#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 -4.55 -4.72 0.99 -0.00 -1.26 -4.90 117.00 102.56 2jxa n LEU 30 Ca 0.00 -0.79 -0.42 0.00 -0.00 0.00 0.00 56.01 54.80 2jxa n LEU 30 Cb 0.00 -2.94 -0.03 0.00 -0.00 0.00 0.00 43.42 40.45 2jxa n LEU 30 CO 0.00 0.25 1.19 -2.16 -0.00 0.00 0.00 177.39 176.67 2jxa s PRO 31 N -5.03 4.24 0.00 1.96 0.04 -1.26 -4.89 135.00 130.05 2jxa s PRO 31 Ca 0.39 2.30 0.30 0.00 0.04 0.00 0.00 61.00 64.03 2jxa s PRO 31 Cb -0.08 -3.17 1.47 0.00 0.04 0.00 0.00 34.50 32.76 2jxa s PRO 31 CO 0.78 -0.57 2.01 1.19 0.04 0.00 0.00 177.00 180.45 2jxa n PHE 32 N 3.92 0.00 -1.99 0.56 3.72 -1.26 -4.89 117.46 117.51 2jxa n PHE 32 Ca 0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.52 2jxa n PHE 32 Cb 0.39 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jxa n GLY 33 N 1.25 0.33 3.33 1.37 0.00 -1.26 -5.04 105.19 105.17 2jxa n GLY 33 Ca 0.15 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.33 -1.27 0.31 0.99 1.98 -1.26 -5.10 118.68 114.00 2jxa s LEU 34 Ca 0.00 1.11 0.00 0.00 -2.89 0.00 0.00 54.13 52.35 2jxa s LEU 34 Cb 0.00 2.19 0.00 0.00 0.66 0.00 0.00 46.19 49.04 2jxa s LEU 34 CO 0.00 -0.24 0.00 0.23 -1.89 0.00 0.00 176.35 174.45 2jxa n MET 35 N 5.43 -5.34 -3.26 1.98 2.81 -1.26 -4.95 117.12 112.53 2jxa n MET 35 Ca -0.05 3.81 -0.32 0.00 -1.81 0.00 0.00 57.70 59.33 2jxa n MET 35 Cb 0.50 -4.19 -0.05 0.00 -0.71 0.00 0.00 33.22 28.77 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 -1.39 3.86 -0.04 0.03 0.52 0.56 -4.90 118.95 117.59 2jxa s ARG 36 Ca 0.00 0.41 -0.03 0.00 -0.52 0.00 0.00 55.73 55.59 2jxa s ARG 36 Cb 0.00 -2.55 0.02 0.00 0.52 0.00 0.00 34.95 32.94 2jxa s ARG 36 CO 0.00 0.22 0.11 0.50 0.02 0.00 0.00 175.30 176.14 2jxa s ARG 37 N -3.03 0.10 0.01 3.54 3.52 -1.26 -1.84 118.95 119.99 2jxa s ARG 37 Ca 0.50 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 2jxa s ARG 37 Cb -0.11 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 2jxa s ARG 37 CO 0.21 -0.06 -0.04 -1.21 -0.81 0.00 0.00 175.30 173.39 2jxa s GLU 38 N 0.37 0.33 -0.00 5.12 8.01 -0.97 -5.01 118.70 126.55 2jxa s GLU 38 Ca -0.03 -0.36 0.00 0.00 0.01 0.00 0.00 54.97 54.60 2jxa s GLU 38 Cb -0.04 -0.20 0.00 0.00 -4.31 0.00 0.00 34.13 29.58 2jxa s GLU 38 CO -0.01 0.04 -0.01 -1.17 0.01 0.00 0.00 175.26 174.12 2jxa s LEU 39 N -0.68 1.93 -0.01 1.80 0.20 -1.26 -1.26 118.68 119.40 2jxa s LEU 39 Ca -0.04 -0.02 -0.01 0.00 0.69 0.00 0.00 54.13 54.75 2jxa s LEU 39 Cb -0.05 -0.06 -0.00 0.00 -0.43 0.00 0.00 46.19 45.65 2jxa s LEU 39 CO -0.00 0.00 0.03 0.00 -0.29 0.00 0.00 176.35 176.09 2jxa s ALA 40 N 0.06 -0.07 0.21 5.97 0.00 -0.84 -4.98 121.76 122.11 2jxa s ALA 40 Ca -0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 2jxa s ALA 40 Cb -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 2jxa s ALA 40 CO -0.00 -0.06 1.25 0.00 0.00 0.00 0.00 175.76 176.95 2jxa n GLU 42 N 2.34 0.68 0.00 0.00 2.13 -1.07 -2.30 120.64 122.42 2jxa n GLU 42 Ca 0.04 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2jxa n GLU 42 Cb 0.44 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 1.74 0.77 3.43 8.31 0.00 -1.05 -4.90 105.19 113.49 2jxa n GLY 43 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.23 