#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 2.65 -4.77 0.99 4.77 -1.26 -5.10 117.00 114.29 2jxa n LEU 30 Ca 0.00 -5.18 -0.40 0.00 -0.03 0.00 0.00 56.01 50.40 2jxa n LEU 30 Cb 0.00 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 2jxa n LEU 30 CO 0.00 1.98 0.94 -2.16 -1.33 0.00 0.00 177.39 176.81 2jxa s PRO 31 N -1.83 4.35 0.00 3.23 0.04 -1.26 -4.90 135.00 134.63 2jxa s PRO 31 Ca 0.35 2.12 0.30 0.00 0.04 0.00 0.00 61.00 63.81 2jxa s PRO 31 Cb 0.10 -3.03 1.78 0.00 0.04 0.00 0.00 34.50 33.39 2jxa s PRO 31 CO -0.08 -0.16 2.11 0.34 0.04 0.00 0.00 177.00 179.25 2jxa n PHE 32 N 0.75 0.00 -1.40 0.56 7.35 -1.26 -4.85 117.46 118.61 2jxa n PHE 32 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 2jxa n PHE 32 Cb 0.43 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.24 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 0.87 0.56 3.58 7.13 0.00 -1.26 -5.01 105.19 111.07 2jxa n GLY 33 Ca 0.22 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 2jxa n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jxa s LEU 34 N -1.05 -0.96 0.39 0.99 0.20 -1.26 -5.12 118.68 111.87 2jxa s LEU 34 Ca 0.00 1.34 0.00 0.00 0.69 0.00 0.00 54.13 56.16 2jxa s LEU 34 Cb 0.00 2.12 0.00 0.00 -0.43 0.00 0.00 46.19 47.88 2jxa s LEU 34 CO 0.00 -0.19 0.00 0.80 -0.29 0.00 0.00 176.35 176.67 2jxa n MET 35 N 5.16 -3.88 -3.78 1.98 1.56 -1.26 -4.94 117.12 111.95 2jxa n MET 35 Ca -0.12 2.86 -0.31 0.00 -0.27 0.00 0.00 57.70 59.86 2jxa n MET 35 Cb 0.51 -3.32 -0.04 0.00 2.15 0.00 0.00 33.22 32.52 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2jxa s ARG 36 N -2.89 3.53 -0.09 2.12 0.52 -0.84 -4.81 118.95 116.49 2jxa s ARG 36 Ca 0.00 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 54.84 2jxa s ARG 36 Cb 0.00 -2.93 0.03 0.00 0.52 0.00 0.00 34.95 32.57 2jxa s ARG 36 CO 0.00 0.52 0.27 0.50 0.02 0.00 0.00 175.30 176.62 2jxa s ARG 37 N -2.67 0.35 0.04 3.54 3.52 -1.26 -1.72 118.95 120.74 2jxa s ARG 37 Ca 0.38 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 56.34 2jxa s ARG 37 Cb -0.12 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.42 2jxa s ARG 37 CO 0.27 -0.05 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.35 2jxa s GLU 38 N -0.02 0.94 -0.01 5.12 0.41 -0.82 -4.99 118.70 119.34 2jxa s GLU 38 Ca -0.02 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 2jxa s GLU 38 Cb -0.02 -0.94 0.01 0.00 -1.78 0.00 0.00 34.13 31.39 2jxa s GLU 38 CO 0.01 0.23 -0.00 -1.17 -0.49 0.00 0.00 175.26 173.84 2jxa s LEU 39 N -1.12 1.82 0.00 1.80 0.20 -1.26 -0.92 118.68 119.20 2jxa s LEU 39 Ca 0.02 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.82 2jxa s LEU 39 Cb -0.08 -0.06 -0.01 0.00 -0.43 0.00 0.00 46.19 45.62 2jxa s LEU 39 CO 0.01 -0.02 0.01 0.00 -0.29 0.00 0.00 176.35 176.07 2jxa s ALA 40 N 0.20 -0.01 0.16 5.97 0.00 -0.67 -4.98 121.76 122.43 2jxa s ALA 40 Ca -0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.46 2jxa s ALA 40 Cb -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 2jxa s ALA 40 CO -0.01 -0.08 1.51 0.00 0.00 0.00 0.00 175.76 177.19 2jxa n GLU 42 N 3.83 0.19 -0.23 0.00 2.13 -1.07 -1.93 120.64 123.56 2jxa n GLU 42 Ca 0.13 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2jxa