#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 2.58 -4.76 0.99 4.77 -1.26 -5.10 117.00 114.22 2jxa n LEU 30 Ca 0.00 -5.27 -0.38 0.00 -0.03 0.00 0.00 56.01 50.33 2jxa n LEU 30 Cb 0.00 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2jxa n LEU 30 CO 0.00 2.21 0.93 -2.16 -1.33 0.00 0.00 177.39 177.04 2jxa s PRO 31 N -2.52 3.37 0.20 3.23 0.04 -1.26 -4.91 135.00 133.15 2jxa s PRO 31 Ca 0.42 2.08 0.26 0.00 0.04 0.00 0.00 61.00 63.80 2jxa s PRO 31 Cb 0.24 -2.32 0.85 0.00 0.04 0.00 0.00 34.50 33.31 2jxa s PRO 31 CO -0.09 -0.96 1.78 0.34 0.04 0.00 0.00 177.00 178.11 2jxa n PHE 32 N -0.82 0.87 -1.41 0.56 7.35 -1.26 -4.92 117.46 117.84 2jxa n PHE 32 Ca 0.09 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2jxa n PHE 32 Cb 0.46 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.36 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 1.18 0.44 2.75 7.13 0.00 -1.26 -5.00 105.19 110.43 2jxa n GLY 33 Ca 0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -3.22 -1.42 0.99 0.00 -1.26 -5.13 117.00 106.96 2jxa n LEU 34 Ca 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 56.01 53.11 2jxa n LEU 34 Cb 0.23 0.76 0.00 0.00 0.00 0.00 0.00 43.42 44.42 2jxa n LEU 34 CO 0.00 1.91 -0.32 0.23 0.00 0.00 0.00 177.39 179.21 2jxa n MET 35 N 2.62 -2.88 -3.34 1.96 2.81 -1.26 -4.85 117.12 112.18 2jxa n MET 35 Ca 0.15 2.20 -0.35 0.00 -1.81 0.00 0.00 57.70 57.90 2jxa n MET 35 Cb 0.58 -2.83 -0.06 0.00 -0.71 0.00 0.00 33.22 30.20 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 -4.40 3.99 -0.12 0.03 0.52 0.28 -4.90 118.95 114.35 2jxa s ARG 36 Ca 0.00 0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 55.65 2jxa s ARG 36 Cb 0.00 -2.90 0.05 0.00 0.52 0.00 0.00 34.95 32.62 2jxa s ARG 36 CO 0.00 0.45 0.29 0.50 0.02 0.00 0.00 175.30 176.56 2jxa s ARG 37 N -2.04 0.26 0.03 3.54 3.52 -1.26 -1.36 118.95 121.64 2jxa s ARG 37 Ca 0.39 0.56 0.04 0.00 -0.13 0.00 0.00 55.73 56.59 2jxa s ARG 37 Cb -0.15 -0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.17 2jxa s ARG 37 CO 0.19 -0.14 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.22 2jxa s GLU 38 N 1.09 0.75 -0.01 5.12 2.02 -0.98 -5.03 118.70 121.66 2jxa s GLU 38 Ca -0.08 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 2jxa s GLU 38 Cb -0.08 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.45 2jxa s GLU 38 CO -0.08 0.17 0.03 -1.17 0.02 0.00 0.00 175.26 174.23 2jxa s LEU 39 N -1.05 1.89 0.00 1.80 0.20 -1.26 -1.89 118.68 118.38 2jxa s LEU 39 Ca -0.01 -0.02 -0.02 0.00 0.69 0.00 0.00 54.13 54.77 2jxa s LEU 39 Cb -0.07 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.84 2jxa s LEU 39 CO 0.01 -0.07 0.03 0.00 -0.29 0.00 0.00 176.35 176.03 2jxa s ALA 40 N -0.26 -0.06 0.13 5.97 0.00 -0.98 -5.00 121.76 121.56 2jxa s ALA 40 Ca -0.03 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 2jxa s ALA 40 Cb -0.02 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 2jxa s ALA 40 CO -0.00 -0.12 1.45 0.00 0.00 0.00 0.00 175.76 177.10 2jxa n GLU 42 N 3.96 0.05 -0.56 0.00 2.13 -1.07 -1.83 120.64 123.32 2jxa n GLU 42 Ca 0.12 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2jxa n GLU 42 Cb 0.41 