#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 2.65 0.59 0.99 0.20 -1.26 -5.12 118.68 116.73 2jxa s LEU 30 Ca 0.00 -2.74 -0.18 0.00 0.69 0.00 0.00 54.13 51.90 2jxa s LEU 30 Cb 0.00 -0.99 -0.06 0.00 -0.43 0.00 0.00 46.19 44.71 2jxa s LEU 30 CO 0.00 -0.25 0.81 -2.65 -0.29 0.00 0.00 176.35 173.97 2jxa n PRO 31 N 3.38 0.74 0.00 0.98 -0.02 -1.26 -4.88 135.00 133.94 2jxa n PRO 31 Ca 0.12 0.29 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 2jxa n PRO 31 Cb 0.36 -2.00 0.77 0.00 -0.02 0.00 0.00 33.50 32.61 2jxa n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jxa n PHE 32 N -1.75 0.00 -1.19 6.00 3.72 -1.26 -4.88 117.46 118.10 2jxa n PHE 32 Ca 0.13 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2jxa n PHE 32 Cb 0.48 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jxa n GLY 33 N 1.16 0.87 2.70 1.37 0.00 -1.26 -4.87 105.19 105.15 2jxa n GLY 33 Ca 0.19 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 2jxa n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jxa n LEU 34 N -0.73 -1.82 -1.37 0.99 4.77 -1.26 -5.14 117.00 112.44 2jxa n LEU 34 Ca -0.06 -3.45 0.16 0.00 -0.03 0.00 0.00 56.01 52.63 2jxa n LEU 34 Cb 0.21 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2jxa n LEU 34 CO 0.10 1.88 -0.56 0.80 -1.33 0.00 0.00 177.39 178.28 2jxa n MET 35 N -0.65 -3.02 -3.38 3.23 0.00 -1.26 -4.82 117.12 107.23 2jxa n MET 35 Ca -0.04 2.44 -0.35 0.00 0.00 0.00 0.00 57.70 59.75 2jxa n MET 35 Cb 0.85 -3.60 -0.06 0.00 0.00 0.00 0.00 33.22 30.42 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 -4.22 3.97 -0.15 2.12 0.52 -0.83 -4.73 118.95 115.62 2jxa s ARG 36 Ca 0.00 0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 55.57 2jxa s ARG 36 Cb 0.00 -2.96 0.05 0.00 0.52 0.00 0.00 34.95 32.56 2jxa s ARG 36 CO 0.00 0.50 0.39 0.50 0.02 0.00 0.00 175.30 176.71 2jxa s ARG 37 N -1.88 0.40 0.07 3.54 3.52 -1.26 -2.08 118.95 121.25 2jxa s ARG 37 Ca 0.36 0.67 0.05 0.00 -0.13 0.00 0.00 55.73 56.68 2jxa s ARG 37 Cb -0.15 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.27 2jxa s ARG 37 CO 0.19 -0.12 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.21 2jxa s GLU 38 N 0.93 0.83 -0.02 5.12 8.01 -1.01 -5.01 118.70 127.55 2jxa s GLU 38 Ca -0.06 -0.92 -0.02 0.00 0.01 0.00 0.00 54.97 53.98 2jxa s GLU 38 Cb -0.06 -0.84 0.01 0.00 -4.31 0.00 0.00 34.13 28.92 2jxa s GLU 38 CO -0.07 0.19 0.06 -1.17 0.01 0.00 0.00 175.26 174.28 2jxa s LEU 39 N -1.65 1.70 0.01 1.80 0.20 -1.26 -1.72 118.68 117.76 2jxa s LEU 39 Ca -0.02 0.12 0.00 0.00 0.69 0.00 0.00 54.13 54.93 2jxa s LEU 39 Cb -0.10 0.19 -0.01 0.00 -0.43 0.00 0.00 46.19 45.85 2jxa s LEU 39 CO 0.02 -0.03 -0.01 0.00 -0.29 0.00 0.00 176.35 176.04 2jxa s ALA 40 N 0.13 0.04 0.18 5.97 0.00 -0.91 -4.99 121.76 122.19 2jxa s ALA 40 Ca -0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 2jxa s ALA 40 Cb -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2jxa s ALA 40 CO -0.00 -0.05 1.24 0.00 0.00 0.00 0.00 175.76 176.95 2jxa n GLU 42 N 2.61 0.41 -0.00 0.00 2.13 -1.23 -2.23 120.64 122.32 2jxa n GLU 42 Ca 0.05 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2jxa n GLU 42 Cb 0.44 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.71 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 0.31 3.45 8.31 0.00 -1.05 -4.91 105.19 113.12 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 -2.11 2.45 0.38 1.61 2.02 -0.95 -4.77 117.35 115.99 2jxa s TYR 44 Ca 0.00 -0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 56.13 2jxa s TYR 44 Cb 0.00 -1.29 -0.09 0.00 -0.40 0.00 0.00 41.96 40.18 2jxa s TYR 44 CO 0.00 0.39 1.24 -1.25 -1.57 0.00 0.00 175.55 174.36 2jxa s PRO 45 N -2.20 4.11 0.03 -1.71 0.04 -1.26 -0.68 135.00 133.33 2jxa s PRO 45 Ca 0.17 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.32 2jxa s PRO 45 Cb -0.10 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 2jxa s PRO 45 CO 0.09 -0.33 -0.22 -1.50 0.04 0.00 0.00 177.00 175.08 2jxa s ILE 46 N -1.29 2.46 -0.06 0.56 2.07 0.36 -4.87 121.20 120.42 2jxa s ILE 46 Ca 0.55 -1.