n GLU 42 Cb 0.40 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.84 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 1.82 0.88 3.53 8.31 0.00 -0.50 -4.91 105.19 114.33 2jxa n GLY 43 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.61 2.58 0.31 1.61 1.51 -0.82 -4.73 117.35 115.20 2jxa s TYR 44 Ca 0.00 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 2jxa s TYR 44 Cb 0.00 -1.30 -0.10 0.00 -0.11 0.00 0.00 41.96 40.45 2jxa s TYR 44 CO 0.00 0.46 1.22 -1.25 -1.11 0.00 0.00 175.55 174.88 2jxa s PRO 45 N -2.53 4.47 0.08 -1.71 0.04 -1.26 0.09 135.00 134.17 2jxa s PRO 45 Ca 0.22 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.38 2jxa s PRO 45 Cb -0.09 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2jxa s PRO 45 CO 0.13 -0.03 -0.16 -1.50 0.04 0.00 0.00 177.00 175.48 2jxa s ILE 46 N -1.13 2.98 -0.08 0.56 2.07 0.15 -4.87 121.20 120.89 2jxa s ILE 46 Ca 0.47 -1.28 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 2jxa s ILE 46 Cb -0.37 -2.33 0.01 0.00 0.13 0.00 0.00 42.46 39.91 2jxa s ILE 46 CO 0.48 0.21 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.88 2jxa s GLU 47 N -1.83 1.99 -0.05 3.50 2.12 -1.26 -1.96 118.70 121.20 2jxa s GLU 47 Ca 0.17 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2jxa s GLU 47 Cb -0.11 -1.62 -0.02 0.00 0.26 0.00 0.00 34.13 32.64 2jxa s GLU 47 CO 0.09 0.03 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.16 2jxa s LEU 48 N 0.68 2.53 -0.07 2.70 1.43 -0.53 -4.98 118.68 120.43 2jxa s LEU 48 Ca -0.14 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2jxa s LEU 48 Cb -0.16 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jxa s LEU 48 CO 0.04 0.32 0.16 -0.13 0.23 0.00 0.00 176.35 176.97 2jxa s ARG 49 N -0.58 0.13 -0.13 1.70 0.52 -1.26 -1.52 118.95 117.81 2jxa s ARG 49 Ca 0.08 0.35 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 2jxa s ARG 49 Cb -0.11 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 2jxa s ARG 49 CO 0.01 -0.13 0.13 0.00 0.02 0.00 0.00 175.30 175.33 2jxa s PRO 51 N -0.87 2.77 4.38 0.00 0.04 -1.26 -4.70 135.00 135.36 2jxa s PRO 51 Ca 0.14 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2jxa s PRO 51 Cb -0.12 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2jxa s PRO 51 CO 0.03 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2jxa n GLY 52 N -1.22 2.61 1.81 0.56 0.00 -1.26 -1.81 105.19 105.87 2jxa n GLY 52 Ca 0.09 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 0.76 4.33 -4.86 1.61 3.41 -1.26 -4.98 113.62 112.62 2jxa n SER 53 Ca 0.00 -3.32 -0.30 0.00 -0.26 0.00 0.00 58.87 54.99 2jxa n SER 53 Cb 0.00 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.28 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 -1.36 5.24 0.06 4.04 1.01 -0.75 -1.57 116.67 123.33 2jxa s ASP 54 Ca 0.53 1.21 0.07 0.00 0.71 0.00 0.00 52.55 55.07 2jxa s ASP 54 Cb 0.43 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 2jxa s ASP 54 CO 0.11 -1.48 -0.20 0.68 0.21 0.00 0.00 175.17 174.49 2jxa s VAL 55 N -3.29 1.59 0.21 -1.27 -7.23 0.44 -4.34 120.40 106.50 2jxa s VAL 55 Ca 0.59 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 2jxa s VAL 55 Cb -0.12 -1.40 