#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 -0.06 -4.74 0.99 4.77 -1.26 -4.77 117.00 111.94 2jxa n LEU 30 Ca 0.00 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.79 2jxa n LEU 30 Cb 0.00 -0.95 0.03 0.00 -2.33 0.00 0.00 43.42 40.17 2jxa n LEU 30 CO 0.00 0.50 0.98 -0.81 -1.33 0.00 0.00 177.39 176.73 2jxa n PRO 31 N -3.44 1.93 0.09 3.23 -0.04 -1.26 -4.94 135.00 130.57 2jxa n PRO 31 Ca -0.07 0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 63.94 2jxa n PRO 31 Cb 0.34 -2.54 -0.14 0.00 -0.04 0.00 0.00 33.50 31.11 2jxa n PRO 31 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jxa h PHE 32 N 1.86 0.45 0.00 0.54 0.04 -1.88 -3.47 116.94 114.47 2jxa h PHE 32 Ca -0.50 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 59.94 2jxa h PHE 32 Cb 1.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2jxa h PHE 32 CO 0.47 1.27 0.00 0.41 -0.60 0.00 0.00 178.31 179.87 2jxa n GLY 33 N 1.54 0.85 3.29 -1.45 0.00 -1.26 -4.97 105.19 103.20 2jxa n GLY 33 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -1.23 0.36 0.99 2.96 -1.26 -5.12 118.68 115.38 2jxa s LEU 34 Ca 0.00 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 2jxa s LEU 34 Cb 0.00 2.11 0.00 0.00 0.50 0.00 0.00 46.19 48.80 2jxa s LEU 34 CO 0.00 -0.25 0.00 0.23 -1.32 0.00 0.00 176.35 175.01 2jxa n MET 35 N 5.43 -3.07 -3.38 1.98 2.81 -1.26 -4.90 117.12 114.72 2jxa n MET 35 Ca -0.05 2.30 -0.32 0.00 -1.81 0.00 0.00 57.70 57.82 2jxa n MET 35 Cb 0.50 -2.82 -0.05 0.00 -0.71 0.00 0.00 33.22 30.14 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 -3.58 3.82 -0.03 0.03 0.52 0.51 -4.84 118.95 115.39 2jxa s ARG 36 Ca 0.00 0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2jxa s ARG 36 Cb 0.00 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.86 2jxa s ARG 36 CO 0.00 0.29 0.06 0.50 0.02 0.00 0.00 175.30 176.18 2jxa s ARG 37 N -2.86 0.05 0.01 3.54 3.52 -1.26 -1.25 118.95 120.70 2jxa s ARG 37 Ca 0.48 0.13 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 2jxa s ARG 37 Cb -0.11 -0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2jxa s ARG 37 CO 0.21 -0.05 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.37 2jxa s GLU 38 N 0.33 0.55 -0.02 5.12 8.01 -0.65 -4.99 118.70 127.04 2jxa s GLU 38 Ca -0.02 -0.35 -0.00 0.00 0.01 0.00 0.00 54.97 54.60 2jxa s GLU 38 Cb -0.04 -0.50 0.02 0.00 -4.31 0.00 0.00 34.13 29.31 2jxa s GLU 38 CO -0.01 0.13 0.03 -1.17 0.01 0.00 0.00 175.26 174.25 2jxa s LEU 39 N -0.45 1.40 0.02 1.80 0.20 -1.26 -0.90 118.68 119.50 2jxa s LEU 39 Ca 0.00 0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.90 2jxa s LEU 39 Cb -0.04 0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.73 2jxa s LEU 39 CO -0.00 -0.08 -0.06 0.00 -0.29 0.00 0.00 176.35 175.92 2jxa s ALA 40 N 0.64 0.42 0.11 5.97 0.00 -0.71 -4.96 121.76 123.23 2jxa s ALA 40 Ca -0.05 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2jxa s ALA 40 Cb -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 2jxa s ALA 40 CO -0.02 0.03 1.27 0.00 0.00 0.00 0.00 175.76 177.03 2jxa n GLU 42 N 3.62 0.40 -0.00 0.00 2.13 -1.04 -2.12 120.64 123.63 2jxa n GLU 42 Ca 0.09 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2jxa n GLU 42 Cb 0.45 