#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 3.65 -4.51 0.99 4.77 -1.26 -5.10 117.00 115.54 2jxa n LEU 30 Ca 0.00 -5.37 -0.43 0.00 -0.03 0.00 0.00 56.01 50.18 2jxa n LEU 30 Cb 0.00 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2jxa n LEU 30 CO 0.00 2.28 0.29 -0.81 -1.33 0.00 0.00 177.39 177.82 2jxa n PRO 31 N -0.17 0.85 0.00 3.23 -0.04 -1.26 -4.87 135.00 132.74 2jxa n PRO 31 Ca 0.30 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 64.21 2jxa n PRO 31 Cb 0.51 -1.63 0.67 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.40 0.00 -1.42 0.54 7.35 -1.26 -4.90 117.46 117.36 2jxa n PHE 32 Ca 0.11 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 2jxa n PHE 32 Cb 0.36 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.88 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 1.32 1.07 2.97 7.13 0.00 -1.26 -4.97 105.19 111.45 2jxa n GLY 33 Ca 0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.55 -0.96 0.25 0.99 1.98 -1.26 -5.11 118.68 112.02 2jxa s LEU 34 Ca 0.00 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 50.84 2jxa s LEU 34 Cb 0.00 1.32 0.00 0.00 0.66 0.00 0.00 46.19 48.17 2jxa s LEU 34 CO 0.00 -0.32 0.00 0.23 -1.89 0.00 0.00 176.35 174.37 2jxa n MET 35 N 5.20 -2.70 -3.52 1.98 2.81 -1.26 -4.91 117.12 114.72 2jxa n MET 35 Ca 0.03 1.98 -0.35 0.00 -1.81 0.00 0.00 57.70 57.55 2jxa n MET 35 Cb 0.51 -2.44 -0.06 0.00 -0.71 0.00 0.00 33.22 30.52 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 -2.34 3.83 -0.14 0.03 0.52 -0.50 -4.91 118.95 115.44 2jxa s ARG 36 Ca 0.00 0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.38 2jxa s ARG 36 Cb 0.00 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.49 2jxa s ARG 36 CO 0.00 0.56 0.36 0.50 0.02 0.00 0.00 175.30 176.74 2jxa s ARG 37 N -1.80 0.40 0.03 3.54 3.52 -1.26 -1.42 118.95 121.96 2jxa s ARG 37 Ca 0.33 0.55 0.03 0.00 -0.13 0.00 0.00 55.73 56.50 2jxa s ARG 37 Cb -0.15 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.37 2jxa s ARG 37 CO 0.18 -0.08 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.29 2jxa s GLU 38 N 0.47 0.60 -0.01 5.12 8.01 -0.92 -4.99 118.70 126.98 2jxa s GLU 38 Ca -0.02 -0.59 0.01 0.00 0.01 0.00 0.00 54.97 54.37 2jxa s GLU 38 Cb -0.04 -0.49 0.01 0.00 -4.31 0.00 0.00 34.13 29.30 2jxa s GLU 38 CO -0.02 0.11 -0.02 -1.17 0.01 0.00 0.00 175.26 174.17 2jxa s LEU 39 N -1.05 1.80 -0.01 1.80 0.20 -1.26 -1.26 118.68 118.91 2jxa s LEU 39 Ca -0.04 -0.04 -0.02 0.00 0.69 0.00 0.00 54.13 54.73 2jxa s LEU 39 Cb -0.07 -0.14 -0.00 0.00 -0.43 0.00 0.00 46.19 45.54 2jxa s LEU 39 CO 0.00 -0.00 0.04 0.00 -0.29 0.00 0.00 176.35 176.10 2jxa s ALA 40 N 0.20 -0.08 0.18 5.97 0.00 -0.85 -4.98 121.76 122.20 2jxa s ALA 40 Ca -0.02 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2jxa s ALA 40 Cb -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 2jxa s ALA 40 CO -0.01 -0.08 1.28 0.00 0.00 0.00 0.00 175.76 176.96 2jxa n GLU 42 N 2.77 0.30 -0.13 0.00 2.13 -1.25 -2.13 120.64 122.34 2jxa n GLU 42 Ca 0.06 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2jxa n GLU 42 Cb 0.43 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.80 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 