#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa s LEU 30 N 0.00 3.64 1.23 0.99 1.43 -1.26 -5.02 118.68 119.69 2jxa s LEU 30 Ca 0.00 2.27 -0.16 0.00 -1.03 0.00 0.00 54.13 55.21 2jxa s LEU 30 Cb 0.00 -4.59 0.30 0.00 0.03 0.00 0.00 46.19 41.93 2jxa s LEU 30 CO 0.00 -1.52 1.01 -2.16 0.23 0.00 0.00 176.35 173.91 2jxa s PRO 31 N -3.44 -1.42 0.00 1.29 0.04 -1.26 -4.84 135.00 125.37 2jxa s PRO 31 Ca 0.75 0.48 0.07 0.00 0.04 0.00 0.00 61.00 62.34 2jxa s PRO 31 Cb -0.27 -1.52 0.42 0.00 0.04 0.00 0.00 34.50 33.17 2jxa s PRO 31 CO 0.33 -3.97 0.98 0.34 0.04 0.00 0.00 177.00 174.72 2jxa n PHE 32 N -5.04 0.00 -0.47 0.56 7.35 -1.26 -4.80 117.46 113.80 2jxa n PHE 32 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2jxa n PHE 32 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 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 0.20 0.14 3.11 7.13 0.00 -1.26 -4.81 105.19 109.70 2jxa n GLY 33 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.44 0.22 0.99 0.20 -1.26 -5.14 118.68 112.24 2jxa s LEU 34 Ca 0.00 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.72 2jxa s LEU 34 Cb 0.00 1.83 0.00 0.00 -0.43 0.00 0.00 46.19 47.59 2jxa s LEU 34 CO 0.00 -0.29 0.00 0.80 -0.29 0.00 0.00 176.35 176.57 2jxa n MET 35 N 5.23 -1.26 -3.36 1.98 0.00 -1.26 -4.77 117.12 113.68 2jxa n MET 35 Ca 0.05 0.99 -0.38 0.00 0.00 0.00 0.00 57.70 58.36 2jxa n MET 35 Cb 0.53 -1.80 -0.06 0.00 0.00 0.00 0.00 33.22 31.89 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2jxa s ARG 36 N -3.86 4.13 -0.14 2.12 1.81 -0.03 -4.68 118.95 118.31 2jxa s ARG 36 Ca 0.00 0.57 -0.11 0.00 -1.72 0.00 0.00 55.73 54.47 2jxa s ARG 36 Cb 0.00 -3.27 0.04 0.00 -0.45 0.00 0.00 34.95 31.27 2jxa s ARG 36 CO 0.00 0.56 0.35 0.50 -0.68 0.00 0.00 175.30 176.03 2jxa s ARG 37 N -0.73 0.39 0.04 3.54 3.52 -1.26 -0.62 118.95 123.82 2jxa s ARG 37 Ca 0.27 0.54 0.03 0.00 -0.13 0.00 0.00 55.73 56.44 2jxa s ARG 37 Cb -0.18 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 2jxa s ARG 37 CO 0.15 -0.08 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.27 2jxa s GLU 38 N 0.50 0.59 0.01 5.12 0.41 -0.54 -5.00 118.70 119.77 2jxa s GLU 38 Ca -0.03 -0.74 -0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2jxa s GLU 38 Cb -0.04 -0.42 -0.01 0.00 -1.78 0.00 0.00 34.13 31.88 2jxa s GLU 38 CO -0.03 0.09 -0.00 -1.17 -0.49 0.00 0.00 175.26 173.66 2jxa s LEU 39 N -1.47 2.07 -0.04 1.80 0.20 -1.26 -0.52 118.68 119.47 2jxa s LEU 39 Ca -0.07 -0.20 -0.08 0.00 0.69 0.00 0.00 54.13 54.46 2jxa s LEU 39 Cb -0.09 0.08 0.01 0.00 -0.43 0.00 0.00 46.19 45.76 2jxa s LEU 39 CO 0.01 -0.14 0.20 0.00 -0.29 0.00 0.00 176.35 176.13 2jxa s ALA 40 N -0.65 -0.49 0.17 5.97 0.00 -0.79 -4.99 121.76 120.98 2jxa s ALA 40 Ca -0.07 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 2jxa s ALA 40 Cb -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 2jxa s ALA 40 CO -0.00 -0.17 1.48 0.00 0.00 0.00 0.00 175.76 177.07 2jxa n GLU 42 N 3.62 0.31 -0.36 0.00 2.13 -1.24 -1.45 120.64 123.64 2jxa n GLU 42 Ca 0.12 0.11 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2jxa n GLU 42 Cb 0.40 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 1.79 0.80 3.45 8.31 0.00 -0.98 -4.88 105.19 113.69 2jxa n GLY 43 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.79 2.42 0.29 1.61 1.51 -0.53 -4.78 117.35 115.08 2jxa s TYR 44 Ca 0.00 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2jxa s TYR 44 Cb 0.00 -1.27 -0.10 0.00 -0.11 0.00 0.00 41.96 40.48 2jxa s TYR 44 CO 0.00 0.40 1.17 -1.25 -1.11 0.00 0.00 175.55 174.76 2jxa s PRO 45 N -2.26 4.54 -0.04 -1.71 0.04 -1.26 -0.59 135.00 133.72 2jxa s PRO 45 Ca 0.18 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.19 2jxa s PRO 45 Cb -0.10 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2jxa s PRO 45 CO 0.09 0.07 -0.15 -1.50 0.04 0.00 0.00 177.00 175.55 2jxa s ILE 46 N -1.09 2.98 -0.09 0.56 2.07 0.04 -4.90 121.20 120.77 2jxa s ILE 46 Ca 0.46 -0.80 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 2jxa s ILE 46 Cb -0.34 -2.17 -0.01 0.00 0.13 0.00 0.00 42.46 40.06 2jxa s ILE 46 CO 0.44 0.56 -0.20 -0.70 -1.91 0.00 0.00 174.94 173.14 2jxa s GLU 47 N -0.82 2.98 -0.01 3.50 2.12 -1.26 -2.19 118.70 123.02 2jxa s GLU 47 Ca 0.12 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.69 2jxa s GLU 47 Cb -0.11 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 2jxa s GLU 47 CO 0.01 0.29 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.35 2jxa s LEU 48 N 0.11 2.69 -0.14 2.70 1.43 0.69 -4.95 118.68 121.21 2jxa s LEU 48 Ca -0.10 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 2jxa s LEU 48 Cb -0.16 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2jxa s LEU 48 CO 0.06 0.31 0.35 -0.13 0.23 0.00 0.00 176.35 177.17 2jxa s ARG 49 N -1.04 0.37 -0.06 1.70 0.52 -1.26 -0.91 118.95 118.26 2jxa s ARG 49 Ca 0.13 0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 55.90 2jxa s ARG 49 Cb -0.11 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 2jxa s ARG 49 CO 0.03 -0.11 0.11 0.00 0.02 0.00 0.00 175.30 175.36 2jxa s PRO 51 N -1.39 2.64 4.43 0.00 0.04 -1.26 -4.69 135.00 134.77 2jxa s PRO 51 Ca 0.20 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2jxa s PRO 51 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jxa s PRO 51 CO 0.10 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2jxa n GLY 52 N -0.72 3.20 1.10 0.56 0.00 -1.26 -1.63 105.19 106.45 2jxa n GLY 52 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 3.77 3.46 -4.88 1.61 3.41 -1.26 -5.02 113.62 114.72 2jxa n SER 53 Ca 0.00 -3.31 -0.29 0.00 -0.26 0.00 0.00 58.87 55.01 2jxa n SER 53 Cb 0.00 -0.60 0.09 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 -2.06 4.48 0.06 4.04 1.01 -0.65 -3.63 116.67 119.93 2jxa s ASP 54 Ca 0.44 0.85 0.06 0.00 0.71 0.00 0.00 52.55 54.61 2jxa s ASP 54 Cb 0.38 -1.38 -0.03 0.00 1.01 0.00 0.00 42.92 42.90 2jxa s ASP 54 CO 0.06 -1.93 -0.17 0.68 0.21 0.00 0.00 175.17 174.02 2jxa s VAL 55 N -3.52 1.37 0.27 -1.27 -7.23 0.14 -4.26 120.40 105.91 2jxa s VAL 55 Ca 0.62 -1.20 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 2jxa s VAL 55 Cb -0.11 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.49 2jxa s VAL 55 CO 0.50 0.02 1.31 -0.63 -0.31 0.00 0.00 175.10 175.99 2jxa s ILE 56 N -0.95 2.94 -0.30 -0.62 1.01 0.49 -2.03 121.20 121.73 2jxa s ILE 56 Ca 0.04 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 