#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 -5.26 0.00 0.99 4.32 -1.26 -5.03 117.00 110.76 2jxa n LEU 30 Ca 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.74 2jxa n LEU 30 Cb 0.00 -2.66 0.00 0.00 -1.62 0.00 0.00 43.42 39.14 2jxa n LEU 30 CO 0.00 -0.47 0.00 -0.81 -1.22 0.00 0.00 177.39 174.89 2jxa n PRO 31 N -2.08 0.00 0.00 3.23 -0.04 -1.26 -4.35 135.00 130.50 2jxa n PRO 31 Ca -0.02 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.59 2jxa n PRO 31 Cb 0.54 -0.15 0.75 0.00 -0.04 0.00 0.00 33.50 34.60 2jxa n PRO 31 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jxa n PHE 32 N 0.00 0.00 -0.99 0.54 7.35 -1.26 -4.88 117.46 118.22 2jxa n PHE 32 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2jxa n PHE 32 Cb 0.00 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 39.53 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 1.30 0.40 2.73 7.13 0.00 -1.26 -4.93 105.19 110.56 2jxa n GLY 33 Ca 0.14 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.44 -0.86 0.99 7.94 -1.26 -5.14 117.00 116.23 2jxa n LEU 34 Ca 0.00 -3.43 0.09 0.00 -1.11 0.00 0.00 56.01 51.55 2jxa n LEU 34 Cb 0.00 0.90 -0.03 0.00 0.53 0.00 0.00 43.42 44.82 2jxa n LEU 34 CO 0.00 2.02 -0.19 0.23 -1.11 0.00 0.00 177.39 178.34 2jxa n MET 35 N 0.81 -1.44 -3.50 1.96 2.81 -1.26 -4.72 117.12 111.77 2jxa n MET 35 Ca 0.06 1.04 -0.36 0.00 -1.81 0.00 0.00 57.70 56.63 2jxa n MET 35 Cb 0.68 -1.91 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.62 3.87 -0.10 0.03 0.52 -0.84 -4.66 118.95 115.16 2jxa s ARG 36 Ca 0.00 0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 55.48 2jxa s ARG 36 Cb 0.00 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.41 2jxa s ARG 36 CO 0.00 0.61 0.24 0.50 0.02 0.00 0.00 175.30 176.67 2jxa s ARG 37 N -1.53 0.25 0.02 3.54 3.52 -1.26 -1.97 118.95 121.52 2jxa s ARG 37 Ca 0.30 0.42 0.04 0.00 -0.13 0.00 0.00 55.73 56.35 2jxa s ARG 37 Cb -0.15 0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2jxa s ARG 37 CO 0.16 -0.09 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.24 2jxa s GLU 38 N 0.60 0.81 0.00 5.12 0.41 -1.00 -5.02 118.70 119.62 2jxa s GLU 38 Ca -0.04 -0.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 2jxa s GLU 38 Cb -0.05 -0.77 -0.00 0.00 -1.78 0.00 0.00 34.13 31.53 2jxa s GLU 38 CO -0.03 0.20 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.75 2jxa s LEU 39 N -0.77 2.03 -0.00 1.80 0.20 -1.26 -1.76 118.68 118.91 2jxa s LEU 39 Ca 0.01 -0.07 -0.01 0.00 0.69 0.00 0.00 54.13 54.75 2jxa s LEU 39 Cb -0.06 -0.05 -0.00 0.00 -0.43 0.00 0.00 46.19 45.65 2jxa s LEU 39 CO 0.00 -0.02 0.02 0.00 -0.29 0.00 0.00 176.35 176.07 2jxa s ALA 40 N -0.18 -0.05 0.22 5.97 0.00 -0.95 -5.00 121.76 121.77 2jxa s ALA 40 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2jxa s ALA 40 Cb -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 2jxa s ALA 40 CO -0.00 -0.06 1.40 0.00 0.00 0.00 0.00 175.76 177.10 2jxa n GLU 42 N 2.55 0.56 -0.21 0.00 2.13 -1.24 -1.65 120.64 122.78 2jxa n GLU 42 Ca 0.07 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2jxa n GLU 42 Cb 0.41 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.85 0.97 3.44 8.31 0.00 -0.78 -4.90 105.19 114.09 2jxa n GLY 43 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.63 2.43 0.38 1.61 1.51 -0.66 -4.78 117.35 115.22 2jxa s TYR 44 Ca 0.00 -0.32 -0.27 0.00 -1.01 0.00 0.00 57.07 55.47 2jxa s TYR 44 Cb 0.00 -1.30 -0.09 0.00 -0.11 0.00 0.00 41.96 40.46 2jxa s TYR 44 CO 0.00 0.37 1.31 -1.25 -1.11 0.00 0.00 175.55 174.87 2jxa s PRO 45 N -2.11 4.09 0.05 -1.71 0.04 -1.26 -0.50 135.00 133.60 2jxa s PRO 45 Ca 0.16 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.47 2jxa s PRO 45 Cb -0.10 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 2jxa s PRO 45 CO 0.08 -0.40 -0.21 -1.50 0.04 0.00 0.00 177.00 175.02 2jxa s ILE 46 N -1.22 2.61 -0.07 0.56 2.07 0.34 -4.85 121.20 120.64 2jxa s ILE 46 Ca 0.54 -1.29 0.02 0.00 -1.41 0.00 0.00 60.65 58.52 2jxa s ILE 46 Cb -0.39 -2.09 0.01 0.00 0.13 0.00 0.00 42.46 40.12 2jxa s ILE 46 CO 0.51 0.32 -0.14 -0.70 -1.91 0.00 0.00 174.94 173.01 2jxa s GLU 47 N -1.47 1.89 -0.03 3.50 2.12 -1.26 -1.11 118.70 122.34 2jxa s GLU 47 Ca 0.14 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.03 2jxa s GLU 47 Cb -0.10 -1.55 -0.03 0.00 0.26 0.00 0.00 34.13 32.71 2jxa s GLU 47 CO 0.05 0.03 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.18 2jxa s LEU 48 N 0.69 2.96 -0.14 2.70 1.43 -0.11 -4.96 118.68 121.25 2jxa s LEU 48 Ca -0.14 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2jxa s LEU 48 Cb -0.16 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.45 2jxa s LEU 48 CO 0.04 0.32 0.34 -0.13 0.23 0.00 0.00 176.35 177.15 2jxa s ARG 49 N -1.03 0.34 -0.05 1.70 0.52 -1.26 -1.24 118.95 117.92 2jxa s ARG 49 Ca 0.14 0.62 -0.03 0.00 -0.52 0.00 0.00 55.73 55.94 2jxa s ARG 49 Cb -0.11 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2jxa s ARG 49 CO 0.03 -0.13 0.10 0.00 0.02 0.00 0.00 175.30 175.33 2jxa s PRO 51 N -1.41 2.27 4.81 0.00 0.04 -1.26 -4.69 135.00 134.76 2jxa s PRO 51 Ca 0.20 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2jxa s PRO 51 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jxa s PRO 51 CO 0.10 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2jxa n GLY 52 N -1.57 3.25 0.99 0.56 0.00 -1.26 -1.61 105.19 105.56 2jxa n GLY 52 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 3.94 2.91 -4.86 1.61 3.41 -1.26 -5.02 113.62 114.34 2jxa n SER 53 Ca 0.00 -3.48 -0.30 0.00 -0.26 0.00 0.00 58.87 54.83 2jxa n SER 53 Cb 0.00 -0.59 0.08 0.00 -0.26 0.00 0.00 64.21 63.44 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 -2.38 4.76 0.03 4.04 1.11 -0.63 -1.60 116.67 122.00 2jxa s ASP 54 Ca 0.43 1.04 0.06 0.00 0.18 0.00 0.00 52.55 54.26 2jxa s ASP 54 Cb 0.38 -1.71 -0.02 0.00 1.07 0.00 0.00 42.92 42.64 2jxa s ASP 54 CO 0.03 -1.77 -0.17 0.68 1.18 0.00 0.00 175.17 175.12 2jxa s VAL 55 N -3.38 1.34 0.30 -1.27 -7.23 0.25 -4.31 120.40 106.10 2jxa s VAL 55 Ca 0.60 -0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 2jxa s VAL 55 Cb -0.12 -1.17 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 2jxa s VAL 55 CO 0.52 0.16 1.25 -0.63 -0.31 0.00 0.00 175.10 176.09 2jxa s ILE 56 N -0.71 3.02 -0.27 -0.62 1.01 0.28 -2.34 121.20 121.56 2jxa s ILE 56 Ca 0.05 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 