2.41 0.47 1.61 2.02 -0.97 -4.78 117.35 115.88 2jxa s TYR 44 Ca 0.00 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.14 2jxa s TYR 44 Cb 0.00 -1.30 -0.07 0.00 -0.40 0.00 0.00 41.96 40.19 2jxa s TYR 44 CO 0.00 0.35 1.20 -1.25 -1.57 0.00 0.00 175.55 174.28 2jxa s PRO 45 N -2.04 3.68 0.03 -1.71 0.04 -1.26 -1.20 135.00 132.54 2jxa s PRO 45 Ca 0.16 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.12 2jxa s PRO 45 Cb -0.10 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 2jxa s PRO 45 CO 0.07 -0.64 -0.16 -1.50 0.04 0.00 0.00 177.00 174.81 2jxa s ILE 46 N -1.49 2.91 -0.11 0.56 2.07 0.94 -4.87 121.20 121.21 2jxa s ILE 46 Ca 0.64 -1.09 0.03 0.00 -1.41 0.00 0.00 60.65 58.82 2jxa s ILE 46 Cb -0.31 -2.22 0.01 0.00 0.13 0.00 0.00 42.46 40.07 2jxa s ILE 46 CO 0.37 0.37 -0.21 -0.70 -1.91 0.00 0.00 174.94 172.86 2jxa s GLU 47 N -1.36 2.83 -0.03 3.50 2.12 -1.26 -2.12 118.70 122.38 2jxa s GLU 47 Ca 0.15 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.74 2jxa s GLU 47 Cb -0.11 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 2jxa s GLU 47 CO 0.05 0.08 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.13 2jxa s LEU 48 N 0.58 2.32 -0.13 2.70 1.43 -0.61 -4.99 118.68 119.98 2jxa s LEU 48 Ca -0.14 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 2jxa s LEU 48 Cb -0.17 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.67 2jxa s LEU 48 CO 0.04 0.33 0.32 -0.13 0.23 0.00 0.00 176.35 177.14 2jxa s ARG 49 N -0.70 0.35 -0.12 1.70 0.52 -1.26 -1.90 118.95 117.53 2jxa s ARG 49 Ca 0.11 0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 55.79 2jxa s ARG 49 Cb -0.10 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 2jxa s ARG 49 CO -0.00 -0.09 0.08 0.00 0.02 0.00 0.00 175.30 175.31 2jxa s PRO 51 N -0.72 2.33 4.41 0.00 0.04 -1.26 -4.63 135.00 135.17 2jxa s PRO 51 Ca 0.12 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2jxa s PRO 51 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2jxa s PRO 51 CO 0.03 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.84 2jxa n GLY 52 N -0.27 2.81 1.78 0.56 0.00 -1.26 -1.56 105.19 107.25 2jxa n GLY 52 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 1.81 4.28 -4.86 1.61 3.41 -1.26 -4.99 113.62 113.62 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 0.04 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 -1.39 5.51 0.03 4.04 1.01 -0.60 -1.81 116.67 123.46 2jxa s ASP 54 Ca 0.52 1.26 0.06 0.00 0.71 0.00 0.00 52.55 55.11 2jxa s ASP 54 Cb 0.43 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 42.22 2jxa s ASP 54 CO 0.11 -1.31 -0.18 0.68 0.21 0.00 0.00 175.17 174.67 2jxa s VAL 55 N -3.27 1.44 0.28 -1.27 -7.23 0.50 -4.32 120.40 106.54 2jxa s VAL 55 Ca 0.58 -1.