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.57 2jxa s ILE 46 Cb -0.35 -1.98 0.02 0.00 0.13 0.00 0.00 42.46 40.27 2jxa s ILE 46 CO 0.45 0.39 -0.10 -0.70 -1.91 0.00 0.00 174.94 173.08 2jxa s GLU 47 N -1.22 1.47 0.03 3.50 2.12 -1.26 -0.98 118.70 122.36 2jxa s GLU 47 Ca 0.13 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.17 2jxa s GLU 47 Cb -0.10 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 2jxa s GLU 47 CO 0.03 -0.02 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.17 2jxa s LEU 48 N 0.80 3.26 -0.08 2.70 1.43 -0.77 -4.96 118.68 121.06 2jxa s LEU 48 Ca -0.12 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2jxa s LEU 48 Cb -0.15 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.18 2jxa s LEU 48 CO 0.02 0.25 0.20 -0.13 0.23 0.00 0.00 176.35 176.92 2jxa s ARG 49 N -1.70 0.19 -0.06 1.70 0.52 -1.26 -2.14 118.95 116.21 2jxa s ARG 49 Ca 0.20 0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 55.76 2jxa s ARG 49 Cb -0.11 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 2jxa s ARG 49 CO 0.11 -0.11 0.11 0.00 0.02 0.00 0.00 175.30 175.43 2jxa s PRO 51 N -1.40 2.79 4.46 0.00 0.04 -1.26 -4.69 135.00 134.93 2jxa s PRO 51 Ca 0.20 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2jxa s PRO 51 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2jxa s PRO 51 CO 0.10 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.29 2jxa n GLY 52 N -0.54 3.01 1.63 0.56 0.00 -1.26 -1.58 105.19 107.02 2jxa n GLY 52 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 2.68 4.01 -4.88 1.61 3.41 -1.26 -4.99 113.62 114.19 2jxa n SER 53 Ca 0.00 -3.36 -0.30 0.00 -0.26 0.00 0.00 58.87 54.95 2jxa n SER 53 Cb 0.00 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.30 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 -1.58 5.45 0.07 4.04 1.01 -0.62 -1.94 116.67 123.10 2jxa s ASP 54 Ca 0.51 1.16 0.07 0.00 0.71 0.00 0.00 52.55 55.00 2jxa s ASP 54 Cb 0.42 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 2jxa s ASP 54 CO 0.09 -1.34 -0.18 0.68 0.21 0.00 0.00 175.17 174.64 2jxa s VAL 55 N -3.34 1.43 0.30 -1.27 -7.23 0.46 -4.33 120.40 106.42 2jxa s VAL 55 Ca 0.58 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 2jxa s VAL 55 Cb -0.11 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.43 2jxa s VAL 55 CO 0.52 -0.02 1.17 -0.63 -0.31 0.00 0.00 175.10 175.84 2jxa s ILE 56 N -1.02 3.21 -0.29 -0.62 1.01 0.18 -2.03 121.20 121.65 2jxa s ILE 56 Ca 0.04 1.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.90 2jxa s ILE 56 Cb -0.09 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.69 2jxa s ILE 56 CO 0.03 0.29 0.08 0.00 0.00 0.00 0.00 174.94 175.33 2jxa s MET 57 N -1.54 0.75 0.07 2.79 0.23 -0.43 -1.31 119.30 119.86 2jxa s MET 57 Ca 0.46 -0.96 -0.31 0.00 -1.03 0.00 0.00 55.69 53.85 2jxa s MET 57 Cb -0.35 -2.04 -0.08 0.00 -1.53 0.00 0.00 34.83 30.83 2jxa s MET 57 CO 0.45 -0.91 1.70 0.08 -2.03 0.00 0.00 175.02 174.31 2jxa s VAL 58 N 1.64 2.98 -0.22 5.16 1.01 -1.26 -2.35 120.40 127.36 2jxa s VAL 58 Ca 0.07 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2jxa s VAL 58 Cb -0.17 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 2jxa s VAL 58 CO -0.22 -0.00 -0.30 -0.62 0.00 0.00 0.00 175.10 173.96 2jxa n GLU 59 N 5.78 0.49 -3.77 2.72 -0.58 -0.02 -4.97 120.64 120.30 2jxa n GLU 59 Ca 0.16 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2jxa n GLU 59 Cb 0.40 -1.33 -0.09 0.00 -0.57 0.00 0.00 31.44 29.85 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 -6.92 -0.22 -0.08 1.62 0.01 -1.03 -5.03 114.94 103.29 2jxa s ASN 60 Ca -0.32 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 