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.72 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 0.53 3.49 8.31 0.00 -1.15 -4.91 105.19 113.28 2jxa n GLY 43 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.18 2.43 0.36 1.61 2.02 -0.90 -4.81 117.35 115.89 2jxa s TYR 44 Ca 0.00 -0.30 -0.26 0.00 -0.37 0.00 0.00 57.07 56.14 2jxa s TYR 44 Cb 0.00 -1.16 -0.09 0.00 -0.40 0.00 0.00 41.96 40.31 2jxa s TYR 44 CO 0.00 0.55 1.09 -1.25 -1.57 0.00 0.00 175.55 174.37 2jxa s PRO 45 N -2.94 4.30 0.05 -1.71 0.04 -1.26 -0.61 135.00 132.87 2jxa s PRO 45 Ca 0.24 1.68 0.07 0.00 0.04 0.00 0.00 61.00 63.04 2jxa s PRO 45 Cb -0.08 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2jxa s PRO 45 CO 0.13 -0.06 -0.18 -1.50 0.04 0.00 0.00 177.00 175.43 2jxa s ILE 46 N -1.44 2.81 -0.06 0.56 2.07 0.56 -4.89 121.20 120.81 2jxa s ILE 46 Ca 0.53 -1.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.56 2jxa s ILE 46 Cb -0.27 -2.20 0.02 0.00 0.13 0.00 0.00 42.46 40.13 2jxa s ILE 46 CO 0.35 0.30 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.88 2jxa s GLU 47 N -1.56 1.38 0.04 3.50 2.12 -1.26 -1.83 118.70 121.10 2jxa s GLU 47 Ca 0.15 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.24 2jxa s GLU 47 Cb -0.11 -1.20 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 2jxa s GLU 47 CO 0.06 -0.01 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.13 2jxa s LEU 48 N 0.76 2.88 -0.14 2.70 1.43 -0.63 -4.98 118.68 120.69 2jxa s LEU 48 Ca -0.13 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2jxa s LEU 48 Cb -0.15 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2jxa s LEU 48 CO 0.02 0.25 0.37 -0.13 0.23 0.00 0.00 176.35 177.09 2jxa s ARG 49 N -1.57 0.40 -0.11 1.70 0.52 -1.26 -2.24 118.95 116.39 2jxa s ARG 49 Ca 0.17 0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 55.93 2jxa s ARG 49 Cb -0.11 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 2jxa s ARG 49 CO 0.08 -0.09 0.05 0.00 0.02 0.00 0.00 175.30 175.35 2jxa s PRO 51 N -0.71 2.09 4.18 0.00 0.04 -1.26 -4.60 135.00 134.74 2jxa s PRO 51 Ca 0.12 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2jxa s PRO 51 Cb -0.12 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2jxa s PRO 51 CO 0.02 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2jxa n GLY 52 N 0.11 2.94 1.81 0.56 0.00 -1.26 -1.41 105.19 107.95 2jxa n GLY 52 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 2.45 4.00 -4.88 1.61 3.41 -1.26 -4.98 113.62 113.96 2jxa n SER 53 Ca 0.00 -3.42 -0.30 0.00 -0.26 0.00 0.00 58.87 54.88 2jxa n SER 53 Cb 0.00 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.24 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 -1.48 5.83 0.04 4.04 1.01 -0.50 -2.00 116.67 123.61 2jxa s ASP 54 Ca 0.53 1.22 0.04 0.00 0.71 0.00 0.00 52.55 55.05 2jxa s ASP 54 Cb 0.44 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 2jxa s ASP 54 CO 0.10 -1.09 -0.13 0.68 0.21 0.00 0.00 175.17 174.94 2jxa s VAL 55 N -3.23 1.01 0.29 -1.27 -7.23 0.54 -4.30 120.40 106.21 2jxa s VAL 55 Ca 0.56 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 2jxa s VAL 55 Cb -0.11 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.79 2jxa s VAL 55 CO 0.52 -0.07 1.33 -0.63 -0.31 0.00 0.00 175.10 175.94 2jxa s ILE 56 N -0.95 2.78 -0.34 -0.62 1.01 0.28 -1.82 121.20 121.54 2jxa s ILE 56 Ca -0.00 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2jxa s ILE 56 Cb -0.08 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 39.03 2jxa s ILE 56 CO 0.01 0.15 0.12 0.00 0.00 0.00 0.00 174.94 175.23 2jxa s MET 57 N -1.24 0.89 0.07 2.79 0.23 -0.07 -1.09 119.30 120.88 2jxa s MET 57 Ca 0.52 -1.32 -0.31 0.00 -1.03 0.00 0.00 55.69 53.55 2jxa s MET 57 Cb -0.40 -2.16 -0.08 0.00 -1.53 0.00 0.00 34.83 30.66 2jxa s MET 57 CO 0.49 -1.02 1.60 0.08 -2.03 0.00 0.00 175.02 174.14 2jxa s VAL 58 N 1.31 3.09 -0.25 5.16 1.01 -1.26 -2.32 120.40 127.14 2jxa s VAL 58 Ca 0.11 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 2jxa s VAL 58 Cb -0.19 -3.37 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 2jxa s VAL 58 CO -0.19 0.00 -0.28 -0.62 0.00 0.00 0.00 175.10 174.02 2jxa n GLU 59 N 5.34 0.56 -3.71 2.72 1.02 -0.80 -4.98 120.64 120.79 2jxa n GLU 59 Ca 0.15 0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 57.34 2jxa n GLU 59 Cb 0.41 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.31 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jxa s ASN 60 N -6.86 -0.29 -0.14 1.62 0.01 -1.05 -5.04 114.94 103.19 2jxa s ASN 60 Ca -0.34 0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 51.71 2jxa s ASN 60 Cb 0.11 0.36 0.13 0.00 0.41 0.00 0.00 41.25 42.26 2jxa s ASN 60 CO 0.49 -0.49 1.00 0.00 -1.51 0.00 0.00 177.10 176.59 2jxa s ALA 61 N -1.39 -1.93 0.01 0.60 0.00 -1.26 -0.13 121.76 117.66 2jxa s ALA 61 Ca -0.12 1.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 2jxa s ALA 61 Cb -0.04 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.59 2jxa s ALA 61 CO 0.05 -0.38 0.33 1.21 0.00 0.00 0.00 175.76 176.97 2jxa s ASN 62 N -1.39 -0.20 -0.13 0.00 2.47 0.08 -3.52 114.94 112.26 2jxa s ASN 62 Ca 0.00 0.02 0.03 0.00 0.42 0.00 0.00 52.86 53.33 2jxa s ASN 62 Cb -0.01 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.15 2jxa s ASN 62 CO -0.01 -0.52 -0.22 -0.47 -3.72 0.00 0.00 177.10 172.16 2jxa s TYR 63 N -1.77 2.61 0.00 0.43 5.04 -1.26 -1.29 117.35 121.11 2jxa s TYR 63 Ca -0.10 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 53.27 2jxa s TYR 63 Cb -0.03 -1.77 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2jxa s TYR 63 CO 0.02 -0.56 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 2jxa n GLY 64 N 3.95 -0.23 3.39 8.97 0.00 -0.32 -3.05 105.19 117.89 2jxa n GLY 64 Ca -0.20 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.54 0.46 -0.02 1.61 3.52 -0.78 0.35 118.95 122.55 2jxa s ARG 65 Ca 0.00 1.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.80 2jxa s ARG 65 Cb 0.00 0.53 0.04 0.00 -1.56 0.00 0.00 34.95 33.95 2jxa s ARG 65 CO 0.00 -0.30 0.94 0.25 -0.81 0.00 0.00 175.30 175.38 2jxa n THR 66 N 5.42 0.92 -3.77 4.11 -2.24 -1.26 -0.78 114.28 116.68 2jxa n THR 66 Ca -0.09 -0.97 -0.01 0.00 -2.27 0.00 0.00 64.05 60.72 2jxa n THR 66 Cb 0.49 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.52 -0.06 0.00 3.42 2.03 -1.26 -4.76 116.55 115.40 2jxa n ASP 67 Ca 0.02 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2jxa n ASP 67 Cb 0.35 