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 2jxa s VAL 55 CO 0.53 0.11 1.32 -0.63 -0.31 0.00 0.00 175.10 176.11 2jxa s ILE 56 N -0.90 3.16 -0.34 -0.62 1.01 0.44 -2.24 121.20 121.71 2jxa s ILE 56 Ca 0.06 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.68 2jxa s ILE 56 Cb -0.09 -3.62 0.11 0.00 0.01 0.00 0.00 42.46 38.87 2jxa s ILE 56 CO 0.02 0.15 0.12 0.00 0.00 0.00 0.00 174.94 175.23 2jxa s MET 57 N -0.19 0.97 0.11 2.79 0.23 -0.15 -0.82 119.30 122.25 2jxa s MET 57 Ca 0.56 -1.42 -0.31 0.00 -1.03 0.00 0.00 55.69 53.50 2jxa s MET 57 Cb -0.37 -2.27 -0.10 0.00 -1.53 0.00 0.00 34.83 30.56 2jxa s MET 57 CO 0.39 -1.02 1.78 0.08 -2.03 0.00 0.00 175.02 174.22 2jxa s VAL 58 N 1.21 2.67 -0.26 5.16 1.01 -1.26 -2.40 120.40 126.53 2jxa s VAL 58 Ca 0.12 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 2jxa s VAL 58 Cb -0.19 -3.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 2jxa s VAL 58 CO -0.17 -0.00 -0.33 -0.62 0.00 0.00 0.00 175.10 173.98 2jxa n GLU 59 N 5.63 0.55 -3.70 2.72 -0.58 0.20 -4.96 120.64 120.50 2jxa n GLU 59 Ca 0.17 0.24 -0.14 0.00 -0.42 0.00 0.00 57.16 57.01 2jxa n GLU 59 Cb 0.39 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 29.76 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 -7.32 -0.30 -0.10 1.62 0.01 -1.04 -5.02 114.94 102.78 2jxa s ASN 60 Ca -0.36 0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.69 2jxa s ASN 60 Cb 0.14 0.37 0.12 0.00 0.41 0.00 0.00 41.25 42.29 2jxa s ASN 60 CO 0.46 -0.51 1.00 0.00 -1.51 0.00 0.00 177.10 176.54 2jxa s ALA 61 N -1.45 -1.92 0.10 0.60 0.00 -1.26 0.07 121.76 117.91 2jxa s ALA 61 Ca -0.12 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 2jxa s ALA 61 Cb -0.03 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.01 2jxa s ALA 61 CO 0.05 -0.54 0.33 1.21 0.00 0.00 0.00 175.76 176.81 2jxa s ASN 62 N -1.95 -0.13 -0.16 0.00 2.47 -0.77 -3.80 114.94 110.60 2jxa s ASN 62 Ca 0.04 -0.36 0.01 0.00 0.42 0.00 0.00 52.86 52.97 2jxa s ASN 62 Cb -0.01 0.42 0.02 0.00 -1.45 0.00 0.00 41.25 40.23 2jxa s ASN 62 CO -0.05 -0.77 -0.16 -0.47 -3.72 0.00 0.00 177.10 171.93 2jxa s TYR 63 N -3.51 2.36 -0.21 0.43 6.14 -1.25 -1.85 117.35 119.45 2jxa s TYR 63 Ca 0.02 -1.35 0.00 0.00 0.64 0.00 0.00 57.07 56.38 2jxa s TYR 63 Cb 0.02 -1.70 0.00 0.00 0.42 0.00 0.00 41.96 40.70 2jxa s TYR 63 CO -0.10 -0.71 0.00 0.41 0.64 0.00 0.00 175.55 175.80 2jxa n GLY 64 N 4.69 -0.43 3.45 8.97 0.00 -0.26 -2.99 105.19 118.62 2jxa n GLY 64 Ca -0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 0.50 0.00 1.61 3.52 -0.92 0.90 118.95 122.55 2jxa s ARG 65 Ca 0.00 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 2jxa s ARG 65 Cb 0.00 0.63 0.00 0.00 -1.56 0.00 0.00 34.95 34.02 2jxa s ARG 65 CO 0.00 -0.29 0.73 0.25 -0.81 0.00 0.00 175.30 175.18 2jxa n THR 66 N 5.43 0.53 -3.85 4.11 -2.24 -1.26 -0.85 114.28 116.15 2jxa n THR 66 Ca -0.09 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 2jxa n THR 66 Cb 0.49 0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.53 0.03 0.00 3.42 2.15 -1.26 -4.78 116.67 115.70 2jxa s ASP 67 Ca 0.00 -0.34 0.07 0.00 0.43 0.00 0.00 52.55 52.71 2jxa s ASP 67 Cb 0.00 0.28 0.10 0.00 -0.30 0.00 0.00 42.92 43.00 2jxa s ASP 67 CO 