61.67 2jxa s ILE 56 Cb -0.08 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.85 2jxa s ILE 56 CO 0.01 0.22 0.08 0.00 0.00 0.00 0.00 174.94 175.25 2jxa s MET 57 N -1.42 0.71 0.07 2.79 0.23 -0.59 -1.31 119.30 119.77 2jxa s MET 57 Ca 0.49 -0.86 -0.31 0.00 -1.03 0.00 0.00 55.69 53.98 2jxa s MET 57 Cb -0.37 -1.99 -0.08 0.00 -1.53 0.00 0.00 34.83 30.85 2jxa s MET 57 CO 0.47 -0.88 1.65 0.08 -2.03 0.00 0.00 175.02 174.31 2jxa s VAL 58 N 1.70 3.02 -0.23 5.16 1.01 -1.26 -2.32 120.40 127.48 2jxa s VAL 58 Ca 0.06 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 2jxa s VAL 58 Cb -0.17 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2jxa s VAL 58 CO -0.21 -0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.97 2jxa n GLU 59 N 5.55 0.50 -3.77 2.72 1.02 0.16 -4.97 120.64 121.85 2jxa n GLU 59 Ca 0.16 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.39 2jxa n GLU 59 Cb 0.40 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.39 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 -7.02 -0.25 -0.05 1.62 0.01 -1.04 -5.02 114.94 103.19 2jxa s ASN 60 Ca -0.32 0.35 -0.29 0.00 -0.71 0.00 0.00 52.86 51.88 2jxa s ASN 60 Cb 0.12 0.48 0.11 0.00 0.41 0.00 0.00 41.25 42.36 2jxa s ASN 60 CO 0.41 -0.28 0.89 0.00 -1.51 0.00 0.00 177.10 176.62 2jxa s ALA 61 N -0.60 -1.84 0.05 0.60 0.00 -1.26 0.01 121.76 118.72 2jxa s ALA 61 Ca -0.07 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 2jxa s ALA 61 Cb -0.04 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2jxa s ALA 61 CO 0.02 -0.55 0.39 1.21 0.00 0.00 0.00 175.76 176.83 2jxa s ASN 62 N -1.98 -0.25 -0.15 0.00 2.47 -0.78 -3.51 114.94 110.75 2jxa s ASN 62 Ca 0.02 -0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.26 2jxa s ASN 62 Cb -0.01 0.41 0.02 0.00 -1.45 0.00 0.00 41.25 40.22 2jxa s ASN 62 CO -0.04 -0.66 -0.18 -0.47 -3.72 0.00 0.00 177.10 172.02 2jxa s TYR 63 N -2.54 2.41 -1.23 0.43 5.04 -1.26 -2.21 117.35 117.99 2jxa s TYR 63 Ca -0.05 -1.29 0.00 0.00 -2.44 0.00 0.00 57.07 53.29 2jxa s TYR 63 Cb -0.01 -1.69 0.00 0.00 0.35 0.00 0.00 41.96 40.61 2jxa s TYR 63 CO -0.03 -0.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.94 2jxa n GLY 64 N 4.43 -0.34 3.21 8.97 0.00 -0.64 -3.28 105.19 117.54 2jxa n GLY 64 Ca -0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 0.31 0.00 1.61 3.52 -0.83 0.60 118.95 122.15 2jxa s ARG 65 Ca 0.00 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 2jxa s ARG 65 Cb 0.00 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.62 2jxa s ARG 65 CO 0.00 -0.29 0.57 0.25 -0.81 0.00 0.00 175.30 175.02 2jxa n THR 66 N 5.39 0.33 -3.89 4.11 -2.24 -1.26 0.05 114.28 116.77 2jxa n THR 66 Ca -0.08 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 2jxa n THR 66 Cb 0.49 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.33 0.08 0.00 3.42 -1.08 -1.26 -4.75 116.67 112.75 2jxa s ASP 67 Ca 0.00 -0.32 0.09 0.00 -0.52 0.00 0.00 52.55 51.80 2jxa s ASP 67 Cb 0.00 0.21 0.13 0.00 -1.46 0.00 0.00 42.92 41.80 2jxa s ASP 67 CO 0.00 -0.42 0.93 -0.90 0.52 0.00 0.00 175.17 175.30 2jxa n ASP 68 N 1.21 2.08 -1.11 -0.34 5.68 -1.26 -4.48 116.55 118.33 2jxa n ASP 68 Ca -0.22 -1.59 0.10 0.00 -0.50 0.00 