2jxa s ILE 56 Cb -0.09 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.94 2jxa s ILE 56 CO 0.02 0.17 0.09 0.00 0.00 0.00 0.00 174.94 175.22 2jxa s MET 57 N -0.93 0.70 0.08 2.79 0.23 -0.19 -0.89 119.30 121.08 2jxa s MET 57 Ca 0.53 -1.01 -0.31 0.00 -1.03 0.00 0.00 55.69 53.87 2jxa s MET 57 Cb -0.38 -1.97 -0.08 0.00 -1.53 0.00 0.00 34.83 30.86 2jxa s MET 57 CO 0.45 -0.96 1.66 0.08 -2.03 0.00 0.00 175.02 174.22 2jxa s VAL 58 N 1.65 2.99 -0.25 5.16 1.01 -1.26 -2.35 120.40 127.35 2jxa s VAL 58 Ca 0.09 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 2jxa s VAL 58 Cb -0.17 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 2jxa s VAL 58 CO -0.24 0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.92 2jxa n GLU 59 N 5.50 0.54 -3.67 2.72 -0.58 -0.06 -4.97 120.64 120.12 2jxa n GLU 59 Ca 0.16 0.22 -0.15 0.00 -0.42 0.00 0.00 57.16 56.97 2jxa n GLU 59 Cb 0.40 -1.40 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 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 -7.16 -0.36 -0.12 1.62 0.01 -1.03 -5.03 114.94 102.87 2jxa s ASN 60 Ca -0.35 0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 51.79 2jxa s ASN 60 Cb 0.13 0.40 0.13 0.00 0.41 0.00 0.00 41.25 42.31 2jxa s ASN 60 CO 0.45 -0.52 1.04 0.00 -1.51 0.00 0.00 177.10 176.56 2jxa s ALA 61 N -1.37 -1.94 0.04 0.60 0.00 -1.26 0.18 121.76 118.02 2jxa s ALA 61 Ca -0.12 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 2jxa s ALA 61 Cb -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2jxa s ALA 61 CO 0.06 -0.51 0.32 1.21 0.00 0.00 0.00 175.76 176.84 2jxa s ASN 62 N -1.87 -0.15 -0.22 0.00 2.47 -0.75 -3.55 114.94 110.87 2jxa s ASN 62 Ca 0.04 -0.16 -0.00 0.00 0.42 0.00 0.00 52.86 53.16 2jxa s ASN 62 Cb -0.01 0.37 0.02 0.00 -1.45 0.00 0.00 41.25 40.18 2jxa s ASN 62 CO -0.04 -0.63 -0.12 -0.47 -3.72 0.00 0.00 177.10 172.12 2jxa s TYR 63 N -2.55 2.95 0.00 0.43 6.14 -1.25 -2.28 117.35 120.79 2jxa s TYR 63 Ca -0.05 -1.58 0.00 0.00 0.64 0.00 0.00 57.07 56.08 2jxa s TYR 63 Cb -0.01 -1.99 0.00 0.00 0.42 0.00 0.00 41.96 40.38 2jxa s TYR 63 CO -0.03 -0.75 0.00 0.41 0.64 0.00 0.00 175.55 175.82 2jxa n GLY 64 N 4.64 -0.43 3.64 8.97 0.00 -0.39 -2.87 105.19 118.75 2jxa n GLY 64 Ca -0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 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 0.59 0.00 1.61 3.52 -0.77 0.14 118.95 122.49 2jxa s ARG 65 Ca 0.00 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 2jxa s ARG 65 Cb 0.00 0.72 0.00 0.00 -1.56 0.00 0.00 34.95 34.11 2jxa s ARG 65 CO 0.00 -0.18 0.84 0.25 -0.81 0.00 0.00 175.30 175.39 2jxa n THR 66 N 5.21 0.70 -3.83 4.11 -2.24 -1.26 -0.03 114.28 116.95 2jxa n THR 66 Ca -0.13 -0.75 -0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2jxa n THR 66 Cb 0.51 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.35 -0.01 0.00 3.42 2.03 -1.26 -4.73 116.55 115.64 2jxa n ASP 67 Ca 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.28 2jxa n ASP 67 Cb 0.28 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.63 0.00 -0.99 1.67 5.68 -1.26 -4.47 116.55 114.56 2jxa n ASP 68 Ca 0.00 -0.96 0.09 0.00 -0.50 0.00 0.00 54.79 53.42 2jxa n ASP 68 Cb 0.01 