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 2jxa s VAL 55 Cb -0.12 -1.25 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 2jxa s VAL 55 CO 0.53 0.19 1.30 -0.63 -0.31 0.00 0.00 175.10 176.18 2jxa s ILE 56 N -0.72 2.93 -0.32 -0.62 1.01 0.45 -1.56 121.20 122.37 2jxa s ILE 56 Ca 0.06 0.87 -0.00 0.00 0.00 0.00 0.00 60.65 61.57 2jxa s ILE 56 Cb -0.08 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 38.94 2jxa s ILE 56 CO 0.01 0.18 0.11 0.00 0.00 0.00 0.00 174.94 175.23 2jxa s MET 57 N -1.10 0.82 0.08 2.79 0.23 0.32 -0.97 119.30 121.47 2jxa s MET 57 Ca 0.52 -1.22 -0.31 0.00 -1.03 0.00 0.00 55.69 53.65 2jxa s MET 57 Cb -0.38 -2.10 -0.09 0.00 -1.53 0.00 0.00 34.83 30.72 2jxa s MET 57 CO 0.46 -1.00 1.83 0.08 -2.03 0.00 0.00 175.02 174.36 2jxa s VAL 58 N 1.45 2.82 -0.26 5.16 1.01 -1.26 -2.36 120.40 126.94 2jxa s VAL 58 Ca 0.11 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2jxa s VAL 58 Cb -0.18 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 2jxa s VAL 58 CO -0.21 -0.00 -0.29 -0.62 0.00 0.00 0.00 175.10 173.97 2jxa n GLU 59 N 6.30 0.58 -3.65 2.72 -0.58 -0.61 -4.95 120.64 120.44 2jxa n GLU 59 Ca 0.18 0.30 -0.13 0.00 -0.42 0.00 0.00 57.16 57.09 2jxa n GLU 59 Cb 0.40 -1.52 -0.06 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 -7.33 -0.33 -0.07 1.62 0.01 -0.92 -5.04 114.94 102.89 2jxa s ASN 60 Ca -0.37 0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.58 2jxa s ASN 60 Cb 0.13 0.43 0.11 0.00 0.41 0.00 0.00 41.25 42.33 2jxa s ASN 60 CO 0.50 -0.64 0.96 0.00 -1.51 0.00 0.00 177.10 176.40 2jxa s ALA 61 N -2.22 -1.88 0.03 0.60 0.00 -1.26 -0.56 121.76 116.46 2jxa s ALA 61 Ca -0.07 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 2jxa s ALA 61 Cb -0.01 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2jxa s ALA 61 CO -0.00 -0.58 0.33 1.21 0.00 0.00 0.00 175.76 176.71 2jxa s ASN 62 N -2.10 -0.17 -0.15 0.00 2.47 -0.58 -3.48 114.94 110.93 2jxa s ASN 62 Ca 0.04 -0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.24 2jxa s ASN 62 Cb -0.01 0.36 0.02 0.00 -1.45 0.00 0.00 41.25 40.17 2jxa s ASN 62 CO -0.06 -0.58 -0.16 -0.47 -3.72 0.00 0.00 177.10 172.11 2jxa s TYR 63 N -2.22 2.30 0.00 0.43 6.14 -1.26 -1.63 117.35 121.12 2jxa s TYR 63 Ca -0.07 -1.28 0.00 0.00 0.64 0.00 0.00 57.07 56.36 2jxa s TYR 63 Cb -0.02 -1.66 0.00 0.00 0.42 0.00 0.00 41.96 40.71 2jxa s TYR 63 CO -0.01 -0.67 0.00 0.41 0.64 0.00 0.00 175.55 175.92 2jxa n GLY 64 N 4.61 -0.37 3.30 8.97 0.00 -0.32 -3.37 105.19 118.01 2jxa n GLY 64 Ca -0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 2jxa n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxa s ARG 65 N -1.85 0.44 -0.00 1.61 3.52 -0.85 0.36 118.95 122.18 2jxa s ARG 65 Ca 0.00 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 2jxa s ARG 65 Cb 0.00 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 2jxa s ARG 65 CO 0.00 -0.36 0.90 0.25 -0.81 0.00 0.00 175.30 175.28 2jxa n THR 66 N 5.41 0.80 -3.94 4.11 -2.24 -1.26 -0.55 114.28 116.62 2jxa n THR 66 Ca -0.07 -0.81 -0.09 0.00 -2.27 0.00 0.00 64.05 60.81 2jxa n THR 66 Cb 0.50 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.41 -0.62 0.00 3.42 2.03 -1.26 -4.79 116.55 114.91 2jxa n ASP 67 Ca 0.00 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.24 2jxa n ASP 67 Cb 0.31 1.