0.00 54.79 52.59 2jxa n ASP 68 Cb 0.56 -0.06 0.25 0.00 -1.14 0.00 0.00 41.12 40.73 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jxa n LYS 69 N 0.43 2.63 -4.71 0.11 5.02 -1.26 -4.90 118.16 115.47 2jxa n LYS 69 Ca 0.07 -2.39 -0.33 0.00 -2.02 0.00 0.00 58.31 53.64 2jxa n LYS 69 Cb 0.28 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.10 3.37 -0.69 -0.18 -1.09 -1.26 -4.73 121.20 115.52 2jxa s ILE 70 Ca 0.40 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2jxa s ILE 70 Cb 0.21 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.71 2jxa s ILE 70 CO 0.28 0.56 0.66 0.00 -1.23 0.00 0.00 174.94 175.22 2jxa n ASP 72 N -1.60 1.69 -1.27 0.00 5.68 -1.26 -4.90 116.55 114.89 2jxa n ASP 72 Ca -0.04 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 2jxa n ASP 72 Cb 0.54 -1.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.29 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 10.99 0.00 -1.77 2.12 0.00 -1.26 -5.10 120.51 125.49 2jxa n ALA 73 Ca 0.47 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 2jxa n ALA 73 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.36 6.27 0.43 0.00 1.47 -1.26 -4.82 116.67 118.41 2jxa s ASP 74 Ca 0.00 2.83 0.16 0.00 1.18 0.00 0.00 52.55 56.72 2jxa s ASP 74 Cb 0.00 -2.65 1.06 0.00 -0.34 0.00 0.00 42.92 40.99 2jxa s ASP 74 CO 0.00 -0.90 1.94 1.55 0.68 0.00 0.00 175.17 178.45 2jxa h PRO 75 N 2.77 0.38 -0.77 2.11 0.13 -1.99 -0.74 132.00 133.90 2jxa h PRO 75 Ca -0.50 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.25 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2jxa h PRO 75 CO 0.63 0.25 0.28 0.74 -0.23 0.00 0.00 178.00 179.67 2jxa h PHE 76 N 0.39 1.19 -0.01 1.56 -1.00 -1.96 0.52 116.94 117.63 2jxa h PHE 76 Ca 0.33 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2jxa h PHE 76 Cb 0.76 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2jxa h PHE 76 CO -0.00 0.92 -0.35 1.04 -1.61 0.00 0.00 178.31 178.31 2jxa n GLN 77 N -4.28 0.56 0.00 1.51 6.02 -0.73 -3.65 117.38 116.80 2jxa n GLN 77 Ca 0.07 -0.33 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 2jxa n GLN 77 Cb 0.20 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.93 1.80 -0.07 -1.09 2.81 -0.36 0.14 117.12 119.43 2jxa n MET 78 Ca 0.10 -0.69 -0.12 0.00 -1.81 0.00 0.00 57.70 55.18 2jxa n MET 78 Cb 0.34 -1.23 -0.05 0.00 -0.71 0.00 0.00 33.22 31.57 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 1.50 0.36 -6.20 0.03 4.39 -0.04 -3.40 114.58 111.22 2jxa h GLU 79 Ca 0.00 -0.13 -0.56 0.00 0.34 0.00 0.00 59.36 59.01 2jxa h GLU 79 Cb 0.49 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2jxa h GLU 79 CO 0.00 0.60 0.72 1.21 -1.16 0.00 0.00 179.01 180.37 2jxa s ASN 80 N -5.92 7.11 -0.34 1.42 2.47 -1.26 -4.91 114.94 113.51 2jxa s ASN 80 Ca -0.14 1.58 0.07 0.00 0.42 0.00 0.00 52.86 54.79 2jxa s ASN 80 Cb 0.06 -2.55 0.50 0.00 -1.45 0.00 0.00 41.25 37.82 2jxa s ASN 80 CO 0.74 -0.59 1.50 1.33 -3.72 0.00 0.00 177.10 176.36 2jxa n VAL 81 N 4.91 2.69 -3.43 -5.21 0.24 -1.26 -4.68 118.33 111.59 2jxa n VAL 81 Ca 0.11 -2.99 -0.28 0.00 -2.04 0.00 0.00 64.34 59.14 2jxa n VAL 81 Cb 0.47 -0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 32.19 