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 1.81 0.84 3.43 8.31 0.00 0.59 -4.89 105.19 115.28 2jxa n GLY 43 Ca 0.19 0.00 -0.30 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 -3.15 2.45 0.32 1.61 1.51 -0.76 -4.70 117.35 114.62 2jxa s TYR 44 Ca 0.00 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2jxa s TYR 44 Cb 0.00 -1.35 -0.11 0.00 -0.11 0.00 0.00 41.96 40.39 2jxa s TYR 44 CO 0.00 0.31 1.46 -1.25 -1.11 0.00 0.00 175.55 174.96 2jxa s PRO 45 N -1.84 4.20 0.02 -1.71 0.04 -1.26 -1.07 135.00 133.38 2jxa s PRO 45 Ca 0.15 2.43 0.08 0.00 0.04 0.00 0.00 61.00 63.71 2jxa s PRO 45 Cb -0.10 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2jxa s PRO 45 CO 0.07 -0.46 -0.23 -1.50 0.04 0.00 0.00 177.00 174.92 2jxa s ILE 46 N -0.60 2.39 -0.07 0.56 2.07 0.20 -4.88 121.20 120.87 2jxa s ILE 46 Ca 0.56 -1.23 0.01 0.00 -1.41 0.00 0.00 60.65 58.58 2jxa s ILE 46 Cb -0.44 -1.94 0.02 0.00 0.13 0.00 0.00 42.46 40.23 2jxa s ILE 46 CO 0.53 0.42 -0.08 -0.70 -1.91 0.00 0.00 174.94 173.19 2jxa s GLU 47 N -1.14 1.30 -0.00 3.50 2.12 -1.26 -1.90 118.70 121.32 2jxa s GLU 47 Ca 0.12 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.23 2jxa s GLU 47 Cb -0.10 -1.22 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 2jxa s GLU 47 CO 0.02 -0.09 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.12 2jxa s LEU 48 N 1.05 3.42 -0.14 2.70 1.43 -0.71 -4.97 118.68 121.45 2jxa s LEU 48 Ca -0.08 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2jxa s LEU 48 Cb -0.14 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.18 2jxa s LEU 48 CO -0.00 0.28 0.33 -0.13 0.23 0.00 0.00 176.35 177.06 2jxa s ARG 49 N -1.52 0.28 -0.02 1.70 0.52 -1.26 -2.26 118.95 116.39 2jxa s ARG 49 Ca 0.19 0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 56.01 2jxa s ARG 49 Cb -0.11 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.29 2jxa s ARG 49 CO 0.09 -0.19 0.32 0.00 0.02 0.00 0.00 175.30 175.54 2jxa s PRO 51 N -1.31 2.00 4.16 0.00 0.04 -1.26 -4.68 135.00 133.95 2jxa s PRO 51 Ca 0.24 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2jxa s PRO 51 Cb -0.15 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2jxa s PRO 51 CO 0.12 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2jxa n GLY 52 N -0.58 2.79 1.56 0.56 0.00 -1.26 -1.94 105.19 106.32 2jxa n GLY 52 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 1.80 4.52 -4.82 1.61 3.41 -1.26 -4.99 113.62 113.88 2jxa n SER 53 Ca 0.00 -3.16 -0.30 0.00 -0.26 0.00 0.00 58.87 55.15 2jxa n SER 53 Cb 0.00 -0.66 0.10 0.00 -0.26 0.00 0.00 64.21 63.38 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 4.32 0.04 4.04 1.01 -0.82 -3.93 116.67 119.91 2jxa s ASP 54 Ca 0.50 1.15 0.06 0.00 0.71 0.00 0.00 52.55 54.97 2jxa s ASP 54 Cb 0.40 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 42.48 2jxa s ASP 54 CO 0.11 -2.06 -0.18 0.68 0.21 0.00 0.00 175.17 173.93 2jxa s VAL 55 N -3.24 1.42 0.25 -1.27 -7.23 0.15 -4.39 120.40 106.08 2jxa s VAL 55 Ca 0.61 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 2jxa s VAL 55 Cb -0.14 -1.25 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2jxa s VAL 55 CO 0.53 0.14 1.25 -0.63 -0.31 0.00 0.00 175.10 176.08 2jxa s ILE 56 N -0.79 3.18 -0.33 -0.62 1.01 0.32 -2.11 121.20 121.86 2jxa s ILE 56 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2jxa s ILE 56 Cb -0.08 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.81 2jxa s ILE 56 CO 0.01 0.20 0.11 0.00 0.00 0.00 0.00 174.94 175.26 2jxa s MET 57 N -0.81 0.85 0.06 2.79 0.23 -0.49 -0.54 119.30 121.40 2jxa s MET 57 Ca 0.52 -1.26 -0.31 0.00 -1.03 0.00 0.00 55.69 53.61 2jxa s MET 57 Cb -0.36 -2.15 -0.09 0.00 -1.53 0.00 0.00 34.83 30.70 2jxa s MET 57 CO 0.42 -1.00 1.76 0.08 -2.03 0.00 0.00 175.02 174.25 2jxa s VAL 58 N 1.40 2.95 -0.26 5.16 1.01 -1.26 -2.59 120.40 126.81 2jxa s VAL 58 Ca 0.11 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 2jxa s VAL 58 Cb -0.18 -3.20 -0.15 0.00 0.00 0.00 0.00 36.38 32.85 2jxa s VAL 58 CO -0.21 -0.01 -0.27 -0.62 0.00 0.00 0.00 175.10 174.00 2jxa n GLU 59 N 6.15 0.62 -3.66 2.72 -0.58 -0.74 -4.98 120.64 120.16 2jxa n GLU 59 Ca 0.17 0.22 -0.15 0.00 -0.42 0.00 0.00 57.16 56.98 2jxa n GLU 59 Cb 0.40 -1.52 -0.08 0.00 -0.57 0.00 0.00 31.44 29.68 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 -7.02 -0.42 -0.07 1.62 0.01 -1.00 -5.04 114.94 103.02 2jxa s ASN 60 Ca -0.36 0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 51.97 2jxa s ASN 60 Cb 0.12 0.53 0.10 0.00 0.41 0.00 0.00 41.25 42.41 2jxa s ASN 60 CO 0.55 -0.45 0.85 0.00 -1.51 0.00 0.00 177.10 176.54 2jxa s ALA 61 N -0.98 -1.84 0.03 0.60 0.00 -1.26 0.06 121.76 118.37 2jxa s ALA 61 Ca -0.10 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 2jxa s ALA 61 Cb -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2jxa s ALA 61 CO 0.06 -0.44 0.29 1.21 0.00 0.00 0.00 175.76 176.87 2jxa s ASN 62 N -1.54 -0.12 -0.10 0.00 2.47 -0.04 -3.38 114.94 112.23 2jxa s ASN 62 Ca -0.03 -0.15 0.02 0.00 0.42 0.00 0.00 52.86 53.12 2jxa s ASN 62 Cb -0.00 0.33 0.01 0.00 -1.45 0.00 0.00 41.25 40.14 2jxa s ASN 62 CO 0.01 -0.56 -0.15 -0.47 -3.72 0.00 0.00 177.10 172.21 2jxa s TYR 63 N -2.25 1.89 0.00 0.43 6.14 -1.26 -1.57 117.35 120.73 2jxa s TYR 63 Ca -0.07 -0.87 0.00 0.00 0.64 0.00 0.00 57.07 56.77 2jxa s TYR 63 Cb -0.02 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 40.99 2jxa s TYR 63 CO -0.02 -0.46 0.00 0.41 0.64 0.00 0.00 175.55 176.13 2jxa n GLY 64 N 4.19 -0.25 3.21 8.97 0.00 -0.53 -2.39 105.19 118.40 2jxa n GLY 64 Ca -0.19 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.59 0.43 0.00 1.61 3.52 -0.20 0.29 118.95 123.01 2jxa s ARG 65 Ca 0.00 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 56.57 2jxa s ARG 65 Cb 0.00 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2jxa s ARG 65 CO 0.00 -0.43 1.00 0.25 -0.81 0.00 0.00 175.30 175.30 2jxa n THR 66 N 5.40 0.95 -3.54 4.11 -2.24 -1.26 0.19 114.28 117.89 2jxa n THR 66 Ca -0.06 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 2jxa n THR 66 Cb 0.50 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.39 0.00 0.00 3.42 2.03 -1.25 -4.71 116.55 115.64 2jxa n ASP 67 Ca 0.01 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2jxa n ASP 67 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.89 0.00 -1.25 1.67 5.68 -1.26 -4.41 