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 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 -2.00 0.00 -0.75 1.67 5.68 -1.26 -4.60 116.55 115.28 2jxa n ASP 68 Ca 0.02 -1.00 0.07 0.00 -0.50 0.00 0.00 54.79 53.38 2jxa n ASP 68 Cb 0.32 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.45 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 2.15 -5.13 0.11 5.02 -1.26 -4.91 118.16 114.14 2jxa n LYS 69 Ca 0.00 -1.91 -0.32 0.00 -2.02 0.00 0.00 58.31 54.06 2jxa n LYS 69 Cb 0.33 -1.33 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.09 2.43 -0.60 -0.18 -1.09 -1.26 -4.80 121.20 114.60 2jxa s ILE 70 Ca 0.26 -0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 57.62 2jxa s ILE 70 Cb 0.15 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 39.14 2jxa s ILE 70 CO 0.20 0.58 0.65 0.00 -1.23 0.00 0.00 174.94 175.13 2jxa n ASP 72 N -1.15 2.97 -2.80 0.00 2.03 -1.26 -4.96 116.55 111.37 2jxa n ASP 72 Ca -0.02 1.05 -0.16 0.00 0.52 0.00 0.00 54.79 56.18 2jxa n ASP 72 Cb 0.54 -1.35 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 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 4.67 0.54 -1.73 -1.67 0.00 -1.26 -5.13 120.51 115.94 2jxa n ALA 73 Ca 0.20 -1.52 -0.38 0.00 0.00 0.00 0.00 53.44 51.74 2jxa n ALA 73 Cb 0.26 1.20 0.05 0.00 0.00 0.00 0.00 19.45 20.97 2jxa n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jxa n ASP 74 N -1.94 2.33 -0.31 0.00 5.68 -1.26 -4.72 116.55 116.32 2jxa n ASP 74 Ca 0.05 0.92 0.11 0.00 -0.50 0.00 0.00 54.79 55.36 2jxa n ASP 74 Cb 0.47 -1.55 0.32 0.00 -1.14 0.00 0.00 41.12 39.22 2jxa n ASP 74 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2jxa h PRO 75 N 1.09 0.78 -0.28 0.11 0.13 -2.00 0.14 132.00 131.97 2jxa h PRO 75 Ca -0.51 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.32 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2jxa h PRO 75 CO 0.55 0.52 0.10 0.74 -0.23 0.00 0.00 178.00 179.69 2jxa h PHE 76 N 0.81 0.38 -0.01 1.56 -1.00 -1.94 0.44 116.94 117.17 2jxa h PHE 76 Ca 0.48 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.26 2jxa h PHE 76 Cb 0.67 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2jxa h PHE 76 CO -0.00 0.31 -0.35 1.04 -1.61 0.00 0.00 178.31 177.70 2jxa n GLN 77 N -4.42 0.66 0.00 1.51 6.02 0.30 -3.94 117.38 117.52 2jxa n GLN 77 Ca 0.01 -0.41 0.06 0.00 -0.01 0.00 0.00 57.00 56.65 2jxa n GLN 77 Cb 0.13 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.81 2.98 -0.03 -1.09 2.81 -0.05 -2.17 117.12 118.74 2jxa n MET 78 Ca 0.10 -0.11 -0.11 0.00 -1.81 0.00 0.00 57.70 55.76 2jxa n MET 78 Cb 0.35 -1.06 -0.06 0.00 -0.71 0.00 0.00 33.22 31.74 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 0.23 0.21 -6.19 0.03 5.08 -0.34 -3.42 114.58 110.18 2jxa h GLU 79 Ca 0.00 -0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.74 2jxa h GLU 79 Cb 0.30 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 2jxa h GLU 79 CO 0.00 0.34 0.76 1.21 -1.00 0.00 0.00 179.01 180.32 2jxa s ASN 80 N -5.57 6.90 -0.43 1.42 2.47 -1.26 -4.91 114.94 113.56 2jxa s ASN 80 Ca -0.14 1.00 0.05 0.00 0.42 0.00 0.00 52.86 54.19 2jxa s ASN 80 Cb 0.06 -2.52 0.54 0.00 -1.45 0.00 0.00 41.25 37.89 2jxa s ASN 80 CO 0.70 -0.82 1.71 1.33 -3.72 0.00 0.00 177.10 176.30 2jxa n VAL 81 N 5.77 3.01 -3.40 -5.21 0.24 -1.26 -4.77 118.33 112.70 2jxa n VAL 81 Ca 0.10 -2.69 -0.26 0.00 -2.04 0.00 0.00 64.34 59.45 2jxa n VAL 81 Cb 0.47 -0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 32.09 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 -3.44 0.68 -0.13 7.34 -1.52 -0.89 -4.09 119.66 117.61 2jxa s GLN 82 Ca 0.54 -1.49 -0.04 0.00 -1.95 0.00 0.00 55.36 52.42 2jxa s GLN 82 Cb 0.45 -1.21 0.06 0.00 -0.22 0.00 0.00 33.01 32.10 2jxa s GLN 82 CO 0.04 -1.27 0.22 0.00 -0.25 0.00 0.00 175.29 174.03 2jxa s TYR 84 N 2.36 1.43 -0.38 0.00 1.51 -1.26 -2.00 117.35 119.01 2jxa s TYR 84 Ca 0.03 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 2jxa s TYR 84 Cb -0.13 -0.74 0.16 0.00 -0.11 0.00 0.00 41.96 41.14 2jxa s TYR 84 CO -0.08 0.16 0.37 -1.17 -1.11 0.00 0.00 175.55 173.72 2jxa s LEU 85 N -2.49 0.09 0.26 -1.29 2.96 -1.22 -4.89 118.68 112.11 2jxa s LEU 85 Ca 0.10 -1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 52.21 2jxa s LEU 85 Cb -0.05 0.45 0.53 0.00 0.50 0.00 0.00 46.19 47.62 2jxa s LEU 85 CO 0.03 -0.25 1.63 -0.65 -1.32 0.00 0.00 176.35 175.79 2jxa h PRO 86 N 6.88 0.11 0.00 0.98 0.11 -1.92 0.39 132.00 138.54 2jxa h PRO 86 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2jxa h PRO 86 Cb 1.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jxa h PRO 86 CO 0.21 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 177.82 2jxa n ASP 87 N -5.35 0.48 -0.26 -2.05 8.00 -1.26 -2.20 116.55 113.91 2jxa n ASP 87 Ca 0.16 0.71 0.15 0.00 0.71 0.00 0.00 54.79 56.53 2jxa n ASP 87 Cb 0.55 -0.78 0.44 0.00 -0.02 0.00 0.00 41.12 41.31 2jxa n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa h ALA 88 N 2.03 1.99 -0.47 2.24 0.00 -1.19 -0.65 119.26 123.21 2jxa h ALA 88 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jxa h ALA 88 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jxa h ALA 88 CO 0.00 -0.27 0.11 0.35 0.00 0.00 0.00 179.25 179.45 2jxa h PHE 89 N 0.56 0.78 -0.64 0.00 3.57 -1.48 -2.65 116.94 117.08 2jxa h PHE 89 Ca 0.47 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 2jxa h PHE 89 Cb 0.94 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 2jxa h PHE 89 CO -0.00 0.71 0.27 1.57 -2.23 0.00 0.00 178.31 178.63 2jxa h LYS 90 N 0.63 0.95 0.01 1.11 2.10 -1.32 0.12 116.57 120.16 2jxa h LYS 90 Ca 0.15 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2jxa h LYS 90 Cb 0.32 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2jxa h LYS 90 CO 0.00 0.79 -0.00 0.82 -2.00 0.00 0.00 179.45 179.06 2jxa h ILE 91 N 0.89 1.00 -0.30 0.07 2.04 -1.37 -0.82 117.51 119.03 2jxa h ILE 91 Ca 0.21 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.95 2jxa h ILE 91 Cb 0.18 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2jxa h ILE 91 CO -0.02 0.01 -0.21 0.24 0.00 0.00 0.00 178.15 178.17 2jxa h MET 92 N -0.03 0.56 -0.14 2.37 2.86 -1.35 -1.67 114.93 117.53 2jxa h MET 92 Ca -0.00 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2jxa h MET 92 Cb 0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2jxa h MET 92 CO 0.00 0.73 0.09 0.77 1.06 0.00 0.00 176.91 179.56 2jxa h SER 93 N 0.50 0.16 -0.48 1.22 0.02 -0.41 0.35 113.55 114.91 2jxa h SER 93 Ca 0.08 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2jxa h SER 93 Cb 0.64 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2jxa h SER 93 CO 0.05 0.15 -0.09 1.56 -1.14 0.00 0.00 176.83 177.35 2jxa h GLN 94 N 0.16 0.94 -0.05 3.45 