0.86 3.45 8.31 0.00 -1.07 -4.94 105.19 113.60 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 -2.45 2.45 0.32 1.61 2.02 -0.90 -4.77 117.35 115.62 2jxa s TYR 44 Ca 0.00 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.10 2jxa s TYR 44 Cb 0.00 -1.31 -0.11 0.00 -0.40 0.00 0.00 41.96 40.14 2jxa s TYR 44 CO 0.00 0.37 1.47 -1.25 -1.57 0.00 0.00 175.55 174.56 2jxa s PRO 45 N -2.10 4.20 0.02 -1.71 0.04 -1.26 -0.47 135.00 133.71 2jxa s PRO 45 Ca 0.16 2.44 0.09 0.00 0.04 0.00 0.00 61.00 63.74 2jxa s PRO 45 Cb -0.10 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2jxa s PRO 45 CO 0.08 -0.47 -0.26 -1.50 0.04 0.00 0.00 177.00 174.90 2jxa s ILE 46 N -0.58 2.09 -0.06 0.56 2.07 0.18 -4.85 121.20 120.60 2jxa s ILE 46 Ca 0.56 -1.26 0.02 0.00 -1.41 0.00 0.00 60.65 58.56 2jxa s ILE 46 Cb -0.44 -1.77 0.02 0.00 0.13 0.00 0.00 42.46 40.40 2jxa s ILE 46 CO 0.53 0.46 -0.10 -0.70 -1.91 0.00 0.00 174.94 173.22 2jxa s GLU 47 N -0.95 1.50 0.02 3.50 2.12 -1.26 -1.33 118.70 122.30 2jxa s GLU 47 Ca 0.11 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.14 2jxa s GLU 47 Cb -0.10 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.96 2jxa s GLU 47 CO 0.01 -0.02 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.16 2jxa s LEU 48 N 0.79 3.30 -0.12 2.70 1.43 -0.77 -4.97 118.68 121.04 2jxa s LEU 48 Ca -0.13 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2jxa s LEU 48 Cb -0.15 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2jxa s LEU 48 CO 0.02 0.26 0.30 -0.13 0.23 0.00 0.00 176.35 177.02 2jxa s ARG 49 N -1.66 0.28 -0.01 1.70 0.52 -1.26 -2.23 118.95 116.29 2jxa s ARG 49 Ca 0.19 0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 55.91 2jxa s ARG 49 Cb -0.11 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 2jxa s ARG 49 CO 0.10 -0.13 0.24 0.00 0.02 0.00 0.00 175.30 175.53 2jxa s PRO 51 N -1.71 2.50 5.38 0.00 0.04 -1.26 -4.71 135.00 135.24 2jxa s PRO 51 Ca 0.26 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2jxa s PRO 51 Cb -0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2jxa s PRO 51 CO 0.15 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2jxa n GLY 52 N -1.31 3.65 0.62 0.56 0.00 -1.26 -2.04 105.19 105.42 2jxa n GLY 52 Ca 0.09 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.38 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 6.69 1.57 -4.84 1.61 3.41 -1.26 -5.07 113.62 115.72 2jxa n SER 53 Ca 0.00 -3.15 -0.29 0.00 -0.26 0.00 0.00 58.87 55.17 2jxa n SER 53 Cb 0.00 -0.43 0.11 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.69 4.00 0.02 4.04 1.01 -0.87 -3.99 116.67 118.19 2jxa s ASP 54 Ca 0.32 0.88 0.07 0.00 0.71 0.00 0.00 52.55 54.52 2jxa s ASP 54 Cb 0.31 -1.41 -0.02 0.00 1.01 0.00 0.00 42.92 42.81 2jxa s ASP 54 CO -0.06 -2.24 -0.20 0.68 0.21 0.00 0.00 175.17 173.56 2jxa s VAL 55 N -3.42 1.62 0.32 -1.27 -7.23 0.98 -4.31 120.40 107.08 2jxa s VAL 55 Ca 0.63 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 2jxa s VAL 55 Cb -0.13 -1.39 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 2jxa s VAL 55 CO 0.51 0.29 1.22 -0.63 -0.31 0.00 0.00 175.10 176.19 2jxa s ILE 56 N -0.68 3.01 -0.30 -0.62 1.01 0.27 -1.83 121.20 122.07 2jxa s ILE 