0.82 -2.00 0.00 0.00 179.45 179.35 2jxa h ILE 91 N 1.02 1.06 -0.37 0.07 2.04 -1.31 -1.90 117.51 118.12 2jxa h ILE 91 Ca 0.22 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 2jxa h ILE 91 Cb 0.33 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jxa h ILE 91 CO -0.00 0.06 -0.35 0.24 0.00 0.00 0.00 178.15 178.10 2jxa h MET 92 N 0.27 0.85 -0.63 2.37 2.86 -1.35 -2.40 114.93 116.90 2jxa h MET 92 Ca 0.08 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2jxa h MET 92 Cb -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2jxa h MET 92 CO -0.02 1.07 0.38 0.77 1.06 0.00 0.00 176.91 180.17 2jxa h SER 93 N 0.71 0.76 -0.39 1.22 0.02 -0.98 0.11 113.55 115.00 2jxa h SER 93 Ca 0.07 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2jxa h SER 93 Cb 0.92 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2jxa h SER 93 CO 0.08 0.59 -0.10 1.56 -1.14 0.00 0.00 176.83 177.83 2jxa h GLN 94 N 0.86 0.83 -0.01 3.45 4.20 -1.29 0.42 115.11 123.57 2jxa h GLN 94 Ca 0.23 -0.27 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 2jxa h GLN 94 Cb -0.03 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2jxa h GLN 94 CO -0.04 0.89 -0.85 0.00 -0.67 0.00 0.00 178.83 178.16 2jxa h ARG 95 N 0.75 0.23 0.00 1.46 3.08 -0.97 -3.37 114.38 115.55 2jxa h ARG 95 Ca 0.13 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2jxa h ARG 95 Cb 0.59 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2jxa h ARG 95 CO 0.04 0.95 -0.96 0.00 -1.07 0.00 0.00 179.97 178.92 2jxa n ASN 97 N -1.54 3.79 -0.55 0.00 4.13 0.15 -1.94 115.26 119.30 2jxa n ASN 97 Ca -0.00 1.18 -0.07 0.00 1.68 0.00 0.00 54.58 57.37 2jxa n ASN 97 Cb 0.16 -1.60 -0.03 0.00 -1.54 0.00 0.00 39.78 36.77 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jxa n ASN 98 N 1.43 -4.99 -4.40 6.41 4.13 -0.01 -4.95 115.26 112.87 2jxa n ASN 98 Ca 0.05 0.18 -0.29 0.00 1.68 0.00 0.00 54.58 56.20 2jxa n ASN 98 Cb 0.37 -3.12 -0.13 0.00 -1.54 0.00 0.00 39.78 35.36 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 -2.31 1.49 0.24 3.52 0.52 -0.82 -4.80 118.95 116.80 2jxa s ARG 99 Ca 0.00 -1.30 0.04 0.00 -0.52 0.00 0.00 55.73 53.95 2jxa s ARG 99 Cb 0.00 -1.94 0.27 0.00 0.52 0.00 0.00 34.95 33.80 2jxa s ARG 99 CO 0.00 0.46 1.58 1.15 0.02 0.00 0.00 175.30 178.51 2jxa h THR 100 N 3.87 1.37 -3.12 0.02 2.02 -1.86 1.61 112.91 116.82 2jxa h THR 100 Ca -0.50 -1.90 -0.06 0.00 0.77 0.00 0.00 66.41 64.71 2jxa h THR 100 Cb 1.17 1.94 -0.15 0.00 -1.74 0.00 0.00 68.15 69.37 2jxa h THR 100 CO 0.40 0.56 -0.05 0.00 0.37 0.00 0.00 175.52 176.80 2jxa s GLN 101 N -3.83 1.01 -0.02 6.66 1.03 -1.26 0.06 119.66 123.31 2jxa s GLN 101 Ca -0.04 -0.47 -0.23 0.00 0.04 0.00 0.00 55.36 54.66 2jxa s GLN 101 Cb 0.12 0.45 0.05 0.00 0.03 0.00 0.00 33.01 33.66 2jxa s GLN 101 CO 0.80 -0.37 0.49 0.00 -2.54 0.00 0.00 175.29 173.66 2jxa s VAL 103 N -1.39 0.94 -0.03 0.00 1.01 -1.26 -1.53 120.40 118.14 2jxa s VAL 103 Ca -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2jxa s VAL 103 Cb -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2jxa s VAL 103 CO 0.06 0.32 0.12 -0.69 0.00 0.00 0.00 175.10 174.91 2jxa s VAL 104 N 0.83 0.03 -0.26 2.92 1.01 -0.97 -4.94 120.40 119.03 2jxa s VAL 104 Ca -0.12 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2jxa s VAL 104 Cb -0.15 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.97 2jxa s VAL 104 CO 0.02 -0.15 1.10 -0.69 0.00 0.00 0.00 175.10 175.37 2jxa s VAL 105 N -0.48 4.53 0.00 2.92 1.01 -1.26 -0.67 120.40 126.46 