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -2.46 0.00 -1.00 1.67 5.68 -1.26 -4.44 116.55 114.74 2jxa n ASP 68 Ca 0.00 -0.59 0.10 0.00 -0.50 0.00 0.00 54.79 53.80 2jxa n ASP 68 Cb 0.03 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.21 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 2.37 -4.52 0.11 5.02 -1.26 -4.80 118.16 115.08 2jxa n LYS 69 Ca 0.00 -2.16 -0.34 0.00 -2.02 0.00 0.00 58.31 53.78 2jxa n LYS 69 Cb 0.15 -1.44 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.26 3.96 -1.55 -0.18 -1.09 -1.26 -4.38 121.20 115.42 2jxa s ILE 70 Ca 0.34 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 2jxa s ILE 70 Cb 0.20 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2jxa s ILE 70 CO 0.27 0.60 0.00 0.00 -1.23 0.00 0.00 174.94 174.58 2jxa n ASP 72 N -0.83 0.00 -1.53 0.00 5.68 -1.26 -4.87 116.55 113.74 2jxa n ASP 72 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 2jxa n ASP 72 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.00 0.00 -1.76 2.12 0.00 -1.26 -5.09 120.51 114.52 2jxa n ALA 73 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2jxa n ALA 73 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.68 5.55 0.30 0.00 -4.77 -1.26 -4.78 116.67 111.02 2jxa s ASP 74 Ca 0.00 2.72 -0.01 0.00 -3.30 0.00 0.00 52.55 51.96 2jxa s ASP 74 Cb 0.00 -2.63 0.46 0.00 -1.09 0.00 0.00 42.92 39.66 2jxa s ASP 74 CO 0.00 -1.38 1.94 1.55 0.70 0.00 0.00 175.17 177.99 2jxa h PRO 75 N 1.75 1.07 -0.73 2.11 0.13 -1.98 0.34 132.00 134.69 2jxa h PRO 75 Ca -0.51 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.50 2jxa h PRO 75 Cb 1.28 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2jxa h PRO 75 CO 0.59 0.71 0.23 0.74 -0.23 0.00 0.00 178.00 180.03 2jxa h PHE 76 N 1.10 1.17 0.00 1.56 0.04 -1.97 1.76 116.94 120.61 2jxa h PHE 76 Ca 0.34 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2jxa h PHE 76 Cb -0.00 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.81 2jxa h PHE 76 CO -0.00 0.92 -0.25 1.04 -0.60 0.00 0.00 178.31 179.42 2jxa n GLN 77 N -4.25 0.02 0.00 1.51 6.02 -0.85 -3.56 117.38 116.26 2jxa n GLN 77 Ca 0.06 0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.12 2jxa n GLN 77 Cb 0.23 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 29.99 2jxa n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jxa n MET 78 N -1.54 1.50 -0.12 -1.09 2.81 0.11 -1.09 117.12 117.70 2jxa n MET 78 Ca 0.06 -0.86 -0.11 0.00 -1.81 0.00 0.00 57.70 54.99 2jxa n MET 78 Cb 0.34 -1.16 -0.03 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.67 0.61 -6.15 0.03 5.08 0.26 -3.41 114.58 112.67 2jxa h GLU 79 Ca 0.00 -0.20 -0.57 0.00 -1.00 0.00 0.00 59.36 57.59 2jxa h GLU 79 Cb 0.43 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2jxa h GLU 79 CO 0.00 0.74 0.79 1.21 -1.00 0.00 0.00 179.01 180.75 2jxa s ASN 80 N -6.13 7.07 -0.31 1.42 2.47 -1.26 -4.92 114.94 113.28 2jxa s ASN 80 Ca -0.13 1.53 0.08 0.00 0.42 0.00 0.00 52.86 54.76 2jxa s ASN 80 Cb 0.09 -2.54 0.50 0.00 -1.45 0.00 0.00 41.25 37.85 2jxa s ASN 80 CO 0.78 -0.66 1.48 1.33 -3.72 0.00 0.00 177.10 176.31 2jxa n VAL 81 N 5.16 2.62 -3.42 -5.21 0.24 -1.26 -4.70 118.33 111.75 2jxa n VAL 81 Ca 0.12 -2.89 -0.28 0.00 -2.04 0.00 0.00 64.34 59.26 2jxa n