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.20 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 2.49 -4.43 0.11 5.02 -1.26 -4.88 118.16 115.21 2jxa n LYS 69 Ca 0.00 -2.22 -0.34 0.00 -2.02 0.00 0.00 58.31 53.73 2jxa n LYS 69 Cb 0.24 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.13 4.01 -0.76 -0.18 -1.09 -1.26 -4.66 121.20 116.13 2jxa s ILE 70 Ca 0.34 -0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2jxa s ILE 70 Cb 0.19 -2.71 -0.00 0.00 -1.58 0.00 0.00 42.46 38.36 2jxa s ILE 70 CO 0.26 0.55 0.68 0.00 -1.23 0.00 0.00 174.94 175.20 2jxa n ASP 72 N -1.97 1.93 -0.34 0.00 5.68 -1.26 -4.90 116.55 115.69 2jxa n ASP 72 Ca -0.07 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 2jxa n ASP 72 Cb 0.54 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 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 8.59 0.00 -1.77 2.12 0.00 -1.26 -5.11 120.51 123.07 2jxa n ALA 73 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 2jxa n ALA 73 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 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 0.56 6.38 0.30 0.00 1.47 -1.26 -4.85 116.67 119.27 2jxa s ASP 74 Ca 0.00 2.79 0.02 0.00 1.18 0.00 0.00 52.55 56.54 2jxa s ASP 74 Cb 0.00 -2.65 0.57 0.00 -0.34 0.00 0.00 42.92 40.50 2jxa s ASP 74 CO 0.00 -0.82 1.88 1.55 0.68 0.00 0.00 175.17 178.46 2jxa h PRO 75 N 2.89 0.95 -0.37 2.11 0.13 -1.99 -1.03 132.00 134.68 2jxa h PRO 75 Ca -0.50 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 2jxa h PRO 75 Cb 1.24 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2jxa h PRO 75 CO 0.63 0.63 0.09 0.74 -0.23 0.00 0.00 178.00 179.86 2jxa h PHE 76 N 0.98 0.55 0.00 1.56 0.04 -1.98 0.17 116.94 118.26 2jxa h PHE 76 Ca 0.44 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.17 2jxa h PHE 76 Cb 0.37 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.36 2jxa h PHE 76 CO -0.00 0.48 -0.43 1.04 -0.60 0.00 0.00 178.31 178.80 2jxa n GLN 77 N -4.33 0.12 0.00 1.51 6.02 -0.60 -3.46 117.38 116.63 2jxa n GLN 77 Ca 0.02 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.16 2jxa n GLN 77 Cb 0.19 -1.58 0.01 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.75 1.43 -0.05 -1.09 2.81 -0.49 -1.86 117.12 116.11 2jxa n MET 78 Ca 0.05 -1.14 -0.12 0.00 -1.81 0.00 0.00 57.70 54.68 2jxa n MET 78 Cb 0.38 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 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 2.75 0.26 -6.10 0.03 5.08 -0.74 -3.40 114.58 112.45 2jxa h GLU 79 Ca 0.00 -0.09 -0.58 0.00 -1.00 0.00 0.00 59.36 57.69 2jxa h GLU 79 Cb 0.78 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 2jxa h GLU 79 CO 0.00 0.52 0.82 1.21 -1.00 0.00 0.00 179.01 180.56 2jxa s ASN 80 N -5.81 7.07 -0.37 1.42 2.47 -1.26 -4.90 114.94 113.55 2jxa s ASN 80 Ca -0.14 1.41 0.06 0.00 0.42 0.00 0.00 52.86 54.61 2jxa s ASN 80 Cb 0.05 -2.54 0.51 0.00 -1.45 0.00 0.00 41.25 37.83 2jxa s ASN 80 CO 0.72 -0.69 1.57 1.33 -3.72 0.00 0.00 177.10 176.30 2jxa n VAL 81 N 5.36 2.81 -3.41 -5.21 0.24 -1.26 -4.70 118.33 112.16 2jxa n VAL 81 Ca 0.12 -2.94 -0.26 0.00 -2.04 0.00 0.00 64.34 59.22 2jxa n VAL 81 Cb 0.46 -0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 32.11 