2jxa s VAL 105 Ca -0.06 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 2jxa s VAL 105 Cb -0.04 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 2jxa s VAL 105 CO 0.00 -0.30 1.71 0.00 0.00 0.00 0.00 175.10 176.52 2jxa n ALA 106 N 6.63 3.56 0.00 5.51 0.00 -0.87 -4.59 120.51 130.75 2jxa n ALA 106 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2jxa n ALA 106 Cb 0.46 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 2.06 -0.42 3.30 0.00 0.00 -1.26 -2.28 105.19 106.59 2jxa n GLY 107 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.35 113.62 116.50 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 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.89 0.00 0.07 -3.46 9.92 -1.26 -1.84 116.55 118.10 2jxa n ASP 109 Ca 0.00 0.49 0.13 0.00 -0.53 0.00 0.00 54.79 54.88 2jxa n ASP 109 Cb 0.00 -0.49 0.47 0.00 -0.64 0.00 0.00 41.12 40.45 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 -1.49 2.13 -3.73 2.24 0.00 -0.22 -4.68 120.51 114.75 2jxa n ALA 110 Ca 0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2jxa n ALA 110 Cb 0.08 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.11 0.13 0.00 0.00 0.40 0.52 -4.86 117.98 111.07 2jxa s PHE 111 Ca 0.10 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 2jxa s PHE 111 Cb 0.13 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.29 2jxa s PHE 111 CO 0.51 -0.14 0.00 -2.30 0.70 0.00 0.00 175.22 173.99 2jxa n PRO 112 N 4.56 2.29 -3.54 0.24 -0.02 -1.26 -4.64 135.00 132.63 2jxa n PRO 112 Ca -0.19 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.00 2jxa n PRO 112 Cb 0.50 0.00 -0.12 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 -2.44 3.12 0.25 2.55 2.15 -1.26 -4.98 116.67 116.07 2jxa s ASP 113 Ca 0.00 -2.37 0.13 0.00 0.43 0.00 0.00 52.55 50.74 2jxa s ASP 113 Cb 0.00 -0.61 0.09 0.00 -0.30 0.00 0.00 42.92 42.11 2jxa s ASP 113 CO 0.00 -0.29 1.45 1.55 -0.17 0.00 0.00 175.17 177.71 2jxa h PRO 114 N 6.85 0.00 -1.13 4.34 0.13 -1.92 -3.43 132.00 136.85 2jxa h PRO 114 Ca 0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2jxa h PRO 114 Cb 0.95 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.86 2jxa h PRO 114 CO 0.34 0.62 -0.43 0.00 -0.23 0.00 0.00 178.00 178.29 2jxa s PRO 116 N 2.49 4.65 0.00 0.00 0.04 -1.26 -3.71 135.00 137.22 2jxa s PRO 116 Ca 0.12 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2jxa s PRO 116 Cb -0.09 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2jxa s PRO 116 CO -0.21 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2jxa n GLY 117 N 1.46 0.55 3.40 0.56 0.00 -1.26 -5.08 105.19 104.83 2jxa n GLY 117 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.12 2.44 -0.70 2.61 2.01 -1.24 -4.33 115.64 114.31 2jxa s THR 118 Ca 0.00 -1.38 -0.22 0.00 0.31 0.00 0.00 61.69 60.40 2jxa s THR 118 Cb 0.00 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.58 2jxa s THR 118 CO 0.00 0.30 0.99 -0.47 -0.69 0.00 0.00 174.62 174.75 2jxa s TYR 119 N -0.91 2.72 0.00 4.92 5.04 0.50 -5.00 117.35 124.63 2jxa s TYR 119 Ca 0.13 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 2jxa s TYR 119 Cb -0.10 -4.30 0.00 0.00 0.35 0.00 0.00 41.96 37.91 2jxa s TYR 119 CO 0.04 -1.64 0.00 1.63 -1.34 0.00 0.00 175.55 174.25 2jxa n LYS 120 N 7.59 1.56 -3.72 4.97 5.02 -1.26 -4.79 118.16 127.53 2jxa n LYS 120 Ca -0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2jxa n LYS 120 Cb 0.46 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 0.00 -0.03 -0.09 2.13 -0.85 0.47 -3.77 117.35 115.21 2jxa s TYR 121 Ca 0.00 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.44 2jxa s TYR 121 Cb 0.00 0.56 0.02 0.00 0.38 0.00 0.00 41.96 42.93 2jxa s TYR 121 CO 0.00 -0.34 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.45 2jxa s LEU 122 N -3.18 1.20 -0.12 -3.49 2.96 -0.94 -1.03 118.68 114.07 2jxa s LEU 122 Ca 0.18 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2jxa s LEU 122 Cb 0.03 -0.