116.55 115.09 2jxa n ASP 68 Ca 0.00 -0.41 0.10 0.00 -0.50 0.00 0.00 54.79 53.98 2jxa n ASP 68 Cb 0.00 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.00 2.70 -4.94 0.11 5.02 -1.26 -4.88 118.16 114.91 2jxa n LYS 69 Ca 0.00 -2.38 -0.33 0.00 -2.02 0.00 0.00 58.31 53.59 2jxa n LYS 69 Cb 0.10 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.28 2.91 -0.75 -0.18 -1.09 -1.26 -4.76 121.20 114.78 2jxa s ILE 70 Ca 0.44 -0.77 -0.00 0.00 -2.23 0.00 0.00 60.65 58.09 2jxa s ILE 70 Cb 0.24 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 2jxa s ILE 70 CO 0.28 0.58 0.68 0.00 -1.23 0.00 0.00 174.94 175.25 2jxa n ASP 72 N -1.90 2.71 -0.38 0.00 5.75 -1.26 -4.90 116.55 116.57 2jxa n ASP 72 Ca -0.05 0.86 0.00 0.00 -0.01 0.00 0.00 54.79 55.59 2jxa n ASP 72 Cb 0.53 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jxa n ALA 73 N 7.07 0.00 -1.76 2.12 0.00 -1.26 -5.10 120.51 121.57 2jxa n ALA 73 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 2jxa n ALA 73 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 0.32 6.39 0.57 0.00 1.47 -1.26 -4.85 116.67 119.31 2jxa s ASP 74 Ca 0.00 2.89 0.26 0.00 1.18 0.00 0.00 52.55 56.88 2jxa s ASP 74 Cb 0.00 -2.62 1.55 0.00 -0.34 0.00 0.00 42.92 41.52 2jxa s ASP 74 CO 0.00 -0.93 2.09 1.55 0.68 0.00 0.00 175.17 178.57 2jxa h PRO 75 N 5.77 0.00 -0.00 2.11 0.13 -1.99 -0.97 132.00 137.05 2jxa h PRO 75 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2jxa h PRO 75 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jxa h PRO 75 CO 0.87 0.00 -0.19 0.74 -0.23 0.00 0.00 178.00 179.19 2jxa h PHE 76 N 0.00 0.00 -0.01 1.56 -1.00 -1.96 0.11 116.94 115.65 2jxa h PHE 76 Ca 0.10 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 2jxa h PHE 76 Cb 0.49 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2jxa h PHE 76 CO 0.00 0.20 -0.25 1.04 -1.61 0.00 0.00 178.31 177.69 2jxa n GLN 77 N -4.31 0.67 0.00 1.51 6.02 -0.38 -3.55 117.38 117.35 2jxa n GLN 77 Ca -0.02 -0.36 0.05 0.00 -0.01 0.00 0.00 57.00 56.66 2jxa n GLN 77 Cb 0.25 -1.49 0.03 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 -0.85 1.01 0.15 -1.09 2.81 -0.10 -0.41 117.12 118.63 2jxa n MET 78 Ca 0.12 -0.98 -0.14 0.00 -1.81 0.00 0.00 57.70 54.88 2jxa n MET 78 Cb 0.33 -1.17 -0.08 0.00 -0.71 0.00 0.00 33.22 31.59 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 1.84 -0.29 -6.60 0.03 5.08 -0.92 -3.40 114.58 110.32 2jxa h GLU 79 Ca 0.00 0.02 -0.56 0.00 -1.00 0.00 0.00 59.36 57.82 2jxa h GLU 79 Cb 0.42 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 2jxa h GLU 79 CO 0.00 -0.16 0.99 1.21 -1.00 0.00 0.00 179.01 180.05 2jxa s ASN 80 N -4.97 6.46 -0.46 1.42 2.47 -1.26 -4.86 114.94 113.73 2jxa s ASN 80 Ca -0.15 0.33 0.04 0.00 0.42 0.00 0.00 52.86 53.50 2jxa s ASN 80 Cb 0.05 -2.55 0.63 0.00 -1.45 0.00 0.00 41.25 37.92 2jxa s ASN 80 CO 0.64 -1.43 1.89 1.33 -3.72 0.00 0.00 177.10 175.81 2jxa n VAL 81 N 6.81 3.20 -3.45 -5.21 0.24 -1.26 -4.68 118.33 113.97 2jxa n VAL 81 Ca 0.11 -2.15 -0.28 0.00 -2.04 0.00 0.00 64.34 59.98 2jxa n VAL 81 Cb 0.49 -0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.37 0.74 -0.19 7.34 -1.52 -0.88 -3.94 119.66 117.84 2jxa s GLN 