VAL 81 Cb 0.46 -0.42 -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 -0.19 7.34 -1.52 -0.95 -4.10 119.66 117.60 2jxa s GLN 82 Ca 0.46 -1.58 -0.05 0.00 -1.95 0.00 0.00 55.36 52.23 2jxa s GLN 82 Cb 0.41 -1.30 0.09 0.00 -0.22 0.00 0.00 33.01 32.00 2jxa s GLN 82 CO -0.00 -1.28 0.36 0.00 -0.25 0.00 0.00 175.29 174.12 2jxa s TYR 84 N 2.54 1.61 -0.39 0.00 1.51 -1.26 -1.87 117.35 119.49 2jxa s TYR 84 Ca 0.02 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 2jxa s TYR 84 Cb -0.13 -0.79 0.16 0.00 -0.11 0.00 0.00 41.96 41.09 2jxa s TYR 84 CO -0.12 0.27 0.39 -1.17 -1.11 0.00 0.00 175.55 173.81 2jxa s LEU 85 N -2.94 0.17 0.28 -1.29 2.96 -1.17 -4.89 118.68 111.81 2jxa s LEU 85 Ca 0.17 -1.94 -0.01 0.00 -0.22 0.00 0.00 54.13 52.13 2jxa s LEU 85 Cb -0.03 0.43 0.65 0.00 0.50 0.00 0.00 46.19 47.74 2jxa s LEU 85 CO 0.05 -0.22 1.62 -0.65 -1.32 0.00 0.00 176.35 175.83 2jxa h PRO 86 N 6.57 0.11 -0.35 0.98 0.11 -1.91 0.12 132.00 137.62 2jxa h PRO 86 Ca 0.10 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.30 2jxa h PRO 86 Cb 1.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jxa h PRO 86 CO 0.21 0.07 0.33 -0.44 -0.21 0.00 0.00 178.00 177.96 2jxa h ASP 87 N 0.11 0.00 -0.87 -2.05 3.32 -1.96 -1.46 116.42 113.52 2jxa h ASP 87 Ca 0.53 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.80 2jxa h ASP 87 Cb 1.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 2jxa h ASP 87 CO -0.75 0.00 0.59 0.00 -1.72 0.00 0.00 179.24 177.37 2jxa h ALA 88 N 1.67 2.42 -0.31 3.45 0.00 -1.26 -0.70 119.26 124.52 2jxa h ALA 88 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2jxa h ALA 88 Cb 0.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jxa h ALA 88 CO -0.00 -0.69 -0.00 0.35 0.00 0.00 0.00 179.25 178.91 2jxa h PHE 89 N 0.25 0.60 -0.66 0.00 3.57 -1.30 -2.64 116.94 116.76 2jxa h PHE 89 Ca 0.44 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 2jxa h PHE 89 Cb 1.32 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 2jxa h PHE 89 CO -0.00 0.68 0.12 1.57 -2.23 0.00 0.00 178.31 178.45 2jxa h LYS 90 N 0.35 1.10 -0.08 1.11 2.10 -1.31 -0.43 116.57 119.41 2jxa h LYS 90 Ca 0.09 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2jxa h LYS 90 Cb 0.44 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2jxa h LYS 90 CO 0.02 1.00 0.05 0.82 -2.00 0.00 0.00 179.45 179.33 2jxa h ILE 91 N 1.02 1.01 -0.10 0.07 2.04 -1.32 -1.84 117.51 118.39 2jxa h ILE 91 Ca 0.20 -0.03 -0.18 0.00 1.00 0.00 0.00 64.86 65.85 2jxa h ILE 91 Cb 0.43 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2jxa h ILE 91 CO 0.01 0.02 -0.68 0.24 0.00 0.00 0.00 178.15 177.74 2jxa h MET 92 N 0.09 0.43 -0.76 2.37 2.86 -1.41 -2.69 114.93 115.82 2jxa h MET 92 Ca 0.03 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2jxa h MET 92 Cb -0.01 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2jxa h MET 92 CO -0.01 0.95 0.48 0.77 1.06 0.00 0.00 176.91 180.16 2jxa h SER 93 N 0.30 0.78 -0.19 1.22 0.02 -0.91 0.48 113.55 115.25 2jxa h SER 93 Ca -0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2jxa h SER 93 Cb 1.24 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2jxa h SER 93 CO 0.12 0.54 -0.15 1.56 -1.14 0.00 0.00 176.83 177.76 2jxa h GLN 