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 0.70 -0.18 7.34 -1.52 -0.76 -4.12 119.66 117.75 2jxa s GLN 82 Ca 0.48 -1.67 -0.07 0.00 -1.95 0.00 0.00 55.36 52.15 2jxa s GLN 82 Cb 0.42 -1.34 0.08 0.00 -0.22 0.00 0.00 33.01 31.96 2jxa s GLN 82 CO 0.01 -1.29 0.39 0.00 -0.25 0.00 0.00 175.29 174.15 2jxa s TYR 84 N 2.44 1.20 -0.39 0.00 1.51 -1.26 -1.97 117.35 118.87 2jxa s TYR 84 Ca -0.02 -0.66 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 2jxa s TYR 84 Cb -0.12 -0.63 0.16 0.00 -0.11 0.00 0.00 41.96 41.26 2jxa s TYR 84 CO -0.12 0.06 0.40 -1.17 -1.11 0.00 0.00 175.55 173.61 2jxa s LEU 85 N -2.67 0.04 0.24 -1.29 2.96 -1.21 -4.89 118.68 111.87 2jxa s LEU 85 Ca 0.10 -1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 52.11 2jxa s LEU 85 Cb -0.02 0.53 0.45 0.00 0.50 0.00 0.00 46.19 47.66 2jxa s LEU 85 CO 0.01 -0.22 1.66 -0.65 -1.32 0.00 0.00 176.35 175.83 2jxa h PRO 86 N 6.63 0.18 -0.19 0.98 0.11 -1.91 -0.03 132.00 137.77 2jxa h PRO 86 Ca 0.09 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.24 2jxa h PRO 86 Cb 1.04 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jxa h PRO 86 CO 0.20 0.12 0.28 -0.44 -0.21 0.00 0.00 178.00 177.96 2jxa h ASP 87 N 0.19 0.00 -0.62 -2.05 3.32 -1.96 -0.73 116.42 114.58 2jxa h ASP 87 Ca 0.41 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.58 2jxa h ASP 87 Cb 0.72 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 2jxa h ASP 87 CO -0.57 0.00 0.42 0.00 -1.72 0.00 0.00 179.24 177.36 2jxa h ALA 88 N 1.61 2.13 -0.63 3.45 0.00 -1.29 -0.85 119.26 123.68 2jxa h ALA 88 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2jxa h ALA 88 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jxa h ALA 88 CO -0.00 -0.28 0.10 0.35 0.00 0.00 0.00 179.25 179.42 2jxa h PHE 89 N 0.33 1.11 -0.66 0.00 3.57 -1.16 -2.63 116.94 117.49 2jxa h PHE 89 Ca 0.29 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2jxa h PHE 89 Cb 0.70 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2jxa h PHE 89 CO -0.00 0.94 0.14 1.57 -2.23 0.00 0.00 178.31 178.73 2jxa h LYS 90 N 0.96 1.07 0.05 1.11 2.10 -1.30 -0.71 116.57 119.84 2jxa h LYS 90 Ca 0.19 -0.27 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2jxa h LYS 90 Cb 0.43 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2jxa h LYS 90 CO 0.01 0.97 -0.03 0.82 -2.00 0.00 0.00 179.45 179.23 2jxa h ILE 91 N 0.99 0.95 -0.22 0.07 2.04 -1.31 -1.86 117.51 118.17 2jxa h ILE 91 Ca 0.20 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.97 2jxa h ILE 91 Cb 0.40 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2jxa h ILE 91 CO 0.01 0.00 -0.26 0.24 0.00 0.00 0.00 178.15 178.14 2jxa h MET 92 N -0.07 0.42 -0.49 2.37 2.86 -1.41 -2.52 114.93 116.09 2jxa h MET 92 Ca -0.01 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2jxa h MET 92 Cb 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2jxa h MET 92 CO 0.01 0.65 0.33 0.77 1.06 0.00 0.00 176.91 179.72 2jxa h SER 93 N 0.37 0.57 -0.29 1.22 0.02 -0.79 0.76 113.55 115.41 2jxa h SER 93 Ca 0.06 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2jxa h SER 93 Cb 0.65 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2jxa h SER 93 CO 0.05 0.41 -0.15 