56 Ca 0.07 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 2jxa s ILE 56 Cb -0.08 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.85 2jxa s ILE 56 CO 0.01 0.23 0.10 0.00 0.00 0.00 0.00 174.94 175.28 2jxa s MET 57 N -1.72 0.59 0.11 2.79 0.23 0.11 -0.59 119.30 120.82 2jxa s MET 57 Ca 0.48 -0.92 -0.31 0.00 -1.03 0.00 0.00 55.69 53.91 2jxa s MET 57 Cb -0.36 -1.81 -0.09 0.00 -1.53 0.00 0.00 34.83 31.04 2jxa s MET 57 CO 0.48 -0.98 1.61 0.08 -2.03 0.00 0.00 175.02 174.17 2jxa s VAL 58 N 1.73 2.91 -0.22 5.16 1.01 -1.26 -2.32 120.40 127.41 2jxa s VAL 58 Ca 0.09 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 2jxa s VAL 58 Cb -0.17 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 2jxa s VAL 58 CO -0.27 0.02 -0.28 -0.62 0.00 0.00 0.00 175.10 173.94 2jxa n GLU 59 N 4.92 0.47 -3.80 2.72 1.02 -0.23 -4.97 120.64 120.76 2jxa n GLU 59 Ca 0.15 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2jxa n GLU 59 Cb 0.40 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 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 -6.94 -0.18 -0.07 1.62 0.01 -1.07 -5.03 114.94 103.27 2jxa s ASN 60 Ca -0.31 0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.77 2jxa s ASN 60 Cb 0.12 0.39 0.11 0.00 0.41 0.00 0.00 41.25 42.28 2jxa s ASN 60 CO 0.39 -0.27 0.91 0.00 -1.51 0.00 0.00 177.10 176.62 2jxa s ALA 61 N -0.68 -1.86 0.07 0.60 0.00 -1.26 -0.48 121.76 118.16 2jxa s ALA 61 Ca -0.08 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 2jxa s ALA 61 Cb -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.01 2jxa s ALA 61 CO 0.02 -0.50 0.37 1.21 0.00 0.00 0.00 175.76 176.86 2jxa s ASN 62 N -1.77 -0.20 -0.14 0.00 2.47 -0.92 -3.44 114.94 110.95 2jxa s ASN 62 Ca 0.00 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.09 2jxa s ASN 62 Cb -0.01 0.42 0.02 0.00 -1.45 0.00 0.00 41.25 40.23 2jxa s ASN 62 CO -0.03 -0.72 -0.12 -0.47 -3.72 0.00 0.00 177.10 172.04 2jxa s TYR 63 N -3.01 2.03 0.00 0.43 5.04 -1.26 -2.16 117.35 118.43 2jxa s TYR 63 Ca -0.02 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.48 2jxa s TYR 63 Cb 0.00 -1.52 0.00 0.00 0.35 0.00 0.00 41.96 40.80 2jxa s TYR 63 CO -0.06 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 2jxa n GLY 64 N 4.81 -0.33 3.33 8.97 0.00 -0.69 -3.31 105.19 117.96 2jxa n GLY 64 Ca -0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.35 0.42 0.00 1.61 3.52 -0.75 0.34 118.95 122.74 2jxa s ARG 65 Ca 0.00 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 2jxa s ARG 65 Cb 0.00 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2jxa s ARG 65 CO 0.00 -0.31 0.69 0.25 -0.81 0.00 0.00 175.30 175.11 2jxa n THR 66 N 5.41 0.46 -3.85 4.11 -2.24 -1.26 0.73 114.28 117.65 2jxa n THR 66 Ca -0.08 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 2jxa n THR 66 Cb 0.49 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.46 0.03 0.00 3.42 -1.08 -1.26 -4.75 116.67 112.57 2jxa s ASP 67 Ca 0.00 -0.37 0.08 0.00 -0.52 0.00 0.00 52.55 51.74 2jxa s ASP 67 Cb 0.00 0.29 0.11 0.00 -1.46 0.00 0.00 42.92 41.86 2jxa s ASP 67 CO 0.00 -0.56 0.87 -0.90 0.52 0.00 0.00 175.17 175.11 2jxa n ASP 68 N 0.68 1.95 -0.93 -0.34 5.68 -1.26 -4.48 116.55 117.85 2jxa