82 Ca 0.57 -1.69 -0.05 0.00 -1.95 0.00 0.00 55.36 52.24 2jxa s GLN 82 Cb 0.48 -1.41 0.10 0.00 -0.22 0.00 0.00 33.01 31.95 2jxa s GLN 82 CO 0.08 -1.28 0.33 0.00 -0.25 0.00 0.00 175.29 174.17 2jxa s TYR 84 N 2.49 1.90 -0.41 0.00 1.51 -1.26 -1.04 117.35 120.54 2jxa s TYR 84 Ca 0.05 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 2jxa s TYR 84 Cb -0.14 -0.93 0.17 0.00 -0.11 0.00 0.00 41.96 40.95 2jxa s TYR 84 CO -0.12 0.38 0.37 -1.17 -1.11 0.00 0.00 175.55 173.90 2jxa s LEU 85 N -2.80 0.93 0.28 -1.29 2.96 -1.00 -4.89 118.68 112.86 2jxa s LEU 85 Ca 0.18 -2.71 0.00 0.00 -0.22 0.00 0.00 54.13 51.38 2jxa s LEU 85 Cb -0.05 -0.11 0.66 0.00 0.50 0.00 0.00 46.19 47.19 2jxa s LEU 85 CO 0.08 -0.18 1.63 -0.65 -1.32 0.00 0.00 176.35 175.91 2jxa h PRO 86 N 5.84 0.15 -0.15 0.98 0.11 -1.90 0.69 132.00 137.71 2jxa h PRO 86 Ca 0.20 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.35 2jxa h PRO 86 Cb 0.95 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2jxa h PRO 86 CO 0.30 0.10 0.18 -0.44 -0.21 0.00 0.00 178.00 177.93 2jxa h ASP 87 N 0.15 0.00 -0.88 -2.05 3.32 -1.96 -2.03 116.42 112.98 2jxa h ASP 87 Ca 0.53 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.78 2jxa h ASP 87 Cb 1.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 2jxa h ASP 87 CO -0.70 0.00 0.58 0.00 -1.72 0.00 0.00 179.24 177.41 2jxa h ALA 88 N 1.79 2.20 -0.72 3.45 0.00 -1.15 -0.59 119.26 124.24 2jxa h ALA 88 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jxa h ALA 88 Cb 0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jxa h ALA 88 CO -0.00 -0.47 0.22 0.35 0.00 0.00 0.00 179.25 179.35 2jxa h PHE 89 N 0.40 1.17 -0.51 0.00 3.57 -1.37 -2.71 116.94 117.49 2jxa h PHE 89 Ca 0.45 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 2jxa h PHE 89 Cb 1.13 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2jxa h PHE 89 CO -0.00 0.93 -0.12 1.57 -2.23 0.00 0.00 178.31 178.45 2jxa h LYS 90 N 1.07 0.97 0.25 1.11 2.10 -1.28 -1.31 116.57 119.48 2jxa h LYS 90 Ca 0.23 -0.36 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2jxa h LYS 90 Cb 0.32 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2jxa h LYS 90 CO -0.01 1.03 -0.12 0.82 -2.00 0.00 0.00 179.45 179.17 2jxa h ILE 91 N 0.86 0.76 -0.10 0.07 2.04 -1.29 -1.64 117.51 118.21 2jxa h ILE 91 Ca 0.13 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 2jxa h ILE 91 Cb 0.68 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2jxa h ILE 91 CO 0.05 0.00 -0.46 0.24 0.00 0.00 0.00 178.15 177.99 2jxa h MET 92 N -0.34 0.24 -0.67 2.37 2.86 -1.50 -2.39 114.93 115.50 2jxa h MET 92 Ca -0.03 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jxa h MET 92 Cb 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2jxa h MET 92 CO 0.06 0.66 0.44 0.77 1.06 0.00 0.00 176.91 179.90 2jxa h SER 93 N 0.20 0.77 -0.24 1.22 0.02 -1.02 0.94 113.55 115.43 2jxa h SER 93 Ca 0.01 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2jxa h SER 93 Cb 0.89 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2jxa h SER 93 CO 0.07 0.56 -0.15 1.56 -1.14 0.00 0.00 176.83 177.73 2jxa h GLN 94 N 0.91 0.67 0.04 3.45 4.20 -1.12 0.55 115.11 123.80 2jxa h GLN 