0.00 -0.53 0.86 -0.90 -0.17 0.00 0.00 175.17 174.43 2jxa n ASP 68 N 0.79 1.89 -0.89 -0.34 5.68 -1.26 -4.44 116.55 117.98 2jxa n ASP 68 Ca -0.19 -1.51 0.09 0.00 -0.50 0.00 0.00 54.79 52.68 2jxa n ASP 68 Cb 0.58 -0.05 0.16 0.00 -1.14 0.00 0.00 41.12 40.68 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 0.31 2.13 -4.63 0.11 5.02 -1.26 -4.85 118.16 115.00 2jxa n LYS 69 Ca 0.05 -1.98 -0.34 0.00 -2.02 0.00 0.00 58.31 54.02 2jxa n LYS 69 Cb 0.23 -1.40 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.29 3.62 -0.99 -0.18 -1.09 -1.26 -4.63 121.20 115.38 2jxa s ILE 70 Ca 0.29 -0.50 -0.09 0.00 -2.23 0.00 0.00 60.65 58.13 2jxa s ILE 70 Cb 0.18 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2jxa s ILE 70 CO 0.25 0.58 0.82 0.00 -1.23 0.00 0.00 174.94 175.35 2jxa n ASP 72 N -2.69 1.80 -0.68 0.00 2.03 -1.26 -4.92 116.55 110.82 2jxa n ASP 72 Ca -0.07 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2jxa n ASP 72 Cb 0.59 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 4.55 0.00 -1.82 -1.67 0.00 -1.26 -5.11 120.51 115.19 2jxa n ALA 73 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 2jxa n ALA 73 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.35 6.49 0.42 0.00 1.47 -1.26 -4.84 116.67 118.59 2jxa s ASP 74 Ca 0.00 2.80 0.18 0.00 1.18 0.00 0.00 52.55 56.71 2jxa s ASP 74 Cb 0.00 -2.62 1.10 0.00 -0.34 0.00 0.00 42.92 41.06 2jxa s ASP 74 CO 0.00 -0.84 1.85 1.55 0.68 0.00 0.00 175.17 178.41 2jxa h PRO 75 N 5.48 0.37 -0.59 2.11 0.13 -1.99 0.24 132.00 137.75 2jxa h PRO 75 Ca -0.45 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2jxa h PRO 75 Cb 1.21 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2jxa h PRO 75 CO 0.83 0.25 0.22 0.74 -0.23 0.00 0.00 178.00 179.81 2jxa h PHE 76 N 0.39 0.87 0.00 1.56 -1.00 -1.98 0.27 116.94 117.06 2jxa h PHE 76 Ca 0.48 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2jxa h PHE 76 Cb 1.22 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.51 2jxa h PHE 76 CO -0.00 0.68 -0.01 1.96 -1.61 0.00 0.00 178.31 179.33 2jxa h GLN 77 N 0.85 0.00 -0.12 1.51 4.20 -1.22 -3.20 115.11 117.14 2jxa h GLN 77 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2jxa h GLN 77 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2jxa h GLN 77 CO -0.02 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.81 2jxa n MET 78 N -2.76 2.08 -0.06 1.46 2.81 -0.47 -2.06 117.12 118.13 2jxa n MET 78 Ca 0.05 -1.88 -0.10 0.00 -1.81 0.00 0.00 57.70 53.95 2jxa n MET 78 Cb 0.49 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 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 4.15 0.30 -6.39 0.03 4.39 -0.50 -3.41 114.58 113.15 2jxa h GLU 79 Ca 0.00 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 59.09 2jxa h GLU 79 Cb 0.90 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.42 2jxa h GLU 79 CO 0.00 0.30 0.84 1.21 -1.16 0.00 0.00 179.01 180.20 2jxa s ASN 80 N -5.53 6.82 -0.49 1.42 2.47 -1.26 -4.91 114.94 113.46 2jxa s ASN 80 Ca -0.13 0.83 0.03 0.00 0.42 0.00 0.00 52.86 54.00 2jxa s ASN 80 Cb 0.08 -2.53 0.54 0.00 -1.45 0.00 0.00 41.25 37.88 2jxa s ASN 80 CO 0.70 -0.98 1.81 1.33 -3.72 0.00 0.00 177.10 176.24 2jxa n VAL 81 N 6.16 3.18 -3.38 -5.21 0.24 -1.26 -4.74 118.33 113.31 2jxa n VAL 81 Ca 0.11 -2.68 -0.23 0.00 -2.04 0.00 0.00 64.34 59.51 2jxa n VAL 81 Cb 0.48 -0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 31.99 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 -3.52 0.66 -0.13 7.34 1.11 -0.69 -4.09 119.66 120.34 2jxa s GLN 82 Ca 0.57 -1.26 -0.05 0.00 0.01 0.00 0.00 55.36 54.63 2jxa s GLN 82 Cb 0.47 -1.04 0.06 0.00 -1.01 0.00 0.00 33.01 31.49 2jxa s GLN 82 CO 0.04 -1.24 0.28 0.00 0.01 0.00 0.00 175.29 174.38 2jxa s TYR 84 N 2.12 1.72 -0.41 0.00 2.02 -1.26 -2.17 117.35 119.37 2jxa s TYR 84 Ca -0.02 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 2jxa s TYR 84 Cb -0.11 -0.88 0.16 0.00 -0.40 0.00 0.00 41.96 40.73 2jxa s TYR 84 CO -0.09 0.26 0.42 -1.17 -1.57 0.00 0.00 175.55 173.40 2jxa s LEU 85 N -2.43 0.09 0.19 -1.29 2.96 -1.16 -4.91 118.68 112.13 2jxa s LEU 85 Ca 0.12 -2.00 -0.14 0.00 -0.22 0.00 0.00 54.13 51.89 2jxa s LEU 85 Cb -0.07 0.52 0.20 0.00 0.50 0.00 0.00 46.19 47.35 2jxa s LEU 85 CO 0.05 -0.20 1.66 -0.65 -1.32 0.00 0.00 176.35 175.89 2jxa h PRO 86 N 6.35 0.04 -1.08 0.98 0.11 -1.90 -1.34 132.00 135.16 2jxa h PRO 86 Ca 0.11 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.53 2jxa h PRO 86 Cb 1.03 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 2jxa h PRO 86 CO 0.21 0.03 0.78 -0.44 -0.21 0.00 0.00 178.00 178.36 2jxa h ASP 87 N 0.04 0.02 -0.73 -2.05 3.32 -1.96 0.14 116.42 115.21 2jxa h ASP 87 Ca 0.27 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.49 2jxa h ASP 87 Cb 0.42 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 2jxa h ASP 87 CO -0.52 0.01 0.50 0.00 -1.72 0.00 0.00 179.24 177.51 2jxa h ALA 88 N 1.47 2.30 -0.56 3.45 0.00 -1.55 -0.98 119.26 123.39 2jxa h ALA 88 Ca 0.52 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 2jxa h ALA 88 Cb 2.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 2jxa h ALA 88 CO -0.02 -0.51 0.10 0.35 0.00 0.00 0.00 179.25 179.17 2jxa h PHE 89 N 0.26 0.97 -0.59 0.00 3.57 -0.80 -2.74 116.94 117.61 2jxa h PHE 89 Ca 0.36 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 2jxa h PHE 89 Cb 1.03 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2jxa h PHE 89 CO -0.00 0.86 0.03 1.57 -2.23 0.00 0.00 178.31 178.54 2jxa h LYS 90 N 0.81 1.03 -0.12 1.11 2.10 -1.31 -1.08 116.57 119.10 2jxa h LYS 90 Ca 0.17 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2jxa h LYS 90 Cb 0.40 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2jxa h LYS 90 CO 0.01 1.00 0.08 0.82 -2.00 0.00 0.00 179.45 179.36 2jxa h ILE 91 N 0.92 1.04 -0.25 0.07 2.04 -1.38 -1.19 117.51 118.77 2jxa h ILE 91 Ca 0.17 -0.09 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 2jxa h ILE 91 Cb 0.51 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2jxa h ILE 91 CO 0.02 0.04 -0.44 0.24 0.00 0.00 0.00 178.15 178.01 2jxa h MET 92 N 0.16 0.62 -0.29 2.37 2.86 -1.44 -2.07 114.93 117.13 2jxa h MET 92 Ca 0.05 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2jxa h MET 92 Cb -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2jxa h MET 92 CO -0.01 0.94 0.15 0.77 1.06 0.00 0.00 176.91 179.82 2jxa h SER 93 N 0.50 0.22 -0.30 1.22 0.02 -0.99 0.71 113.55 114.93 2jxa h