n ASP 68 Ca -0.19 -1.52 0.09 0.00 -0.50 0.00 0.00 54.79 52.68 2jxa n ASP 68 Cb 0.59 -0.04 0.18 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.41 2.30 -5.00 0.11 5.02 -1.26 -4.91 118.16 114.84 2jxa n LYS 69 Ca 0.06 -2.09 -0.32 0.00 -2.02 0.00 0.00 58.31 53.94 2jxa n LYS 69 Cb 0.25 -1.41 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.22 2.80 -0.72 -0.18 -1.09 -1.26 -4.75 121.20 114.78 2jxa s ILE 70 Ca 0.32 -0.82 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2jxa s ILE 70 Cb 0.18 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 2jxa s ILE 70 CO 0.25 0.59 0.66 0.00 -1.23 0.00 0.00 174.94 175.21 2jxa n ASP 72 N -1.80 2.91 -0.59 0.00 5.75 -1.26 -4.95 116.55 116.60 2jxa n ASP 72 Ca -0.08 1.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.77 2jxa n ASP 72 Cb 0.56 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 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 3.73 0.00 -1.77 2.12 0.00 -1.26 -5.12 120.51 118.21 2jxa n ALA 73 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 2jxa n ALA 73 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.08 6.03 0.39 0.00 -4.77 -1.26 -4.87 116.67 112.10 2jxa s ASP 74 Ca 0.00 2.87 0.10 0.00 -3.30 0.00 0.00 52.55 52.22 2jxa s ASP 74 Cb 0.00 -2.65 0.88 0.00 -1.09 0.00 0.00 42.92 40.06 2jxa s ASP 74 CO 0.00 -1.07 1.94 1.55 0.70 0.00 0.00 175.17 178.30 2jxa h PRO 75 N 2.48 0.57 -0.33 2.11 0.13 -2.00 -1.14 132.00 133.83 2jxa h PRO 75 Ca -0.51 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.26 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2jxa h PRO 75 CO 0.62 0.38 0.07 0.74 -0.23 0.00 0.00 178.00 179.58 2jxa h PHE 76 N 0.59 0.48 -0.23 1.56 0.04 -1.96 0.21 116.94 117.63 2jxa h PHE 76 Ca 0.33 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2jxa h PHE 76 Cb 0.50 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2jxa h PHE 76 CO -0.00 0.43 0.00 1.04 -0.60 0.00 0.00 178.31 179.18 2jxa n GLN 77 N -4.35 1.72 0.00 1.51 6.02 -0.45 -3.63 117.38 118.20 2jxa n GLN 77 Ca 0.02 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 2jxa n GLN 77 Cb 0.18 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 0.34 1.55 -0.12 -1.09 2.81 -0.17 -0.29 117.12 120.16 2jxa n MET 78 Ca 0.14 -0.22 -0.09 0.00 -1.81 0.00 0.00 57.70 55.73 2jxa n MET 78 Cb 0.30 -0.66 -0.01 0.00 -0.71 0.00 0.00 33.22 32.14 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 0.00 0.52 -6.23 0.03 4.39 -0.74 -3.41 114.58 109.15 2jxa h GLU 79 Ca 0.00 -0.06 -0.59 0.00 0.34 0.00 0.00 59.36 59.05 2jxa h GLU 79 Cb 0.09 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.55 2jxa h GLU 79 CO 0.00 0.42 0.68 1.21 -1.16 0.00 0.00 179.01 180.16 2jxa s ASN 80 N -5.66 6.68 -0.46 1.42 2.47 -1.26 -4.90 114.94 113.23 2jxa s ASN 80 Ca -0.13 0.55 0.04 0.00 0.42 0.00 0.00 52.86 53.74 2jxa s ASN 80 Cb 0.10 -2.49 0.57 0.00 -1.45 0.00 0.00 41.25 37.98 2jxa s ASN 80 CO 0.73 -0.95 1.80 1.33 -3.72 0.00 0.00 177.10 176.29 2jxa n VAL 81 N 6.17 3.13 -3.46 -5.21 0.24 -1.26 -4.74 118.33 113.19 2jxa n VAL 81 Ca 0.08 -2.50 -0.28 0.00 -2.04 0.00 0.00 64.34 59.60 2jxa n VAL 81 Cb 0.48 -0.64 -0.11 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 0.80 -0.15 7.34 -1.52 -0.92 -4.09 119.66 117.68 2jxa s GLN 82 Ca 0.56 -1.75 -0.06 0.00 -1.95 0.00 0.00 55.36 52.16 2jxa s GLN 82 Cb 0.47 -1.48 0.07 0.00 -0.22 0.00 0.00 33.01 31.85 2jxa s GLN 82 CO 0.05 -1.28 0.31 0.00 -0.25 0.00 0.00 175.29 174.12 2jxa s TYR 84 N 2.19 1.15 -0.40 0.00 1.51 -1.26 -1.80 117.35 118.75 2jxa s TYR 84 Ca -0.02 -0.59 0.03 0.00 -1.01 0.00 0.00 57.07 55.48 2jxa s TYR 84 Cb -0.11 -0.63 0.16 0.00 -0.11 0.00 0.00 41.96 41.27 2jxa s TYR 84 CO -0.10 0.04 0.38 -1.17 -1.11 0.00 0.00 175.55 173.60 2jxa s LEU 85 N -2.31 0.31 0.26 -1.29 2.96 -1.21 -4.95 118.68 112.46 2jxa s LEU 85 Ca 0.05 -2.08 -0.03 0.00 -0.22 0.00 0.00 54.13 51.85 2jxa s LEU 85 Cb -0.05 0.32 0.54 0.00 0.50 0.00 0.00 46.19 47.50 2jxa s LEU 85 CO 0.01 -0.22 1.65 -0.65 -1.32 0.00 0.00 176.35 175.83 2jxa h PRO 86 N 6.45 0.18 -0.66 0.98 0.11 -1.91 -0.20 132.00 136.95 2jxa h PRO 86 Ca 0.11 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.40 2jxa h PRO 86 Cb 1.01 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2jxa h PRO 86 CO 0.23 0.12 0.49 -0.44 -0.21 0.00 0.00 178.00 178.19 2jxa h ASP 87 N 0.19 0.00 -0.80 -2.05 3.32 -1.95 0.07 116.42 115.20 2jxa h ASP 87 Ca 0.46 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.73 2jxa h ASP 87 Cb 0.86 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 2jxa h ASP 87 CO -0.62 0.00 0.56 0.00 -1.72 0.00 0.00 179.24 177.46 2jxa h ALA 88 N 1.63 2.57 -0.11 3.45 0.00 -1.31 -0.87 119.26 124.62 2jxa h ALA 88 Ca 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2jxa h ALA 88 Cb 1.30 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jxa h ALA 88 CO -0.00 -0.80 -0.04 0.35 0.00 0.00 0.00 179.25 178.75 2jxa h PHE 89 N 0.12 0.24 -0.61 0.00 3.57 -0.99 -2.59 116.94 116.68 2jxa h PHE 89 Ca 0.39 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2jxa h PHE 89 Cb 1.36 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 2jxa h PHE 89 CO -0.00 0.54 0.18 1.57 -2.23 0.00 0.00 178.31 178.38 2jxa h LYS 90 N -0.13 0.95 -0.15 1.11 2.10 -1.31 -0.82 116.57 118.32 2jxa h LYS 90 Ca 0.03 -0.21 0.01 0.00 -2.00 0.00 0.00 60.65 58.47 2jxa h LYS 90 Cb 0.47 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2jxa h LYS 90 CO 0.01 0.85 0.08 0.82 -2.00 0.00 0.00 179.45 179.21 2jxa h ILE 91 N 0.87 1.01 -0.16 0.07 2.04 -1.35 -2.00 117.51 118.00 2jxa h ILE 91 Ca 0.19 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.85 2jxa h ILE 91 Cb 0.30 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jxa h ILE 91 CO -0.00 0.03 -0.52 0.24 0.00 0.00 0.00 178.15 177.89 2jxa h MET 92 N 0.18 0.44 -0.75 2.37 2.86 -1.39 -2.67 114.93 115.97 2jxa h MET 92 Ca 0.06 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2jxa h MET 92 Cb 0.00 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 2jxa h MET 92 CO -0.03 0.86 0.45 0.77 1.06 0.00 0.00 176.91 180.01 2jxa h SER 93 N 0.34 0.70 -0.46 1.22 0.02 -0.88 0.39 113.55 114.88 2jxa h SER 93 Ca 0.01 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2jxa h SER 93 Cb 1.