4.20 -1.03 0.16 115.11 122.95 2jxa h GLN 94 Ca 0.05 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.24 2jxa h GLN 94 Cb 0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2jxa h GLN 94 CO -0.01 0.99 -0.78 0.00 -0.67 0.00 0.00 178.83 178.36 2jxa h ARG 95 N 0.85 0.33 0.00 1.46 3.08 -1.03 -3.38 114.38 115.69 2jxa h ARG 95 Ca 0.14 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2jxa h ARG 95 Cb 0.63 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2jxa h ARG 95 CO 0.04 0.95 -1.00 0.00 -1.07 0.00 0.00 179.97 178.90 2jxa s ASN 97 N -2.49 6.36 -0.68 0.00 0.01 0.55 -2.13 114.94 116.56 2jxa s ASN 97 Ca -0.01 3.02 0.00 0.00 -0.71 0.00 0.00 52.86 55.16 2jxa s ASN 97 Cb 0.05 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2jxa s ASN 97 CO 0.33 -0.88 0.00 0.59 -1.51 0.00 0.00 177.10 175.63 2jxa n ASN 98 N 0.97 -5.55 -4.47 -1.22 4.13 -0.14 -4.95 115.26 104.03 2jxa n ASN 98 Ca 0.03 0.16 -0.30 0.00 1.68 0.00 0.00 54.58 56.15 2jxa n ASN 98 Cb 0.39 -3.62 -0.12 0.00 -1.54 0.00 0.00 39.78 34.89 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 -2.41 1.98 0.30 3.52 0.52 -0.90 -4.80 118.95 117.16 2jxa s ARG 99 Ca 0.00 -1.05 0.14 0.00 -0.52 0.00 0.00 55.73 54.30 2jxa s ARG 99 Cb 0.00 -2.16 0.42 0.00 0.52 0.00 0.00 34.95 33.73 2jxa s ARG 99 CO 0.00 0.52 1.62 1.15 0.02 0.00 0.00 175.30 178.61 2jxa h THR 100 N 3.83 1.19 -2.96 0.02 2.02 -1.85 1.32 112.91 116.48 2jxa h THR 100 Ca -0.48 -1.99 -0.08 0.00 0.77 0.00 0.00 66.41 64.63 2jxa h THR 100 Cb 1.16 2.13 -0.17 0.00 -1.74 0.00 0.00 68.15 69.53 2jxa h THR 100 CO 0.47 0.53 -0.11 0.00 0.37 0.00 0.00 175.52 176.78 2jxa s GLN 101 N -3.48 0.89 -0.16 6.66 1.03 -1.26 0.10 119.66 123.44 2jxa s GLN 101 Ca -0.00 -0.29 -0.18 0.00 0.04 0.00 0.00 55.36 54.92 2jxa s GLN 101 Cb 0.11 0.40 0.05 0.00 0.03 0.00 0.00 33.01 33.60 2jxa s GLN 101 CO 0.73 -0.29 0.50 0.00 -2.54 0.00 0.00 175.29 173.69 2jxa s VAL 103 N -0.04 2.12 0.00 0.00 1.01 -1.26 -1.57 120.40 120.67 2jxa s VAL 103 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2jxa s VAL 103 Cb -0.03 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 2jxa s VAL 103 CO 0.02 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.97 2jxa s VAL 104 N 0.46 0.08 -0.24 2.92 1.01 -0.90 -4.94 120.40 118.79 2jxa s VAL 104 Ca -0.16 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 2jxa s VAL 104 Cb -0.17 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2jxa s VAL 104 CO 0.06 -0.05 1.01 -0.69 0.00 0.00 0.00 175.10 175.43 2jxa s VAL 105 N -0.21 4.69 -0.14 2.92 1.01 -1.26 -0.04 120.40 127.37 2jxa s VAL 105 Ca -0.02 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2jxa s VAL 105 Cb -0.02 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2jxa s VAL 105 CO -0.00 -0.18 0.23 0.00 0.00 0.00 0.00 175.10 175.14 2jxa n ALA 106 N 6.30 1.69 0.00 5.51 0.00 -0.34 -4.68 120.51 128.99 2jxa n ALA 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2jxa n ALA 106 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.81 -1.35 3.50 0.00 0.00 -1.26 -2.53 105.19 104.36 2jxa n GLY 107 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.51 0.00 0.00 1.61 2.88 -1.26 -3.95 113.62 113.41 2jxa n SER 