94 N 0.93 0.59 0.04 3.45 4.20 -1.27 0.19 115.11 123.23 2jxa h GLN 94 Ca 0.31 -0.19 -0.22 0.00 0.06 0.00 0.00 58.65 58.60 2jxa h GLN 94 Cb 0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2jxa h GLN 94 CO -0.12 0.72 -1.04 0.00 -0.67 0.00 0.00 178.83 177.72 2jxa h ARG 95 N 0.54 0.11 0.00 1.46 3.08 -0.88 -3.39 114.38 115.30 2jxa h ARG 95 Ca 0.09 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2jxa h ARG 95 Cb 0.57 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2jxa h ARG 95 CO 0.04 1.05 -1.38 0.00 -1.07 0.00 0.00 179.97 178.60 2jxa s ASN 97 N -3.01 6.38 -0.59 0.00 0.01 0.64 -1.84 114.94 116.53 2jxa s ASN 97 Ca -0.03 2.93 0.00 0.00 -0.71 0.00 0.00 52.86 55.05 2jxa s ASN 97 Cb 0.05 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2jxa s ASN 97 CO 0.33 -0.92 0.00 0.59 -1.51 0.00 0.00 177.10 175.59 2jxa n ASN 98 N 2.42 -4.97 -4.46 -1.22 4.13 -0.25 -4.95 115.26 105.96 2jxa n ASN 98 Ca 0.09 0.14 -0.30 0.00 1.68 0.00 0.00 54.58 56.19 2jxa n ASN 98 Cb 0.37 -2.96 -0.12 0.00 -1.54 0.00 0.00 39.78 35.53 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 -2.10 1.86 0.25 3.52 0.52 -0.77 -4.84 118.95 117.39 2jxa s ARG 99 Ca 0.00 -1.12 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 2jxa s ARG 99 Cb 0.00 -2.12 0.28 0.00 0.52 0.00 0.00 34.95 33.63 2jxa s ARG 99 CO 0.00 0.50 1.57 1.15 0.02 0.00 0.00 175.30 178.55 2jxa h THR 100 N 3.75 1.40 -3.07 0.02 2.02 -1.85 0.79 112.91 115.97 2jxa h THR 100 Ca -0.49 -2.02 -0.06 0.00 0.77 0.00 0.00 66.41 64.61 2jxa h THR 100 Cb 1.16 2.04 -0.15 0.00 -1.74 0.00 0.00 68.15 69.46 2jxa h THR 100 CO 0.46 0.59 -0.06 0.00 0.37 0.00 0.00 175.52 176.88 2jxa s GLN 101 N -3.72 1.00 -0.09 6.66 1.03 -1.26 -0.31 119.66 122.97 2jxa s GLN 101 Ca -0.03 -0.43 -0.22 0.00 0.04 0.00 0.00 55.36 54.71 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 0.79 -0.36 0.53 0.00 -2.54 0.00 0.00 175.29 173.71 2jxa s VAL 103 N -0.75 1.39 -0.05 0.00 1.01 -1.26 -1.61 120.40 119.14 2jxa s VAL 103 Ca -0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2jxa s VAL 103 Cb -0.03 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2jxa s VAL 103 CO 0.05 0.41 0.14 -0.69 0.00 0.00 0.00 175.10 175.01 2jxa s VAL 104 N 0.32 -0.00 -0.21 2.92 1.01 -0.76 -4.93 120.40 118.75 2jxa s VAL 104 Ca -0.10 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2jxa s VAL 104 Cb -0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 2jxa s VAL 104 CO 0.04 0.00 1.22 -0.69 0.00 0.00 0.00 175.10 175.67 2jxa s VAL 105 N 0.13 4.34 -0.11 2.92 1.01 -1.26 -0.33 120.40 127.10 2jxa s VAL 105 Ca -0.01 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2jxa s VAL 105 Cb -0.02 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2jxa s VAL 105 CO -0.00 -0.23 0.19 0.00 0.00 0.00 0.00 175.10 175.05 2jxa n ALA 106 N 6.79 1.65 0.00 5.51 0.00 0.23 -4.67 120.51 130.02 2jxa n ALA 106 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 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 0.84 -1.25 3.01 0.00 0.00 -1.26 -2.92 105.19 103.61 2jxa n GLY 107 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.27 0.00 0.00 1.61 2.88 -1.26 -4.06 113.62 113.05 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 