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2jxa h SER 93 CO 0.09 0.46 -0.00 1.56 -1.14 0.00 0.00 176.83 177.80 2jxa h GLN 94 N 0.84 0.88 0.00 3.45 4.20 -1.24 0.74 115.11 123.97 2jxa h GLN 94 Ca 0.32 -0.25 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 2jxa h GLN 94 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2jxa h GLN 94 CO -0.16 0.87 -0.84 0.00 -0.67 0.00 0.00 178.83 178.04 2jxa h ARG 95 N 0.81 0.04 0.00 1.46 3.08 -0.87 -3.37 114.38 115.53 2jxa h ARG 95 Ca 0.15 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2jxa h ARG 95 Cb 0.49 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jxa h ARG 95 CO 0.02 0.85 -1.39 0.00 -1.07 0.00 0.00 179.97 178.38 2jxa n ASN 97 N -1.85 2.89 -0.46 0.00 3.02 0.26 -1.27 115.26 117.85 2jxa n ASN 97 Ca -0.03 1.15 -0.06 0.00 -0.03 0.00 0.00 54.58 55.61 2jxa n ASN 97 Cb 0.29 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.97 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jxa n ASN 98 N 1.94 -5.26 -4.48 6.41 3.02 0.24 -4.93 115.26 112.19 2jxa n ASN 98 Ca 0.10 0.15 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 2jxa n ASN 98 Cb 0.33 -3.28 -0.12 0.00 -0.61 0.00 0.00 39.78 36.10 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jxa s ARG 99 N -2.24 1.93 0.22 3.52 0.52 -0.40 -4.78 118.95 117.72 2jxa s ARG 99 Ca 0.00 -1.08 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 2jxa s ARG 99 Cb 0.00 -2.16 0.21 0.00 0.52 0.00 0.00 34.95 33.52 2jxa s ARG 99 CO 0.00 0.51 1.54 1.15 0.02 0.00 0.00 175.30 178.52 2jxa h THR 100 N 3.70 1.36 -3.25 0.02 2.02 -1.84 0.79 112.91 115.71 2jxa h THR 100 Ca -0.49 -1.91 -0.05 0.00 0.77 0.00 0.00 66.41 64.74 2jxa h THR 100 Cb 1.16 1.92 -0.13 0.00 -1.74 0.00 0.00 68.15 69.36 2jxa h THR 100 CO 0.47 0.57 -0.01 0.00 0.37 0.00 0.00 175.52 176.92 2jxa s GLN 101 N -3.84 1.09 -0.21 6.66 -2.07 -1.26 0.01 119.66 120.04 2jxa s GLN 101 Ca -0.05 -0.60 -0.19 0.00 -1.82 0.00 0.00 55.36 52.70 2jxa s GLN 101 Cb 0.12 0.49 0.06 0.00 -1.09 0.00 0.00 33.01 32.58 2jxa s GLN 101 CO 0.81 -0.43 0.56 0.00 -1.32 0.00 0.00 175.29 174.90 2jxa s VAL 103 N 0.43 2.04 -0.02 0.00 1.01 -1.26 -1.84 120.40 120.77 2jxa s VAL 103 Ca -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 2jxa s VAL 103 Cb -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2jxa s VAL 103 CO -0.01 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.06 2jxa s VAL 104 N 0.70 0.05 -0.22 2.92 1.01 -0.44 -4.93 120.40 119.49 2jxa s VAL 104 Ca -0.10 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2jxa s VAL 104 Cb -0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2jxa s VAL 104 CO 0.01 -0.25 1.30 -0.69 0.00 0.00 0.00 175.10 175.47 2jxa s VAL 105 N -0.82 4.18 0.00 2.92 1.01 -1.26 0.48 120.40 126.91 2jxa s VAL 105 Ca -0.09 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 2jxa s VAL 105 Cb -0.05 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2jxa s VAL 105 CO 0.01 -0.28 0.90 0.00 0.00 0.00 0.00 175.10 175.72 2jxa n ALA 106 N 7.14 2.45 0.00 5.51 0.00 0.38 -4.61 120.51 131.37 2jxa n ALA 106 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jxa n ALA 106 Cb 0.46 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 2.11 -0.45 5.54 0.00 0.00 -1.26 -2.60 105.19 108.54 2jxa n GLY 107 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.88 113.62 115.97 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 -3.16 0.00 0.17 -3.46 8.00 -1.26 -1.82 116.55 115.01 2jxa n ASP 109 Ca 0.00 0.47 0.13 0.00 0.71 0.00 0.00 54.79 56.11 2jxa n ASP 109 Cb 0.00 -0.48 0.39 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 h ALA 110 N 2.18 1.00 -3.53 2.24 0.00 -1.29 -3.43 119.26 116.43 2jxa h ALA 110 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2jxa h ALA 110 Cb 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.54 2jxa h ALA 110 CO 0.00 0.00 -0.73 -0.06 0.00 0.00 0.00 179.25 178.46 2jxa s PHE 111 N -3.26 0.07 0.00 0.00 0.08 -0.59 -4.92 117.98 109.36 2jxa s PHE 111 Ca 0.07 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.23 2jxa s PHE 111 Cb 0.09 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.29 2jxa s PHE 111 CO 0.58 -0.09 0.00 -2.30 -0.10 0.00 0.00 175.22 173.31 2jxa n PRO 112 N 4.12 2.49 -3.56 0.24 -0.02 -1.26 -4.62 135.00 132.40 2jxa n PRO 112 Ca -0.27 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.92 2jxa n PRO 112 Cb 0.51 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 -2.40 3.36 -0.17 2.55 2.15 -1.26 -4.96 116.67 115.94 2jxa s ASP 113 Ca 0.00 -1.97 -0.23 0.00 0.43 0.00 0.00 52.55 50.78 2jxa s ASP 113 Cb 0.00 -0.55 -0.21 0.00 -0.30 0.00 0.00 42.92 41.86 2jxa s ASP 113 CO 0.00 -0.35 0.46 1.55 -0.17 0.00 0.00 175.17 176.66 2jxa h PRO 114 N 7.45 0.00 -2.63 4.34 0.13 -1.92 -3.43 132.00 135.93 2jxa h PRO 114 Ca -0.04 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.49 2jxa h PRO 114 Cb 0.98 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.71 2jxa h PRO 114 CO 0.37 0.89 -0.81 0.00 -0.23 0.00 0.00 178.00 178.22 2jxa s PRO 116 N -0.64 4.20 0.00 0.00 0.04 -1.26 -3.35 135.00 133.98 2jxa s PRO 116 Ca 0.30 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2jxa s PRO 116 Cb 0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2jxa s PRO 116 CO -0.18 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2jxa n GLY 117 N 0.96 0.47 3.37 0.56 0.00 -1.26 -5.09 105.19 104.20 2jxa n GLY 117 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 2.18 -0.77 2.61 2.01 -1.21 -4.38 115.64 114.08 2jxa s THR 118 Ca 0.00 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.11 2jxa s THR 118 Cb 0.00 -1.92 0.08 0.00 0.01 0.00 0.00 72.50 70.66 2jxa s THR 118 CO 0.00 0.13 1.10 -0.47 -0.69 0.00 0.00 174.62 174.69 2jxa s TYR 119 N -1.02 2.70 0.00 4.92 5.04 0.60 -4.98 117.35 124.61 2jxa s TYR 119 Ca 0.13 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 2jxa s TYR 119 Cb -0.10 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 37.82 2jxa s TYR 119 CO 0.05 -1.71 0.00 1.63 -1.34 0.00 0.00 175.55 174.18 2jxa n LYS 120 N 7.83 1.52 -3.61 4.97 5.02 -1.26 -4.85 118.16 127.79 2jxa n LYS 120 Ca 0.07 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.38 2jxa n LYS 120 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.48 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N 0.00 -0.04 -0.10 2.13 -0.85 0.15 -3.81 117.35 114.83 2jxa s TYR 121 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 2jxa s TYR 121 Cb 0.00 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.90 2jxa s TYR 121 CO 0.00 -0.21 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.56 2jxa