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 -3.41 0.67 -0.17 7.34 -1.52 -0.91 -4.08 119.66 117.58 2jxa s GLN 82 Ca 0.51 -1.48 -0.06 0.00 -1.95 0.00 0.00 55.36 52.38 2jxa s GLN 82 Cb 0.43 -1.21 0.08 0.00 -0.22 0.00 0.00 33.01 32.09 2jxa s GLN 82 CO 0.02 -1.26 0.35 0.00 -0.25 0.00 0.00 175.29 174.14 2jxa s TYR 84 N 2.43 1.15 -0.36 0.00 2.02 -1.26 -1.85 117.35 119.48 2jxa s TYR 84 Ca -0.01 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2jxa s TYR 84 Cb -0.12 -0.65 0.14 0.00 -0.40 0.00 0.00 41.96 40.92 2jxa s TYR 84 CO -0.11 0.04 0.21 -1.17 -1.57 0.00 0.00 175.55 172.95 2jxa s LEU 85 N -1.66 1.19 0.18 -1.29 2.96 -1.14 -4.90 118.68 114.03 2jxa s LEU 85 Ca -0.03 -2.17 -0.13 0.00 -0.22 0.00 0.00 54.13 51.58 2jxa s LEU 85 Cb -0.10 -0.49 0.18 0.00 0.50 0.00 0.00 46.19 46.29 2jxa s LEU 85 CO 0.02 -0.31 1.71 -0.65 -1.32 0.00 0.00 176.35 175.79 2jxa h PRO 86 N 7.09 0.20 -0.21 0.98 0.11 -1.90 -1.85 132.00 136.42 2jxa h PRO 86 Ca 0.03 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.19 2jxa h PRO 86 Cb 0.97 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2jxa h PRO 86 CO 0.31 0.13 0.33 -0.44 -0.21 0.00 0.00 178.00 178.12 2jxa h ASP 87 N 0.20 0.00 -0.67 -2.05 3.32 -1.96 -1.24 116.42 114.03 2jxa h ASP 87 Ca 0.24 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.45 2jxa h ASP 87 Cb 0.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 2jxa h ASP 87 CO -0.34 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 177.65 2jxa h ALA 88 N 1.54 2.35 -0.45 3.45 0.00 -1.62 -0.63 119.26 123.89 2jxa h ALA 88 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jxa h ALA 88 Cb 0.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2jxa h ALA 88 CO -0.00 -0.53 0.08 0.35 0.00 0.00 0.00 179.25 179.15 2jxa h PHE 89 N 0.20 0.79 -0.73 0.00 3.57 -1.27 -2.66 116.94 116.84 2jxa h PHE 89 Ca 0.32 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2jxa h PHE 89 Cb 1.00 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2jxa h PHE 89 CO -0.00 0.74 0.19 1.57 -2.23 0.00 0.00 178.31 178.58 2jxa h LYS 90 N 0.61 1.16 -0.02 1.11 2.10 -1.29 -0.32 116.57 119.92 2jxa h LYS 90 Ca 0.14 -0.27 0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2jxa h LYS 90 Cb 0.37 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2jxa h LYS 90 CO 0.01 1.01 -0.04 0.82 -2.00 0.00 0.00 179.45 179.24 2jxa h ILE 91 N 1.10 0.88 -0.26 0.07 2.04 -1.32 -1.47 117.51 118.55 2jxa h ILE 91 Ca 0.23 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.97 2jxa h ILE 91 Cb 0.36 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2jxa h ILE 91 CO -0.00 0.00 -0.32 0.24 0.00 0.00 0.00 178.15 178.07 2jxa h MET 92 N -0.07 0.55 -0.23 2.37 2.86 -1.36 -1.89 114.93 117.15 2jxa h MET 92 Ca 0.03 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2jxa h MET 92 Cb 0.10 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2jxa h MET 92 CO -0.06 0.80 0.08 0.77 1.06 0.00 0.00 176.91 179.56 2jxa h SER 93 N 0.47 0.09 -0.30 1.22 0.02 -0.69 0.53 113.55 114.89 2jxa h SER 93 Ca 0.06 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2jxa h SER 93 Cb 0.79 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2jxa h SER 93 CO 0.06 0.08 -0.22 1.56 -1.14 0.00 0.00 176.83 177.18 2jxa h GLN 94 N 0.19 0.77 0.03 3.45 4.20 -1.20 0.15 115.11 122.70 2jxa h GLN 94 Ca 0.10 -0.31 -0.24 0.00 0.06 0.00 0.00 58.65 58.26 2jxa h GLN 94 Cb 0.07 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.82 2jxa h GLN 94 CO -0.11 0.92 -1.02 0.00 -0.67 0.00 0.00 178.83 177.96 2jxa h ARG 95 N 0.68 0.44 0.00 1.46 3.08 -0.83 -3.40 114.38 115.81 2jxa h ARG 95 Ca 0.09 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 2jxa h ARG 95 Cb 0.73 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 2jxa h ARG 95 CO 0.06 1.17 -1.30 0.00 -1.07 0.00 0.00 179.97 178.82 2jxa n ASN 97 N -1.76 3.70 -0.38 0.00 3.02 0.04 -1.97 115.26 117.91 2jxa n ASN 97 Ca -0.02 1.22 -0.05 0.00 -0.03 0.00 0.00 54.58 55.71 2jxa n ASN 97 Cb 0.21 -1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 37.75 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 0.52 -4.30 -4.41 6.41 4.13 -0.07 -4.95 115.26 112.59 2jxa n ASN 98 Ca 0.02 0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.11 2jxa n ASN 98 Cb 0.38 -2.24 -0.13 0.00 -1.54 0.00 0.00 39.78 36.26 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 -1.90 1.49 0.26 3.52 0.52 -0.83 -4.82 118.95 117.20 2jxa s ARG 99 Ca 0.00 -1.31 0.05 0.00 -0.52 0.00 0.00 55.73 53.95 2jxa s ARG 99 Cb 0.00 -1.95 0.33 0.00 0.52 0.00 0.00 34.95 33.85 2jxa s ARG 99 CO 0.00 0.46 1.62 1.15 0.02 0.00 0.00 175.30 178.55 2jxa h THR 100 N 3.81 1.35 -3.89 0.02 2.02 -1.86 1.43 112.91 115.78 2jxa h THR 100 Ca -0.51 -1.75 -0.10 0.00 0.77 0.00 0.00 66.41 64.82 2jxa h THR 100 Cb 1.17 1.83 -0.15 0.00 -1.74 0.00 0.00 68.15 69.26 2jxa h THR 100 CO 0.41 0.52 -0.47 0.00 0.37 0.00 0.00 175.52 176.35 2jxa s GLN 101 N -3.96 0.74 -0.16 6.66 1.03 -1.26 0.16 119.66 122.87 2jxa s GLN 101 Ca -0.04 -0.96 -0.20 0.00 0.04 0.00 0.00 55.36 54.19 2jxa s GLN 101 Cb 0.13 0.29 0.05 0.00 0.03 0.00 0.00 33.01 33.51 2jxa s GLN 101 CO 0.79 -0.21 0.53 0.00 -2.54 0.00 0.00 175.29 173.87 2jxa s VAL 103 N -0.15 1.10 -0.05 0.00 1.01 -1.26 -0.22 120.40 120.83 2jxa s VAL 103 Ca -0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2jxa s VAL 103 Cb -0.03 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2jxa s VAL 103 CO 0.03 0.35 0.18 -0.69 0.00 0.00 0.00 175.10 174.97 2jxa s VAL 104 N 0.76 0.02 -0.21 2.92 1.01 -0.93 -4.94 120.40 119.03 2jxa s VAL 104 Ca -0.13 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2jxa s VAL 104 Cb -0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 2jxa s VAL 104 CO 0.03 -0.10 1.19 -0.69 0.00 0.00 0.00 175.10 175.53 2jxa s VAL 105 N -0.29 4.40 0.00 2.92 1.01 -1.26 -0.78 120.40 126.40 2jxa s VAL 105 Ca -0.04 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2jxa s VAL 105 Cb -0.03 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2jxa s VAL 105 CO 0.01 -0.21 0.50 0.00 0.00 0.00 0.00 175.10 175.39 2jxa n ALA 106 N 6.67 2.02 0.00 5.51 0.00 0.24 -4.70 120.51 130.24 2jxa n ALA 106 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jxa n ALA 106 Cb 0.46 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.87 -0.45 1.42 0.00 0.00 -1.26 -2.31 105.19 103.46 2jxa n GLY 107 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.21 113.62 112.64 