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.12 0.00 0.11 -3.46 8.00 -1.26 -1.20 116.55 118.86 2jxa n ASP 109 Ca 0.00 0.45 0.13 0.00 0.71 0.00 0.00 54.79 56.08 2jxa n ASP 109 Cb 0.00 -0.46 0.35 0.00 -0.02 0.00 0.00 41.12 40.99 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 2.17 0.95 -3.39 2.24 0.00 -1.89 -3.43 119.26 115.91 2jxa h ALA 110 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2jxa h ALA 110 Cb 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.51 2jxa h ALA 110 CO 0.00 0.00 -0.76 -0.06 0.00 0.00 0.00 179.25 178.43 2jxa s PHE 111 N -3.12 0.61 0.00 0.00 0.08 -0.34 -4.99 117.98 110.22 2jxa s PHE 111 Ca 0.10 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2jxa s PHE 111 Cb 0.12 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.91 2jxa s PHE 111 CO 0.62 -0.23 0.00 -2.30 -0.10 0.00 0.00 175.22 173.21 2jxa n PRO 112 N 4.50 2.21 -3.52 0.24 -0.02 -1.26 -4.50 135.00 132.64 2jxa n PRO 112 Ca -0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 2jxa n PRO 112 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.85 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 -2.54 3.25 0.08 2.55 -1.08 -1.26 -4.92 116.67 112.75 2jxa s ASP 113 Ca 0.00 -1.96 0.25 0.00 -0.52 0.00 0.00 52.55 50.32 2jxa s ASP 113 Cb 0.00 -0.48 0.55 0.00 -1.46 0.00 0.00 42.92 41.53 2jxa s ASP 113 CO 0.00 -0.35 1.47 -0.81 0.52 0.00 0.00 175.17 176.00 2jxa n PRO 114 N 4.36 0.17 -3.01 4.34 -0.04 -1.26 -4.74 135.00 134.82 2jxa n PRO 114 Ca 0.06 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2jxa n PRO 114 Cb 0.38 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2jxa n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jxa s PRO 116 N 2.15 4.57 0.00 0.00 0.04 -1.26 -3.85 135.00 136.65 2jxa s PRO 116 Ca 0.16 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2jxa s PRO 116 Cb -0.01 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2jxa s PRO 116 CO -0.14 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2jxa n GLY 117 N 2.43 1.06 3.19 0.56 0.00 -1.26 -5.10 105.19 106.07 2jxa n GLY 117 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2jxa n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxa s THR 118 N -2.00 1.34 -0.75 2.61 2.01 -1.25 -4.45 115.64 113.14 2jxa s THR 118 Ca 0.00 -1.10 -0.24 0.00 0.31 0.00 0.00 61.69 60.66 2jxa s THR 118 Cb 0.00 -1.19 0.05 0.00 0.01 0.00 0.00 72.50 71.37 2jxa s THR 118 CO 0.00 0.07 1.17 -0.47 -0.69 0.00 0.00 174.62 174.71 2jxa s TYR 119 N -0.85 2.50 0.00 4.92 5.04 -0.25 -4.97 117.35 123.74 2jxa s TYR 119 Ca 0.04 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 2jxa s TYR 119 Cb -0.08 -4.49 0.00 0.00 0.35 0.00 0.00 41.96 37.73 2jxa s TYR 119 CO 0.02 -1.87 0.00 1.63 -1.34 0.00 0.00 175.55 173.98 2jxa n LYS 120 N 8.54 0.10 -3.80 4.97 5.02 -1.26 -4.87 118.16 126.86 2jxa n LYS 120 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.31 2jxa n LYS 120 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 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 -0.71 -0.03 -0.13 2.13 -0.85 0.15 -2.49 117.35 115.43 2jxa s TYR 121 Ca 0.00 -0.30 -0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2jxa s TYR 121 Cb 0.00 0.66 0.03 0.00 0.38 0.00 