s LEU 122 N -2.87 1.29 -0.10 -3.49 2.96 -0.75 -1.71 118.68 114.01 2jxa s LEU 122 Ca 0.14 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2jxa s LEU 122 Cb 0.05 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2jxa s LEU 122 CO -0.04 -0.08 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.00 2jxa s GLU 123 N 1.43 3.07 -0.10 1.98 2.12 -0.92 -2.01 118.70 124.27 2jxa s GLU 123 Ca -0.00 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.51 2jxa s GLU 123 Cb -0.13 -2.39 0.03 0.00 0.26 0.00 0.00 34.13 31.89 2jxa s GLU 123 CO -0.05 0.24 -0.03 0.08 -0.54 0.00 0.00 175.26 174.96 2jxa s VAL 124 N 0.22 0.66 -0.22 3.70 1.01 -0.39 -2.15 120.40 123.23 2jxa s VAL 124 Ca -0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2jxa s VAL 124 Cb -0.16 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2jxa s VAL 124 CO 0.07 0.28 0.07 -1.10 0.00 0.00 0.00 175.10 174.41 2jxa s GLN 125 N 1.85 3.80 0.22 2.72 1.11 0.37 -2.16 119.66 127.57 2jxa s GLN 125 Ca 0.05 -0.42 -0.16 0.00 0.01 0.00 0.00 55.36 54.84 2jxa s GLN 125 Cb -0.13 -3.27 0.01 0.00 -1.01 0.00 0.00 33.01 28.61 2jxa s GLN 125 CO -0.07 0.02 0.51 1.52 0.01 0.00 0.00 175.29 177.28 2jxa s TYR 126 N 1.06 0.07 0.27 0.91 1.13 -0.50 -1.07 117.35 119.21 2jxa s TYR 126 Ca 0.04 -0.43 0.09 0.00 -1.41 0.00 0.00 57.07 55.36 2jxa s TYR 126 Cb -0.14 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 40.99 2jxa s TYR 126 CO 0.03 -0.96 -0.13 -0.51 -2.51 0.00 0.00 175.55 171.47 2jxa s ASP 127 N -2.93 3.11 -0.23 -0.18 1.01 -0.98 -1.41 116.67 115.06 2jxa s ASP 127 Ca 0.14 -1.09 -0.05 0.00 0.71 0.00 0.00 52.55 52.26 2jxa s ASP 127 Cb -0.01 -0.23 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 2jxa s ASP 127 CO 0.02 -0.16 -0.01 0.00 0.21 0.00 0.00 175.17 175.24 2jxa s VAL 129 N 1.51 2.75 0.45 0.00 -7.23 -0.76 -4.81 120.40 112.31 2jxa s VAL 129 Ca 0.06 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 2jxa s VAL 129 Cb -0.15 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 2jxa s VAL 129 CO -0.01 -0.22 1.30 -2.84 -0.31 0.00 0.00 175.10 173.02 2jxa s PRO 130 N -3.06 3.73 0.53 4.82 0.02 -1.26 -0.02 135.00 139.76 2jxa s PRO 130 Ca 0.26 2.13 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 2jxa s PRO 130 Cb -0.07 -2.58 0.12 0.00 0.02 0.00 0.00 34.50 31.99 2jxa s PRO 130 CO 0.14 -0.68 0.68 0.98 -0.33 0.00 0.00 177.00 177.79 2jxa n TYR 131 N -0.26 -3.93 -3.52 6.54 9.36 -1.26 -4.80 117.16 119.30 2jxa n TYR 131 Ca 0.06 -0.60 -0.35 0.00 3.32 0.00 0.00 57.90 60.32 2jxa n TYR 131 Cb 0.44 -0.55 -0.06 0.00 -0.63 0.00 0.00 39.34 38.55 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 -4.50 3.83 -0.07 2.98 1.02 -1.26 -5.09 119.74 116.66 2jxa s LYS 132 Ca 0.39 0.28 -0.06 0.00 0.02 0.00 0.00 55.97 56.61 2jxa s LYS 132 Cb -0.01 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2jxa s LYS 132 CO 0.28 0.56 0.17 0.54 -0.92 0.00 0.00 175.35 175.98 2jxa s VAL 133 N -1.36 -0.00 0.00 3.17 0.11 -1.26 -5.25 120.40 115.80 2jxa s VAL 133 Ca 0.33 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 2jxa s VAL 133 Cb -0.15 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 2jxa s VAL 133 CO 0.18 0.01 0.00 -0.62 -3.33 0.00 0.00 175.10 171.33