2jxa n SER 108 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jxa n SER 108 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 2jxa n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jxa n ASP 109 N 0.03 0.00 0.03 -3.46 8.00 -1.26 -1.78 116.55 118.11 2jxa n ASP 109 Ca 0.00 0.39 0.13 0.00 0.71 0.00 0.00 54.79 56.02 2jxa n ASP 109 Cb 0.00 -0.43 0.49 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.43 2.53 -3.73 2.24 0.00 -1.26 -4.75 120.51 114.12 2jxa n ALA 110 Ca 0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 2jxa n ALA 110 Cb 0.09 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.04 0.00 0.00 0.00 0.08 -0.73 -4.99 117.98 109.30 2jxa s PHE 111 Ca 0.12 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.41 2jxa s PHE 111 Cb 0.17 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.32 2jxa s PHE 111 CO 0.58 -0.14 0.00 -2.30 -0.10 0.00 0.00 175.22 173.26 2jxa n PRO 112 N 4.59 2.43 -3.55 0.24 -0.02 -1.26 -4.56 135.00 132.86 2jxa n PRO 112 Ca -0.19 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.00 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 -2.69 3.31 -0.14 2.55 2.15 -1.26 -4.93 116.67 115.67 2jxa s ASP 113 Ca 0.00 -2.00 -0.14 0.00 0.43 0.00 0.00 52.55 50.84 2jxa s ASP 113 Cb 0.00 -0.54 -0.12 0.00 -0.30 0.00 0.00 42.92 41.96 2jxa s ASP 113 CO 0.00 -0.34 0.27 1.55 -0.17 0.00 0.00 175.17 176.48 2jxa h PRO 114 N 7.39 0.00 -3.11 4.34 0.13 -1.91 -3.44 132.00 135.40 2jxa h PRO 114 Ca -0.03 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.48 2jxa h PRO 114 Cb 0.98 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.70 2jxa h PRO 114 CO 0.36 0.49 -0.71 0.00 -0.23 0.00 0.00 178.00 177.90 2jxa s PRO 116 N 0.25 4.41 0.00 0.00 0.05 -1.26 -3.54 135.00 134.91 2jxa s PRO 116 Ca 0.17 2.13 0.00 0.00 0.05 0.00 0.00 61.00 63.36 2jxa s PRO 116 Cb -0.25 -3.09 0.00 0.00 0.05 0.00 0.00 34.50 31.21 2jxa s PRO 116 CO -0.00 -0.11 0.00 0.41 0.05 0.00 0.00 177.00 177.35 2jxa n GLY 117 N 0.87 0.73 3.20 0.56 0.00 -1.26 -5.08 105.19 104.21 2jxa n GLY 117 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 1.37 -0.70 2.61 2.01 -1.23 -4.59 115.64 113.06 2jxa s THR 118 Ca 0.00 -1.17 -0.23 0.00 0.31 0.00 0.00 61.69 60.60 2jxa s THR 118 Cb 0.00 -1.23 0.07 0.00 0.01 0.00 0.00 72.50 71.34 2jxa s THR 118 CO 0.00 0.03 1.04 -0.47 -0.69 0.00 0.00 174.62 174.54 2jxa s TYR 119 N -0.92 2.63 0.00 4.92 5.04 -0.78 -4.99 117.35 123.24 2jxa s TYR 119 Ca 0.04 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 2jxa s TYR 119 Cb -0.09 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 37.86 2jxa s TYR 119 CO 0.02 -1.73 0.00 1.63 -1.34 0.00 0.00 175.55 174.13 2jxa n LYS 120 N 7.97 1.63 -3.80 4.97 5.02 -1.26 -4.83 118.16 127.86 2jxa n LYS 120 Ca -0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 2jxa n LYS 120 Cb 0.46 0.00 0.00 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 -0.00 -0.08 2.13 -0.85 0.36 -3.72 117.35 115.19 2jxa s TYR 121 Ca 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 2jxa s TYR 121 Cb 0.00 0.57 0.02 0.00 0.38 0.00 0.00 41.96 42.93 2jxa s TYR 121 CO 0.00 -0.33 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.47 2jxa s LEU 122 N -3.38 1.13 -0.14 -3.49 2.96 -0.93 -1.26 118.68 113.58 2jxa s LEU 122 Ca 0.21 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2jxa s LEU 122 Cb 0.02 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 2jxa s LEU 122 CO -0.02 -0.10 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.07 2jxa s GLU 123 N 1.45 3.31 -0.12 1.98 2.12 -0.96 -1.88 118.70 124.59 2jxa s GLU 123 Ca -0.01 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 2jxa s GLU 123 Cb -0.13 -2.61 0.03 0.00 0.26 0.00 0.00 34.13 31.67 2jxa s GLU 123 CO -0.04 0.14 -0.05 0.08 -0.54 0.00 0.00 175.26 174.86 2jxa s VAL 124 N 0.52 0.86 -0.17 3.70 1.01 0.33 -1.82 120.40 124.83 2jxa s VAL 124 Ca -0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 2jxa s VAL 124 Cb -0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2jxa s VAL 124 CO 0.04 0.25 0.02 -1.10 0.00 0.00 0.00 175.10 174.31 2jxa s GLN 125 N 1.76 3.81 0.27 2.72 -0.21 0.13 -1.47 119.66 126.67 2jxa s GLN 125 Ca 0.04 -0.43 -0.13 0.00 0.02 0.00 0.00 55.36 54.85 2jxa s GLN 125 Cb -0.13 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.79 2jxa s GLN 125 CO -0.07 0.22 0.54 1.52 -2.12 0.00 0.00 175.29 175.38 2jxa s TYR 126 N 0.46 0.33 0.18 0.91 -0.85 0.21 -0.88 117.35 117.71 2jxa s TYR 126 Ca 0.00 -0.72 0.06 0.00 -0.52 0.00 0.00 57.07 55.89 2jxa s TYR 126 Cb -0.13 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 2jxa s TYR 126 CO 0.02 -1.09 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.35 2jxa s ASP 127 N -3.03 2.10 -0.20 -0.18 1.11 -0.99 -0.85 116.67 114.64 2jxa s ASP 127 Ca 0.21 -1.05 -0.04 0.00 0.18 0.00 0.00 52.55 51.85 2jxa s ASP 127 Cb -0.02 -0.06 -0.02 0.00 1.07 0.00 0.00 42.92 43.90 2jxa s ASP 127 CO 0.10 -0.30 -0.03 0.00 1.18 0.00 0.00 175.17 176.12 2jxa s VAL 129 N 1.07 2.00 0.63 0.00 -7.23 -0.86 -4.82 120.40 111.19 2jxa s VAL 129 Ca 0.01 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 2jxa s VAL 129 Cb -0.15 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 2jxa s VAL 129 CO 0.01 -0.39 1.28 -2.84 -0.31 0.00 0.00 175.10 172.85 2jxa s PRO 130 N -3.16 2.70 0.00 4.82 0.02 -1.26 0.26 135.00 138.38 2jxa s PRO 130 Ca 0.21 2.03 0.29 0.00 0.02 0.00 0.00 61.00 63.56 2jxa s PRO 130 Cb -0.04 -1.90 1.51 0.00 0.02 0.00 0.00 34.50 34.09 2jxa s PRO 130 CO 0.09 -1.48 2.03 0.98 -0.33 0.00 0.00 177.00 178.29 2jxa n TYR 131 N -1.75 0.00 -3.65 6.54 9.36 -1.24 -4.47 117.16 121.95 2jxa n TYR 131 Ca 0.15 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.08 2jxa n TYR 131 Cb 0.48 -0.25 -0.15 0.00 -0.63 0.00 0.00 39.34 38.78 2jxa n TYR 131 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2jxa s LYS 132 N -2.51 0.46 -0.07 2.98 -2.85 -1.26 -5.12 119.74 111.37 2jxa s LYS 132 Ca 0.30 -0.68 -0.19 0.00 -1.00 0.00 0.00 55.97 54.40 2jxa s LYS 132 Cb 0.20 -1.69 -0.05 0.00 -2.06 0.00 0.00 37.83 34.23 2jxa s LYS 132 CO 0.43 -0.91 0.52 0.08 0.10 0.00 0.00 175.35 175.57 2jxa s VAL 133 N 1.88 5.08 0.00 1.79 1.01 -1.26 -5.23 120.40 123.67 2jxa s VAL 133 Ca 0.07 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2jxa s VAL 133 Cb -0.17 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2jxa s VAL 133 CO -0.25 0.37 0.00 1.21 0.00 0.00 0.00 175.10 176.43