1.56 -1.14 0.00 0.00 176.83 177.57 2jxa h GLN 94 N 0.67 0.72 -0.06 3.45 4.20 -1.19 0.17 115.11 123.08 2jxa h GLN 94 Ca 0.18 -0.25 -0.20 0.00 0.06 0.00 0.00 58.65 58.45 2jxa h GLN 94 Cb -0.08 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2jxa h GLN 94 CO -0.04 0.83 -0.78 0.00 -0.67 0.00 0.00 178.83 178.17 2jxa h ARG 95 N 0.65 0.42 0.00 1.46 3.08 -0.99 -3.37 114.38 115.64 2jxa h ARG 95 Ca 0.11 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2jxa h ARG 95 Cb 0.62 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2jxa h ARG 95 CO 0.04 1.02 -0.64 0.00 -1.07 0.00 0.00 179.97 179.32 2jxa s ASN 97 N -2.04 6.35 -0.54 0.00 0.01 0.60 -1.87 114.94 117.44 2jxa s ASN 97 Ca 0.01 2.95 0.00 0.00 -0.71 0.00 0.00 52.86 55.12 2jxa s ASN 97 Cb 0.05 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2jxa s ASN 97 CO 0.31 -0.95 0.00 0.59 -1.51 0.00 0.00 177.10 175.54 2jxa n ASN 98 N 2.65 -4.79 -4.52 -1.22 4.13 -0.43 -4.97 115.26 106.12 2jxa n ASN 98 Ca 0.10 0.13 -0.31 0.00 1.68 0.00 0.00 54.58 56.18 2jxa n ASN 98 Cb 0.37 -2.74 -0.12 0.00 -1.54 0.00 0.00 39.78 35.75 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 -1.98 2.27 0.31 3.52 0.52 -0.78 -4.80 118.95 118.00 2jxa s ARG 99 Ca 0.00 -0.88 0.09 0.00 -0.52 0.00 0.00 55.73 54.42 2jxa s ARG 99 Cb 0.00 -2.32 0.52 0.00 0.52 0.00 0.00 34.95 33.67 2jxa s ARG 99 CO 0.00 0.56 1.72 1.15 0.02 0.00 0.00 175.30 178.75 2jxa h THR 100 N 3.81 1.32 -3.34 0.02 2.02 -1.86 0.79 112.91 115.67 2jxa h THR 100 Ca -0.48 -1.56 -0.09 0.00 0.77 0.00 0.00 66.41 65.05 2jxa h THR 100 Cb 1.16 1.77 -0.17 0.00 -1.74 0.00 0.00 68.15 69.18 2jxa h THR 100 CO 0.50 0.45 -0.25 0.00 0.37 0.00 0.00 175.52 176.60 2jxa s GLN 101 N -4.06 0.82 -0.20 6.66 -2.07 -1.26 0.90 119.66 120.46 2jxa s GLN 101 Ca -0.03 -0.54 -0.12 0.00 -1.82 0.00 0.00 55.36 52.85 2jxa s GLN 101 Cb 0.14 0.35 0.06 0.00 -1.09 0.00 0.00 33.01 32.47 2jxa s GLN 101 CO 0.76 -0.27 0.49 0.00 -1.32 0.00 0.00 175.29 174.95 2jxa s VAL 103 N 1.37 3.03 0.00 0.00 1.01 -1.26 -0.93 120.40 123.62 2jxa s VAL 103 Ca -0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2jxa s VAL 103 Cb -0.07 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2jxa s VAL 103 CO -0.14 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 174.93 2jxa s VAL 104 N 0.09 0.09 -0.30 2.92 1.01 -0.26 -4.93 120.40 119.01 2jxa s VAL 104 Ca -0.06 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2jxa s VAL 104 Cb -0.15 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.84 2jxa s VAL 104 CO 0.05 -0.39 0.91 -0.69 0.00 0.00 0.00 175.10 174.98 2jxa s VAL 105 N -1.36 4.69 0.00 2.92 1.01 -1.26 0.13 120.40 126.53 2jxa s VAL 105 Ca -0.15 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2jxa s VAL 105 Cb -0.08 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2jxa s VAL 105 CO 0.01 -0.30 0.88 0.00 0.00 0.00 0.00 175.10 175.69 2jxa n ALA 106 N 6.41 2.57 -2.00 5.51 0.00 0.34 -4.64 120.51 128.70 2jxa n ALA 106 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2jxa n ALA 106 Cb 0.47 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.50 0.34 4.09 0.00 0.00 -1.26 -1.86 105.19 108.00 2jxa n GLY 107 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.72 