108 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2jxa n SER 108 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.05 0.00 0.19 -3.46 8.00 -1.26 -1.50 116.55 118.56 2jxa n ASP 109 Ca 0.00 0.47 0.12 0.00 0.71 0.00 0.00 54.79 56.09 2jxa n ASP 109 Cb 0.00 -0.48 0.26 0.00 -0.02 0.00 0.00 41.12 40.88 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 2.13 1.00 -3.45 2.24 0.00 -1.88 -3.44 119.26 115.86 2jxa h ALA 110 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2jxa h ALA 110 Cb 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.51 2jxa h ALA 110 CO 0.00 0.00 -0.70 -0.06 0.00 0.00 0.00 179.25 178.49 2jxa s PHE 111 N -3.19 -0.02 0.00 0.00 0.08 -0.56 -4.99 117.98 109.30 2jxa s PHE 111 Ca 0.08 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.35 2jxa s PHE 111 Cb 0.07 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.32 2jxa s PHE 111 CO 0.64 -0.11 0.00 -2.30 -0.10 0.00 0.00 175.22 173.35 2jxa n PRO 112 N 4.20 2.62 -3.46 0.24 -0.02 -1.26 -4.44 135.00 132.88 2jxa n PRO 112 Ca -0.27 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 60.93 2jxa n PRO 112 Cb 0.50 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.87 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 2.82 0.14 2.55 -1.08 -1.26 -4.89 116.67 112.44 2jxa s ASP 113 Ca 0.00 -2.03 0.10 0.00 -0.52 0.00 0.00 52.55 50.10 2jxa s ASP 113 Cb 0.00 -0.28 -0.14 0.00 -1.46 0.00 0.00 42.92 41.03 2jxa s ASP 113 CO 0.00 -0.32 1.23 1.55 0.52 0.00 0.00 175.17 178.15 2jxa h PRO 114 N 7.16 0.00 -1.79 4.34 0.13 -1.93 -3.41 132.00 136.50 2jxa h PRO 114 Ca 0.03 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.71 2jxa h PRO 114 Cb 0.98 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.80 2jxa h PRO 114 CO 0.27 0.79 -0.86 0.00 -0.23 0.00 0.00 178.00 177.98 2jxa n PRO 116 N 2.49 2.24 -0.12 0.00 -0.02 -1.26 -2.37 135.00 135.95 2jxa n PRO 116 Ca 0.24 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2jxa n PRO 116 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 2.96 0.70 3.44 -1.23 0.00 -1.26 -5.08 105.19 104.71 2jxa n GLY 117 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.15 2.67 -0.75 2.61 2.01 -1.00 -4.25 115.64 114.79 2jxa s THR 118 Ca 0.00 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 60.49 2jxa s THR 118 Cb 0.00 -2.13 0.09 0.00 0.01 0.00 0.00 72.50 70.46 2jxa s THR 118 CO 0.00 0.30 1.03 -0.47 -0.69 0.00 0.00 174.62 174.78 2jxa s TYR 119 N -0.94 2.79 0.00 4.92 5.04 -0.92 -4.99 117.35 123.25 2jxa s TYR 119 Ca 0.15 -0.80 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 2jxa s TYR 119 Cb -0.10 -4.30 0.00 0.00 0.35 0.00 0.00 41.96 37.90 2jxa s TYR 119 CO 0.05 -1.61 0.00 1.63 -1.34 0.00 0.00 175.55 174.28 2jxa n LYS 120 N 7.42 0.75 -3.75 4.97 5.02 -1.26 -4.84 118.16 126.48 2jxa n LYS 120 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 2jxa n LYS 120 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.47 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.18 -0.05 -0.09 2.13 -0.85 0.16 -2.60 117.35 115.87 2jxa s TYR 121 Ca 0.00 -0.19 0.01 0.00 -0.52 0.00 0.00 57.07 56.36 2jxa s TYR 121 Cb 0.00 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.97 