94 Ca 0.25 -0.23 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 2jxa h GLN 94 Cb -0.10 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2jxa h GLN 94 CO -0.05 0.79 -1.01 0.00 -0.67 0.00 0.00 178.83 177.88 2jxa h ARG 95 N 0.60 0.26 0.00 1.46 3.08 -0.76 -3.38 114.38 115.65 2jxa h ARG 95 Ca 0.10 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2jxa h ARG 95 Cb 0.60 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2jxa h ARG 95 CO 0.04 1.08 -1.07 0.00 -1.07 0.00 0.00 179.97 178.94 2jxa s ASN 97 N -2.68 6.43 -0.50 0.00 0.01 0.19 -2.00 114.94 116.39 2jxa s ASN 97 Ca -0.01 2.86 0.00 0.00 -0.71 0.00 0.00 52.86 55.00 2jxa s ASN 97 Cb 0.07 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2jxa s ASN 97 CO 0.41 -0.89 0.00 0.59 -1.51 0.00 0.00 177.10 175.69 2jxa n ASN 98 N 2.80 -4.92 -4.53 -1.22 4.13 0.30 -4.95 115.26 106.88 2jxa n ASN 98 Ca 0.10 0.12 -0.31 0.00 1.68 0.00 0.00 54.58 56.17 2jxa n ASN 98 Cb 0.37 -2.83 -0.11 0.00 -1.54 0.00 0.00 39.78 35.67 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 -1.96 2.17 0.28 3.52 0.52 -0.85 -4.78 118.95 117.84 2jxa s ARG 99 Ca 0.00 -0.96 0.08 0.00 -0.52 0.00 0.00 55.73 54.33 2jxa s ARG 99 Cb 0.00 -2.29 0.38 0.00 0.52 0.00 0.00 34.95 33.56 2jxa s ARG 99 CO 0.00 0.54 1.64 1.15 0.02 0.00 0.00 175.30 178.64 2jxa h THR 100 N 3.63 1.38 -3.01 0.02 2.02 -1.86 0.91 112.91 116.00 2jxa h THR 100 Ca -0.48 -1.87 -0.06 0.00 0.77 0.00 0.00 66.41 64.77 2jxa h THR 100 Cb 1.16 1.96 -0.15 0.00 -1.74 0.00 0.00 68.15 69.39 2jxa h THR 100 CO 0.50 0.54 -0.01 0.00 0.37 0.00 0.00 175.52 176.93 2jxa s GLN 101 N -3.82 1.04 -0.15 6.66 -2.07 -1.26 -0.75 119.66 119.31 2jxa s GLN 101 Ca -0.03 -0.41 -0.18 0.00 -1.82 0.00 0.00 55.36 52.92 2jxa s GLN 101 Cb 0.13 0.47 0.05 0.00 -1.09 0.00 0.00 33.01 32.56 2jxa s GLN 101 CO 0.77 -0.39 0.48 0.00 -1.32 0.00 0.00 175.29 174.83 2jxa s VAL 103 N -0.10 1.49 -0.01 0.00 1.01 -1.26 -1.74 120.40 119.79 2jxa s VAL 103 Ca -0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2jxa s VAL 103 Cb -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2jxa s VAL 103 CO 0.02 0.44 0.11 -0.69 0.00 0.00 0.00 175.10 174.98 2jxa s VAL 104 N 0.91 0.06 -0.19 2.92 1.01 -0.80 -4.94 120.40 119.36 2jxa s VAL 104 Ca -0.08 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2jxa s VAL 104 Cb -0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 2jxa s VAL 104 CO -0.00 -0.26 1.16 -0.69 0.00 0.00 0.00 175.10 175.31 2jxa s VAL 105 N -0.87 4.47 0.00 2.92 1.01 -1.26 -0.63 120.40 126.04 2jxa s VAL 105 Ca -0.10 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 2jxa s VAL 105 Cb -0.06 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2jxa s VAL 105 CO 0.01 -0.15 1.58 0.00 0.00 0.00 0.00 175.10 176.54 2jxa n ALA 106 N 6.41 3.39 -2.00 5.51 0.00 -0.23 -4.65 120.51 128.93 2jxa n ALA 106 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2jxa n ALA 106 Cb 0.45 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.25 3.28 0.00 0.00 -1.26 -0.30 105.19 109.21 2jxa n GLY 107 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.02 1.61 2.88 -1.26 -0.62 113.62 116.24 2jxa n SER 108 