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 2jxa s LEU 122 CO -0.02 -0.10 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.02 2jxa s GLU 123 N 1.50 3.19 -0.07 1.98 2.12 -0.77 -2.18 118.70 124.48 2jxa s GLU 123 Ca 0.00 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.54 2jxa s GLU 123 Cb -0.13 -2.48 0.03 0.00 0.26 0.00 0.00 34.13 31.80 2jxa s GLU 123 CO -0.05 0.15 -0.02 0.08 -0.54 0.00 0.00 175.26 174.87 2jxa s VAL 124 N 0.47 0.50 -0.15 3.70 1.01 -0.47 -1.58 120.40 123.88 2jxa s VAL 124 Ca -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2jxa s VAL 124 Cb -0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2jxa s VAL 124 CO 0.05 0.26 -0.08 -1.10 0.00 0.00 0.00 175.10 174.24 2jxa s GLN 125 N 1.66 3.55 0.31 2.72 -0.21 0.12 -1.80 119.66 126.01 2jxa s GLN 125 Ca 0.01 -0.59 -0.14 0.00 0.02 0.00 0.00 55.36 54.66 2jxa s GLN 125 Cb -0.13 -2.80 0.02 0.00 1.00 0.00 0.00 33.01 31.11 2jxa s GLN 125 CO -0.04 0.22 0.62 1.52 -2.12 0.00 0.00 175.29 175.50 2jxa s TYR 126 N 0.37 0.28 0.24 0.91 -0.85 -0.65 -1.79 117.35 115.87 2jxa s TYR 126 Ca -0.07 -0.73 0.06 0.00 -0.52 0.00 0.00 57.07 55.81 2jxa s TYR 126 Cb -0.15 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 2jxa s TYR 126 CO 0.04 -1.24 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.25 2jxa s ASP 127 N -3.05 2.42 -0.31 -0.18 1.01 -1.02 -1.71 116.67 113.82 2jxa s ASP 127 Ca 0.19 -1.14 -0.02 0.00 0.71 0.00 0.00 52.55 52.29 2jxa s ASP 127 Cb -0.03 -0.11 0.05 0.00 1.01 0.00 0.00 42.92 43.85 2jxa s ASP 127 CO 0.11 -0.34 0.03 0.00 0.21 0.00 0.00 175.17 175.18 2jxa s VAL 129 N 1.26 2.58 0.49 0.00 -7.23 -0.96 -4.03 120.40 112.51 2jxa s VAL 129 Ca -0.03 -1.75 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 2jxa s VAL 129 Cb -0.20 -2.95 -0.07 0.00 0.56 0.00 0.00 36.38 33.72 2jxa s VAL 129 CO -0.01 -0.09 1.33 -2.84 -0.31 0.00 0.00 175.10 173.18 2jxa s PRO 130 N -3.85 3.49 0.00 4.82 0.02 -1.26 -0.55 135.00 137.67 2jxa s PRO 130 Ca 0.39 2.18 0.13 0.00 0.02 0.00 0.00 61.00 63.71 2jxa s PRO 130 Cb 0.01 -2.44 0.77 0.00 0.02 0.00 0.00 34.50 32.86 2jxa s PRO 130 CO 0.22 -0.89 1.33 0.98 -0.33 0.00 0.00 177.00 178.31 2jxa n TYR 131 N -0.58 0.00 -3.18 6.54 9.36 -1.25 -4.65 117.16 123.39 2jxa n TYR 131 Ca 0.08 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.90 2jxa n TYR 131 Cb 0.45 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.09 2jxa n TYR 131 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2jxa s LYS 132 N -2.00 4.12 0.10 2.98 2.36 -1.26 -5.05 119.74 120.99 2jxa s LYS 132 Ca 0.19 0.45 -0.20 0.00 -2.55 0.00 0.00 55.97 53.86 2jxa s LYS 132 Cb 0.09 -3.63 -0.07 0.00 -1.05 0.00 0.00 37.83 33.17 2jxa s LYS 132 CO 0.15 -0.33 0.61 0.54 1.55 0.00 0.00 175.35 177.87 2jxa s VAL 133 N 2.22 4.68 0.00 4.02 0.11 -1.26 -5.18 120.40 124.99 2jxa s VAL 133 Ca 0.24 1.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.55 2jxa s VAL 133 Cb -0.16 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2jxa s VAL 133 CO 0.09 0.50 0.00 1.21 -3.33 0.00 0.00 175.10 173.57