SER 93 Ca 0.03 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2jxa h SER 93 Cb 0.97 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2jxa h SER 93 CO 0.09 0.17 -0.03 1.56 -1.14 0.00 0.00 176.83 177.47 2jxa h GLN 94 N 0.31 0.67 0.01 3.45 4.20 -1.17 0.58 115.11 123.17 2jxa h GLN 94 Ca 0.12 -0.18 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 2jxa h GLN 94 Cb 0.03 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2jxa h GLN 94 CO -0.08 0.71 -1.02 0.00 -0.67 0.00 0.00 178.83 177.77 2jxa h ARG 95 N 0.63 0.03 0.00 1.46 3.08 -0.65 -3.39 114.38 115.55 2jxa h ARG 95 Ca 0.12 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2jxa h ARG 95 Cb 0.44 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2jxa h ARG 95 CO 0.02 1.02 -1.38 0.00 -1.07 0.00 0.00 179.97 178.56 2jxa n ASN 97 N -1.80 3.52 -0.38 0.00 3.02 0.20 -1.58 115.26 118.25 2jxa n ASN 97 Ca -0.02 1.16 -0.05 0.00 -0.03 0.00 0.00 54.58 55.64 2jxa n ASN 97 Cb 0.23 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 37.82 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jxa n ASN 98 N 1.89 -5.21 -4.52 6.41 4.13 -0.00 -4.94 115.26 113.02 2jxa n ASN 98 Ca 0.08 0.12 -0.31 0.00 1.68 0.00 0.00 54.58 56.16 2jxa n ASN 98 Cb 0.36 -3.15 -0.11 0.00 -1.54 0.00 0.00 39.78 35.34 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 2.23 0.27 3.52 0.52 -0.61 -4.79 118.95 117.97 2jxa s ARG 99 Ca 0.00 -0.91 0.08 0.00 -0.52 0.00 0.00 55.73 54.39 2jxa s ARG 99 Cb 0.00 -2.30 0.35 0.00 0.52 0.00 0.00 34.95 33.52 2jxa s ARG 99 CO 0.00 0.55 1.61 1.15 0.02 0.00 0.00 175.30 178.64 2jxa h THR 100 N 3.77 1.41 -2.86 0.02 2.02 -1.85 1.27 112.91 116.69 2jxa h THR 100 Ca -0.48 -2.00 -0.08 0.00 0.77 0.00 0.00 66.41 64.62 2jxa h THR 100 Cb 1.16 2.05 -0.18 0.00 -1.74 0.00 0.00 68.15 69.45 2jxa h THR 100 CO 0.50 0.58 -0.10 0.00 0.37 0.00 0.00 175.52 176.87 2jxa s GLN 101 N -3.71 0.88 -0.14 6.66 -2.07 -1.26 0.17 119.66 120.19 2jxa s GLN 101 Ca -0.02 -0.22 -0.16 0.00 -1.82 0.00 0.00 55.36 53.14 2jxa s GLN 101 Cb 0.13 0.40 0.04 0.00 -1.09 0.00 0.00 33.01 32.48 2jxa s GLN 101 CO 0.77 -0.29 0.42 0.00 -1.32 0.00 0.00 175.29 174.88 2jxa s VAL 103 N -0.04 1.80 -0.01 0.00 1.01 -1.26 -1.46 120.40 120.43 2jxa s VAL 103 Ca -0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 2jxa s VAL 103 Cb -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2jxa s VAL 103 CO 0.01 0.50 0.14 -0.69 0.00 0.00 0.00 175.10 175.07 2jxa s VAL 104 N 0.53 0.06 -0.25 2.92 1.01 -0.83 -4.94 120.40 118.90 2jxa s VAL 104 Ca -0.15 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2jxa s VAL 104 Cb -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.83 2jxa s VAL 104 CO 0.06 -0.29 1.12 -0.69 0.00 0.00 0.00 175.10 175.29 2jxa s VAL 105 N -1.04 4.50 0.00 2.92 1.01 -1.26 0.33 120.40 126.86 2jxa s VAL 105 Ca -0.11 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 2jxa s VAL 105 Cb -0.06 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2jxa s VAL 105 CO 0.01 -0.29 1.18 0.00 0.00 0.00 0.00 175.10 176.00 2jxa n ALA 106 N 6.68 2.91 0.00 5.51 0.00 0.11 -4.64 120.51 131.08 2jxa n ALA 106 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2jxa n ALA 106 Cb 0.46 