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jxa n SER 108 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 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 -1.87 0.07 0.10 -3.46 8.00 -1.26 -1.84 116.55 116.29 2jxa n ASP 109 Ca 0.00 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.15 2jxa n ASP 109 Cb 0.00 -0.54 0.45 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.53 2.10 -3.72 2.24 0.00 -0.67 -4.69 120.51 114.23 2jxa n ALA 110 Ca 0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 2jxa n ALA 110 Cb 0.08 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.14 -0.12 0.00 0.00 0.08 0.21 -4.90 117.98 110.10 2jxa s PHE 111 Ca 0.09 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.59 2jxa s PHE 111 Cb 0.12 -0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.39 2jxa s PHE 111 CO 0.52 -0.18 0.00 -2.30 -0.10 0.00 0.00 175.22 173.16 2jxa n PRO 112 N 4.57 2.35 -3.50 0.24 -0.02 -1.26 -4.59 135.00 132.79 2jxa n PRO 112 Ca -0.20 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.99 2jxa n PRO 112 Cb 0.51 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 -2.50 3.19 0.09 2.55 -1.08 -1.26 -4.95 116.67 112.71 2jxa s ASP 113 Ca 0.00 -1.92 -0.11 0.00 -0.52 0.00 0.00 52.55 50.00 2jxa s ASP 113 Cb 0.00 -0.42 -0.21 0.00 -1.46 0.00 0.00 42.92 40.83 2jxa s ASP 113 CO 0.00 -0.35 1.20 1.55 0.52 0.00 0.00 175.17 178.09 2jxa h PRO 114 N 7.45 0.59 -2.31 4.34 0.13 -1.90 -3.41 132.00 136.89 2jxa h PRO 114 Ca -0.02 -0.67 -0.58 0.00 -0.87 0.00 0.00 66.00 63.85 2jxa h PRO 114 Cb 0.98 0.20 -0.38 0.00 0.13 0.00 0.00 31.00 31.93 2jxa h PRO 114 CO 0.33 1.27 -0.99 0.00 -0.23 0.00 0.00 178.00 178.39 2jxa n PRO 116 N 2.71 2.24 0.00 0.00 -0.02 -1.26 -2.45 135.00 136.22 2jxa n PRO 116 Ca 0.29 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 2jxa n PRO 116 Cb 0.49 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2jxa n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jxa n GLY 117 N 2.57 0.47 3.75 -1.23 0.00 -1.26 -5.08 105.19 104.41 2jxa n GLY 117 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.08 4.46 -0.76 2.61 2.01 -1.02 -4.41 115.64 116.45 2jxa s THR 118 Ca 0.00 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 2jxa s THR 118 Cb 0.00 -3.08 0.06 0.00 0.01 0.00 0.00 72.50 69.49 2jxa s THR 118 CO 0.00 0.24 1.16 -0.47 -0.69 0.00 0.00 174.62 174.86 2jxa s TYR 119 N -1.26 2.57 0.19 4.92 6.14 0.45 -4.98 117.35 125.37 2jxa s TYR 119 Ca 0.25 -0.51 -0.03 0.00 0.64 0.00 0.00 57.07 57.42 2jxa s TYR 119 Cb -0.12 -4.46 0.05 0.00 0.42 0.00 0.00 41.96 37.84 2jxa s TYR 119 CO 0.17 -1.82 0.20 1.63 0.64 0.00 0.00 175.55 176.37 2jxa n LYS 120 N 8.32 -0.95 -3.72 4.97 5.02 -1.26 -4.86 118.16 125.68 2jxa n LYS 120 Ca 0.06 -0.31 -0.06 0.00 -2.02 0.00 0.00 58.31 55.98 2jxa n LYS 120 Cb 0.48 -0.26 -0.02 0.00 -0.02 0.00 0.00 35.03 35.21 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 -1.39 -0.21 -0.10 2.13 -0.85 0.15 -2.59 117.35 114.49 2jxa s TYR 121 Ca 0.12 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 2jxa s TYR 121 Cb -0.01 0.64 0.02 0.00 0.38 0.00 0.00 41.96 42.99 2jxa s TYR 121 CO 0.09 -0.89 -0.09 -1.17 -1.52 0.00 0.00 175.55 171.97 2jxa s