2jxa s TYR 121 CO 0.00 -0.62 -0.09 -1.17 -1.52 0.00 0.00 175.55 172.15 2jxa s LEU 122 N -3.11 1.36 -0.12 -3.49 2.96 -0.68 -1.18 118.68 114.42 2jxa s LEU 122 Ca 0.16 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2jxa s LEU 122 Cb 0.01 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 2jxa s LEU 122 CO 0.01 -0.06 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.10 2jxa s GLU 123 N 1.26 3.22 -0.09 1.98 2.12 -0.65 -1.99 118.70 124.55 2jxa s GLU 123 Ca -0.04 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.51 2jxa s GLU 123 Cb -0.14 -2.51 0.03 0.00 0.26 0.00 0.00 34.13 31.77 2jxa s GLU 123 CO -0.03 0.15 -0.04 0.08 -0.54 0.00 0.00 175.26 174.88 2jxa s VAL 124 N 0.46 0.74 -0.21 3.70 1.01 -0.39 -1.52 120.40 124.18 2jxa s VAL 124 Ca -0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2jxa s VAL 124 Cb -0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2jxa s VAL 124 CO 0.05 0.32 0.03 -1.10 0.00 0.00 0.00 175.10 174.41 2jxa s GLN 125 N 1.77 3.69 0.32 2.72 1.11 0.27 -2.29 119.66 127.25 2jxa s GLN 125 Ca 0.04 -0.48 -0.12 0.00 0.01 0.00 0.00 55.36 54.81 2jxa s GLN 125 Cb -0.13 -3.18 0.02 0.00 -1.01 0.00 0.00 33.01 28.71 2jxa s GLN 125 CO -0.06 -0.01 0.60 1.52 0.01 0.00 0.00 175.29 177.34 2jxa s TYR 126 N 1.10 0.42 0.19 0.91 -0.85 -0.77 -1.58 117.35 116.78 2jxa s TYR 126 Ca 0.03 -0.85 0.07 0.00 -0.52 0.00 0.00 57.07 55.80 2jxa s TYR 126 Cb -0.14 0.36 -0.05 0.00 0.38 0.00 0.00 41.96 42.51 2jxa s TYR 126 CO 0.02 -1.23 -0.13 -0.51 -1.52 0.00 0.00 175.55 172.18 2jxa s ASP 127 N -3.08 2.40 -0.29 -0.18 1.11 -1.00 -0.32 116.67 115.31 2jxa s ASP 127 Ca 0.21 -1.02 -0.06 0.00 0.18 0.00 0.00 52.55 51.86 2jxa s ASP 127 Cb -0.03 -0.11 0.01 0.00 1.07 0.00 0.00 42.92 43.87 2jxa s ASP 127 CO 0.13 -0.21 0.07 0.00 1.18 0.00 0.00 175.17 176.34 2jxa s VAL 129 N 1.49 3.01 0.45 0.00 -7.23 -0.60 -4.77 120.40 112.73 2jxa s VAL 129 Ca 0.02 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.13 2jxa s VAL 129 Cb -0.17 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 2jxa s VAL 129 CO 0.02 -0.17 1.36 -2.65 -0.31 0.00 0.00 175.10 173.35 2jxa n PRO 130 N -0.08 2.07 0.00 4.82 -0.02 -1.26 0.19 135.00 140.71 2jxa n PRO 130 Ca -0.10 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2jxa n PRO 130 Cb 0.56 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 -0.28 0.00 -3.34 6.00 9.36 -0.75 -4.67 117.16 123.48 2jxa n TYR 131 Ca 0.06 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.10 2jxa n TYR 131 Cb 0.41 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.04 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 0.00 0.69 -0.18 2.98 1.02 -1.26 -5.06 119.74 117.93 2jxa s LYS 132 Ca 0.00 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.86 2jxa s LYS 132 Cb 0.00 -0.82 0.09 0.00 -0.52 0.00 0.00 37.83 36.57 2jxa s LYS 132 CO 0.00 -1.23 0.36 0.14 -0.92 0.00 0.00 175.35 173.70 2jxa s VAL 133 N 1.19 -0.57 0.00 3.17 -7.23 -1.26 -5.25 120.40 110.46 2jxa s VAL 133 Ca 0.20 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2jxa s VAL 133 Cb -0.13 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.20 2jxa s VAL 133 CO -0.04 0.06 0.00 -0.62 -0.31 0.00 0.00 175.10 174.19