0.00 41.96 43.03 2jxa s TYR 121 CO 0.00 -0.82 -0.08 -1.17 -1.52 0.00 0.00 175.55 171.95 2jxa s LEU 122 N -3.15 1.32 -0.11 -3.49 2.96 -0.47 -1.17 118.68 114.57 2jxa s LEU 122 Ca 0.17 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2jxa s LEU 122 Cb -0.01 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 2jxa s LEU 122 CO 0.03 -0.12 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.10 2jxa s GLU 123 N 1.67 3.17 0.06 1.98 2.12 -0.41 -1.74 118.70 125.54 2jxa s GLU 123 Ca 0.04 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.73 2jxa s GLU 123 Cb -0.13 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 2jxa s GLU 123 CO -0.09 0.31 -0.13 0.08 -0.54 0.00 0.00 175.26 174.89 2jxa s VAL 124 N 0.10 1.04 -0.04 3.70 1.01 -0.08 -0.74 120.40 125.40 2jxa s VAL 124 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2jxa s VAL 124 Cb -0.15 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2jxa s VAL 124 CO 0.05 -0.21 -0.01 -1.10 0.00 0.00 0.00 175.10 173.82 2jxa s GLN 125 N -1.62 0.54 0.33 2.72 -0.21 0.81 -1.64 119.66 120.59 2jxa s GLN 125 Ca -0.02 0.02 -0.17 0.00 0.02 0.00 0.00 55.36 55.21 2jxa s GLN 125 Cb -0.10 -0.70 0.03 0.00 1.00 0.00 0.00 33.01 33.25 2jxa s GLN 125 CO 0.02 -0.15 0.72 1.52 -2.12 0.00 0.00 175.29 175.28 2jxa s TYR 126 N 1.17 0.06 0.19 0.91 -0.85 -0.38 -1.90 117.35 116.54 2jxa s TYR 126 Ca -0.07 -0.59 0.08 0.00 -0.52 0.00 0.00 57.07 55.96 2jxa s TYR 126 Cb -0.14 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 2jxa s TYR 126 CO -0.02 -1.36 -0.15 -0.51 -1.52 0.00 0.00 175.55 171.99 2jxa s ASP 127 N -3.01 2.55 -0.22 -0.18 1.11 -0.98 -0.37 116.67 115.58 2jxa s ASP 127 Ca 0.15 -0.96 -0.07 0.00 0.18 0.00 0.00 52.55 51.86 2jxa s ASP 127 Cb -0.05 -0.14 -0.03 0.00 1.07 0.00 0.00 42.92 43.77 2jxa s ASP 127 CO 0.10 -0.13 0.05 0.00 1.18 0.00 0.00 175.17 176.36 2jxa s VAL 129 N 1.12 1.25 0.48 0.00 -7.23 -0.76 -4.83 120.40 110.43 2jxa s VAL 129 Ca 0.04 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.08 2jxa s VAL 129 Cb -0.14 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.04 2jxa s VAL 129 CO 0.03 -0.59 1.31 -2.65 -0.31 0.00 0.00 175.10 172.89 2jxa n PRO 130 N 0.16 1.87 0.00 4.82 -0.02 -1.26 0.20 135.00 140.77 2jxa n PRO 130 Ca -0.13 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2jxa n PRO 130 Cb 0.59 -2.48 0.69 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.54 0.00 -3.87 6.00 9.36 -0.85 -4.67 117.16 122.59 2jxa n TYR 131 Ca 0.08 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.11 2jxa n TYR 131 Cb 0.42 -0.20 -0.17 0.00 -0.63 0.00 0.00 39.34 38.76 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 -2.40 0.30 -0.12 2.98 2.20 -1.26 -5.09 119.74 116.35 2jxa s LYS 132 Ca 0.29 0.12 -0.15 0.00 -0.36 0.00 0.00 55.97 55.87 2jxa s LYS 132 Cb 0.18 -0.56 -0.05 0.00 -1.51 0.00 0.00 37.83 35.89 2jxa s LYS 132 CO 0.37 -0.19 0.35 0.14 -0.36 0.00 0.00 175.35 175.67 2jxa s VAL 133 N 1.31 5.23 0.00 4.02 -7.23 -1.26 -5.19 120.40 117.28 2jxa s VAL 133 Ca -0.06 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 2jxa s VAL 133 Cb -0.13 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2jxa s VAL 133 CO -0.02 0.42 0.00 -0.62 -0.31 0.00 0.00 175.10 174.57