113.62 116.13 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 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 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 -2.34 0.00 0.11 -3.46 8.00 -1.26 -1.68 116.55 115.91 2jxa n ASP 109 Ca 0.00 0.44 0.13 0.00 0.71 0.00 0.00 54.79 56.06 2jxa n ASP 109 Cb 0.00 -0.45 0.45 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.45 2.04 -3.73 2.24 0.00 0.10 -4.68 120.51 115.02 2jxa n ALA 110 Ca 0.01 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 2jxa n ALA 110 Cb 0.06 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 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 -3.17 -0.05 0.00 0.00 0.40 0.09 -4.87 117.98 110.37 2jxa s PHE 111 Ca 0.08 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2jxa s PHE 111 Cb 0.11 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.40 2jxa s PHE 111 CO 0.51 -0.16 0.00 -2.30 0.70 0.00 0.00 175.22 173.97 2jxa n PRO 112 N 4.60 2.54 -3.50 0.24 -0.02 -1.26 -4.65 135.00 132.96 2jxa n PRO 112 Ca -0.19 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 -0.12 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 2.77 0.30 2.55 2.15 -1.26 -4.98 116.67 115.70 2jxa s ASP 113 Ca 0.00 -2.51 0.22 0.00 0.43 0.00 0.00 52.55 50.69 2jxa s ASP 113 Cb 0.00 -0.54 0.14 0.00 -0.30 0.00 0.00 42.92 42.22 2jxa s ASP 113 CO 0.00 -0.26 1.31 1.55 -0.17 0.00 0.00 175.17 177.60 2jxa h PRO 114 N 6.61 0.00 -0.93 4.34 0.13 -1.90 -3.41 132.00 136.84 2jxa h PRO 114 Ca 0.10 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.91 2jxa h PRO 114 Cb 0.94 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.85 2jxa h PRO 114 CO 0.34 0.07 -0.68 0.00 -0.23 0.00 0.00 178.00 177.50 2jxa s PRO 116 N 0.27 4.20 0.00 0.00 0.04 -1.26 -2.90 135.00 135.35 2jxa s PRO 116 Ca 0.32 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2jxa s PRO 116 Cb 0.14 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2jxa s PRO 116 CO -0.17 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2jxa n GLY 117 N 2.07 0.88 3.62 0.56 0.00 -1.26 -5.08 105.19 105.98 2jxa n GLY 117 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.16 3.63 -0.76 2.61 2.01 -1.14 -4.33 115.64 115.49 2jxa s THR 118 Ca 0.00 -1.15 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 2jxa s THR 118 Cb 0.00 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.85 2jxa s THR 118 CO 0.00 0.12 1.22 -0.47 -0.69 0.00 0.00 174.62 174.80 2jxa s TYR 119 N -1.25 2.43 0.00 4.92 6.14 0.38 -4.98 117.35 125.00 2jxa s TYR 119 Ca 0.23 -0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.64 2jxa s TYR 119 Cb -0.11 -4.55 0.00 0.00 0.42 0.00 0.00 41.96 37.72 2jxa s TYR 119 CO 0.15 -1.94 0.00 1.63 0.64 0.00 0.00 175.55 176.03 2jxa n LYS 120 N 8.84 0.86 -3.67 4.97 5.02 -1.26 -4.77 118.16 128.15 2jxa n LYS 120 Ca 0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 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 -0.07 -0.02 -0.09 2.13 -0.85 0.20 -3.63 117.35 115.01 2jxa s TYR 121 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 2jxa s TYR 121 Cb 0.00 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.90 2jxa s TYR 121 CO 0.00 -0.23 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.55 2jxa s LEU 122 N -3.13 1.30 -0.15 -3.49 2.96 -0.96 -1.62 118.68 113.58 2jxa s LEU 122 Ca 0.17 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2jxa s LEU 122 Cb 0.04 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.96 2jxa s LEU 122 CO -0.04 -0.07 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.04 2jxa s GLU 123 N 1.34 3.13 -0.08 1.98 2.12 -0.94 -2.24 118.70 124.01 2jxa s GLU 123 Ca -0.02 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2jxa s GLU 123 Cb -0.14 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.73 2jxa s GLU 123 CO -0.04 -0.00 -0.07 0.08 -0.54 0.00 0.00 175.26 174.68 2jxa s VAL 124 N 0.83 0.88 -0.14 3.70 1.01 -0.73 -1.87 120.40 124.09 2jxa s VAL 124 Ca -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2jxa s VAL 124 Cb -0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2jxa s VAL 124 CO -0.01 0.32 -0.05 -1.10 0.00 0.00 0.00 175.10 174.26 2jxa s GLN 125 N 1.29 3.53 0.27 2.72 -0.21 0.10 -2.36 119.66 125.00 2jxa s GLN 125 Ca -0.04 -0.53 -0.11 0.00 0.02 0.00 0.00 55.36 54.70 2jxa s GLN 125 Cb -0.14 -2.85 -0.00 0.00 1.00 0.00 0.00 33.01 31.02 2jxa s GLN 125 CO -0.03 0.30 0.49 1.52 -2.12 0.00 0.00 175.29 175.46 2jxa s TYR 126 N 0.18 0.48 0.21 0.91 1.13 -0.83 -0.66 117.35 118.77 2jxa s TYR 126 Ca -0.02 -0.84 0.07 0.00 -1.41 0.00 0.00 57.07 54.87 2jxa s TYR 126 Cb -0.14 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.84 2jxa s TYR 126 CO 0.03 -1.05 -0.12 -0.51 -2.51 0.00 0.00 175.55 171.39 2jxa s ASP 127 N -3.06 2.50 -0.21 -0.18 1.01 -0.98 -1.98 116.67 113.77 2jxa s ASP 127 Ca 0.24 -1.05 -0.03 0.00 0.71 0.00 0.00 52.55 52.41 2jxa s ASP 127 Cb -0.01 -0.12 -0.01 0.00 1.01 0.00 0.00 42.92 43.79 2jxa s ASP 127 CO 0.11 -0.22 -0.06 0.00 0.21 0.00 0.00 175.17 175.21 2jxa s VAL 129 N 1.36 2.12 0.43 0.00 -7.23 -0.99 -4.83 120.40 111.26 2jxa s VAL 129 Ca 0.04 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 2jxa s VAL 129 Cb -0.14 -1.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 2jxa s VAL 129 CO -0.03 0.10 1.12 -2.65 -0.31 0.00 0.00 175.10 173.33 2jxa n PRO 130 N 1.08 1.57 0.06 4.82 -0.02 -1.26 0.86 135.00 142.11 2jxa n PRO 130 Ca -0.18 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2jxa n PRO 130 Cb 0.53 -2.19 0.43 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.42 0.51 -3.72 6.00 9.36 -0.63 -4.68 117.16 123.59 2jxa n TYR 131 Ca 0.08 0.15 -0.37 0.00 3.32 0.00 0.00 57.90 61.09 2jxa n TYR 131 Cb 0.40 -0.71 -0.07 0.00 -0.63 0.00 0.00 39.34 38.33 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 -3.07 3.84 -0.20 2.98 2.20 -1.26 -5.08 119.74 119.16 2jxa s LYS 132 Ca 0.11 -0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2jxa s LYS 132 Cb 0.15 -3.29 0.09 0.00 -1.51 0.00 0.00 37.83 33.27 2jxa s LYS 132 CO 0.60 0.55 0.42 0.54 -0.36 0.00 0.00 175.35 177.10 2jxa s VAL 133 N -0.43 -0.61 0.00 4.02 0.11 -1.26 -5.19 120.40 117.04 2jxa s VAL 133 Ca 0.15 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2jxa s VAL 133 Cb -0.13 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2jxa s VAL 133 CO 0.04 0.07 0.00 1.21 -3.33 0.00 0.00 175.10 173.09