LEU 122 N -2.86 1.31 -0.10 -3.49 2.96 -0.97 -1.45 118.68 114.08 2jxa s LEU 122 Ca 0.10 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2jxa s LEU 122 Cb -0.02 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 2jxa s LEU 122 CO 0.01 -0.08 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.10 2jxa s GLU 123 N 1.44 3.05 0.02 1.98 2.12 -0.61 -2.31 118.70 124.39 2jxa s GLU 123 Ca 0.00 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.63 2jxa s GLU 123 Cb -0.13 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 2jxa s GLU 123 CO -0.05 0.33 -0.10 0.08 -0.54 0.00 0.00 175.26 174.98 2jxa s VAL 124 N 0.04 0.75 -0.05 3.70 1.01 -0.79 -0.86 120.40 124.20 2jxa s VAL 124 Ca -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2jxa s VAL 124 Cb -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2jxa s VAL 124 CO 0.05 -0.02 -0.06 -1.10 0.00 0.00 0.00 175.10 173.96 2jxa s GLN 125 N -0.84 0.99 0.28 2.72 -0.21 0.11 -2.31 119.66 120.40 2jxa s GLN 125 Ca -0.01 -0.18 -0.16 0.00 0.02 0.00 0.00 55.36 55.04 2jxa s GLN 125 Cb -0.06 -0.93 0.01 0.00 1.00 0.00 0.00 33.01 33.03 2jxa s GLN 125 CO 0.00 -0.04 0.62 1.52 -2.12 0.00 0.00 175.29 175.27 2jxa s TYR 126 N 0.79 0.14 0.25 0.91 1.13 -0.46 -1.79 117.35 118.31 2jxa s TYR 126 Ca -0.12 -0.58 0.08 0.00 -1.41 0.00 0.00 57.07 55.04 2jxa s TYR 126 Cb -0.14 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.14 2jxa s TYR 126 CO 0.01 -1.18 -0.11 -0.51 -2.51 0.00 0.00 175.55 171.25 2jxa s ASP 127 N -3.00 2.76 -0.19 -0.18 1.01 -1.07 -0.56 116.67 115.45 2jxa s ASP 127 Ca 0.17 -1.10 -0.05 0.00 0.71 0.00 0.00 52.55 52.29 2jxa s ASP 127 Cb -0.03 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.70 2jxa s ASP 127 CO 0.09 -0.23 -0.01 0.00 0.21 0.00 0.00 175.17 175.23 2jxa s VAL 129 N 0.89 1.27 0.62 0.00 -7.23 -0.90 -4.85 120.40 110.20 2jxa s VAL 129 Ca 0.01 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 2jxa s VAL 129 Cb -0.14 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2jxa s VAL 129 CO 0.02 -0.59 1.29 -2.65 -0.31 0.00 0.00 175.10 172.86 2jxa n PRO 130 N 0.12 1.26 0.00 4.82 -0.02 -1.26 0.29 135.00 140.22 2jxa n PRO 130 Ca -0.12 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 2jxa n PRO 130 Cb 0.59 -2.52 0.59 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.66 0.00 -3.57 6.00 9.36 -1.25 -4.72 117.16 121.31 2jxa n TYR 131 Ca 0.14 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.99 2jxa n TYR 131 Cb 0.47 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.12 2jxa n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jxa s LYS 132 N -2.00 3.99 -0.15 2.98 1.02 -1.26 -5.07 119.74 119.25 2jxa s LYS 132 Ca 0.30 0.18 -0.20 0.00 0.02 0.00 0.00 55.97 56.27 2jxa s LYS 132 Cb 0.14 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2jxa s LYS 132 CO 0.23 0.49 0.57 0.54 -0.92 0.00 0.00 175.35 176.26 2jxa s VAL 133 N -0.34 5.10 0.00 3.17 0.11 -1.26 -5.17 120.40 122.01 2jxa s VAL 133 Ca 0.19 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 2jxa s VAL 133 Cb -0.14 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2jxa s VAL 133 CO 0.08 0.21 0.00 1.21 -3.33 0.00 0.00 175.10 173.27