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.93 -0.28 3.86 0.00 0.00 -1.26 -1.41 105.19 108.04 2jxa n GLY 107 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.54 113.62 116.31 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 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.21 0.00 0.00 -3.46 8.00 -1.26 -1.74 116.55 115.88 2jxa n ASP 109 Ca 0.00 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.08 2jxa n ASP 109 Cb 0.00 -0.48 0.50 0.00 -0.02 0.00 0.00 41.12 41.12 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa n ALA 110 N -1.48 2.07 -3.49 2.24 0.00 -0.41 -4.70 120.51 114.75 2jxa n ALA 110 Ca 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2jxa n ALA 110 Cb 0.08 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.94 -0.18 0.00 0.00 0.40 0.30 -4.87 117.98 110.69 2jxa s PHE 111 Ca 0.13 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 2jxa s PHE 111 Cb 0.15 -0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.66 2jxa s PHE 111 CO 0.41 -0.14 0.00 -2.30 0.70 0.00 0.00 175.22 173.89 2jxa n PRO 112 N 3.79 1.71 -3.54 0.24 -0.02 -1.26 -4.66 135.00 131.25 2jxa n PRO 112 Ca -0.21 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.97 2jxa n PRO 112 Cb 0.54 0.00 -0.14 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 -2.34 3.45 -0.13 2.55 2.15 -1.26 -4.96 116.67 116.13 2jxa s ASP 113 Ca 0.00 -1.53 -0.08 0.00 0.43 0.00 0.00 52.55 51.37 2jxa s ASP 113 Cb 0.00 -0.40 -0.05 0.00 -0.30 0.00 0.00 42.92 42.16 2jxa s ASP 113 CO 0.00 -0.41 0.03 1.55 -0.17 0.00 0.00 175.17 176.18 2jxa h PRO 114 N 8.05 0.00 -2.85 4.34 0.13 -1.92 -3.43 132.00 136.31 2jxa h PRO 114 Ca -0.13 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.38 2jxa h PRO 114 Cb 1.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.72 2jxa h PRO 114 CO 0.40 0.18 -0.70 0.00 -0.23 0.00 0.00 178.00 177.65 2jxa s PRO 116 N -0.94 4.26 0.00 0.00 0.04 -1.26 -3.48 135.00 133.62 2jxa s PRO 116 Ca 0.27 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2jxa s PRO 116 Cb -0.02 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2jxa s PRO 116 CO -0.17 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2jxa n GLY 117 N 1.35 1.62 3.64 0.56 0.00 -1.26 -5.10 105.19 105.99 2jxa n GLY 117 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 3.67 -0.77 2.61 2.01 -1.23 -4.53 115.64 115.28 2jxa s THR 118 Ca 0.00 -1.26 -0.23 0.00 0.31 0.00 0.00 61.69 60.51 2jxa s THR 118 Cb 0.00 -2.77 0.07 0.00 0.01 0.00 0.00 72.50 69.81 2jxa s THR 118 CO 0.00 0.03 1.12 -0.47 -0.69 0.00 0.00 174.62 174.61 2jxa s TYR 119 N -1.44 2.65 0.00 4.92 5.04 -0.87 -4.98 117.35 122.67 2jxa s TYR 119 Ca 0.25 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 2jxa s TYR 119 Cb -0.11 -4.41 0.00 0.00 0.35 0.00 0.00 41.96 37.79 2jxa s TYR 119 CO 0.17 -1.75 0.00 1.63 -1.34 0.00 0.00 175.55 174.26 2jxa n LYS 120 N 8.00 0.84 -3.74 4.97 5.02 -1.26 -4.85 118.16 127.14 2jxa n LYS 120 Ca 0.07 0.00 -0.02 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 -0.12 -0.08 -0.09 2.13 -0.85 0.26 -2.61 117.35 115.99 2jxa s TYR 121 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 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 -0.71 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.06 2jxa s LEU 122 N -3.02 1.30 -0.11 -3.49 2.96 -0.69 -1.11 118.68 114.52 2jxa s LEU 122 Ca 0.14 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2jxa s LEU 122 Cb -0.00 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 2jxa s LEU 122 CO 0.01 -0.07 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.06 2jxa s GLU 123 N 1.37 3.12 -0.09 1.98 2.12 -0.77 -1.67 118.70 124.75 2jxa s GLU 123 Ca -0.02 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.48 2jxa s GLU 123 Cb -0.14 -2.39 0.02 0.00 0.26 0.00 0.00 34.13 31.89 2jxa s GLU 123 CO -0.04 0.16 -0.06 0.08 -0.54 0.00 0.00 175.26 174.87 2jxa s VAL 124 N 0.40 0.82 -0.18 3.70 1.01 -0.10 -1.84 120.40 124.21 2jxa s VAL 124 Ca -0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2jxa s VAL 124 Cb -0.17 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2jxa s VAL 124 CO 0.07 0.33 0.04 -1.10 0.00 0.00 0.00 175.10 174.43 2jxa s GLN 125 N 1.61 3.87 0.22 2.72 1.11 0.11 -1.94 119.66 127.36 2jxa s GLN 125 Ca 0.02 -0.40 -0.14 0.00 0.01 0.00 0.00 55.36 54.85 2jxa s GLN 125 Cb -0.13 -3.14 0.01 0.00 -1.01 0.00 0.00 33.01 28.74 2jxa s GLN 125 CO -0.06 0.23 0.47 1.52 0.01 0.00 0.00 175.29 177.46 2jxa s TYR 126 N 0.47 0.18 0.23 0.91 1.13 -0.70 -0.63 117.35 118.95 2jxa s TYR 126 Ca 0.01 -0.55 0.10 0.00 -1.41 0.00 0.00 57.07 55.22 2jxa s TYR 126 Cb -0.13 0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 40.92 2jxa s TYR 126 CO 0.01 -0.93 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.44 2jxa s ASP 127 N -2.96 3.03 -0.33 -0.18 1.01 -1.01 -1.98 116.67 114.26 2jxa s ASP 127 Ca 0.16 -1.01 -0.02 0.00 0.71 0.00 0.00 52.55 52.40 2jxa s ASP 127 Cb -0.00 -0.21 0.06 0.00 1.01 0.00 0.00 42.92 43.78 2jxa s ASP 127 CO 0.03 -0.06 0.05 0.00 0.21 0.00 0.00 175.17 175.40 2jxa s VAL 129 N 1.22 3.71 0.44 0.00 -7.23 -0.95 -4.73 120.40 112.86 2jxa s VAL 129 Ca -0.02 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 2jxa s VAL 129 Cb -0.20 -2.94 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 2jxa s VAL 129 CO -0.02 -0.28 1.12 -2.65 -0.31 0.00 0.00 175.10 172.97 2jxa n PRO 130 N -0.66 1.55 0.00 4.82 -0.02 -1.26 0.17 135.00 139.59 2jxa n PRO 130 Ca -0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2jxa n PRO 130 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.52 0.00 -3.51 6.00 9.36 -0.61 -4.62 117.16 123.27 2jxa n TYR 131 Ca 0.09 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.06 2jxa n TYR 131 Cb 0.40 -0.13 -0.14 0.00 -0.63 0.00 0.00 39.34 38.84 2jxa n TYR 131 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2jxa s LYS 132 N -0.38 0.21 0.01 2.98 -2.85 -1.26 -5.04 119.74 113.40 2jxa s LYS 132 Ca 0.00 -0.33 -0.20 0.00 -1.00 0.00 0.00 55.97 54.44 2jxa s LYS 132 Cb 0.00 -1.10 -0.06 0.00 -2.06 0.00 0.00 37.83 34.62 2jxa s LYS 132 CO 0.00 -0.96 0.58 0.08 0.10 0.00 0.00 175.35 175.15 2jxa s VAL 133 N 2.19 4.88 0.00 1.79 1.01 -1.26 -5.19 120.40 123.82 2jxa s VAL 133 Ca 0.08 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2jxa s VAL 133 Cb -0.15 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2jxa s VAL 133 CO -0.31 0.45 0.00 1.21 0.00 0.00 0.00 175.10 176.45