2jxa s ASN 60 Cb 0.11 0.41 0.12 0.00 0.41 0.00 0.00 41.25 42.30 2jxa s ASN 60 CO 0.41 -0.33 0.97 0.00 -1.51 0.00 0.00 177.10 176.63 2jxa s ALA 61 N -0.85 -1.89 -0.01 0.60 0.00 -1.26 0.14 121.76 118.48 2jxa s ALA 61 Ca -0.09 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 2jxa s ALA 61 Cb -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.07 2jxa s ALA 61 CO 0.03 -0.54 0.42 1.21 0.00 0.00 0.00 175.76 176.88 2jxa s ASN 62 N -1.97 -0.33 -0.14 0.00 2.47 -0.73 -3.78 114.94 110.47 2jxa s ASN 62 Ca 0.03 0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.57 2jxa s ASN 62 Cb -0.01 0.39 0.01 0.00 -1.45 0.00 0.00 41.25 40.19 2jxa s ASN 62 CO -0.05 -0.53 -0.21 -0.47 -3.72 0.00 0.00 177.10 172.13 2jxa s TYR 63 N -1.49 2.69 0.00 0.43 5.04 -1.26 -2.24 117.35 120.53 2jxa s TYR 63 Ca -0.12 -1.30 0.00 0.00 -2.44 0.00 0.00 57.07 53.21 2jxa s TYR 63 Cb -0.03 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.45 2jxa s TYR 63 CO 0.05 -0.59 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 2jxa n GLY 64 N 4.08 -0.28 3.18 8.97 0.00 -0.74 -3.31 105.19 117.09 2jxa n GLY 64 Ca -0.20 -0.58 -0.05 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 -1.69 0.42 0.00 1.61 3.52 -0.88 0.51 118.95 122.44 2jxa s ARG 65 Ca 0.00 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 2jxa s ARG 65 Cb 0.00 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2jxa s ARG 65 CO 0.00 -0.45 0.69 0.25 -0.81 0.00 0.00 175.30 174.97 2jxa n THR 66 N 5.40 0.47 -3.81 4.11 -2.24 -1.26 0.15 114.28 117.10 2jxa n THR 66 Ca -0.06 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 2jxa n THR 66 Cb 0.50 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.47 -0.00 0.00 3.42 2.15 -1.26 -4.68 116.67 115.83 2jxa s ASP 67 Ca 0.00 -0.41 0.02 0.00 0.43 0.00 0.00 52.55 52.59 2jxa s ASP 67 Cb 0.00 0.34 0.04 0.00 -0.30 0.00 0.00 42.92 43.00 2jxa s ASP 67 CO 0.00 -0.65 0.84 -0.90 -0.17 0.00 0.00 175.17 174.29 2jxa n ASP 68 N 0.34 1.75 -0.94 -0.34 5.68 -1.26 -4.53 116.55 117.25 2jxa n ASP 68 Ca -0.17 -1.62 0.10 0.00 -0.50 0.00 0.00 54.79 52.60 2jxa n ASP 68 Cb 0.61 -0.02 0.17 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 -0.14 2.20 -4.78 0.11 5.02 -1.26 -4.89 118.16 114.43 2jxa n LYS 69 Ca 0.02 -2.03 -0.33 0.00 -2.02 0.00 0.00 58.31 53.94 2jxa n LYS 69 Cb 0.18 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.34 3.25 -0.68 -0.18 -1.09 -1.26 -4.74 121.20 115.15 2jxa s ILE 70 Ca 0.31 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 58.04 2jxa s ILE 70 Cb 0.18 -2.32 0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2jxa s ILE 70 CO 0.26 0.57 0.66 0.00 -1.23 0.00 0.00 174.94 175.20 2jxa n ASP 72 N -1.58 3.38 -0.41 0.00 2.03 -1.26 -4.96 116.55 113.75 2jxa n ASP 72 Ca -0.05 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2jxa n ASP 72 Cb 0.54 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jxa n ALA 73 N 5.24 0.00 -1.76 -1.67 0.00 -1.26 -5.11 120.51 115.94 2jxa n ALA 73 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2jxa n ALA 73 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 2jxa n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jxa n ASP 74 N -1.19 3.64 -0.27 0.00 5.75 -1.26 -4.86 116.55 118.36 2jxa n ASP 74 Ca 0.00 1.22 0.11 0.00 -0.01 0.00 0.00 54.79 56.10 2jxa n ASP 74 Cb 0.00 -1.60 0.36 0.00 -1.03 0.00 0.00 41.12 38.85 2jxa n ASP 74 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2jxa h PRO 75 N 3.07 0.71 -0.42 0.11 0.13 -1.99 -1.40 132.00 132.21 2jxa h PRO 75 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.25 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2jxa h PRO 75 CO 0.65 0.47 0.13 0.74 -0.23 0.00 0.00 178.00 179.77 2jxa h PHE 76 N 0.74 0.61 -0.29 1.56 0.04 -1.98 0.11 116.94 117.72 2jxa h PHE 76 Ca 0.43 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.17 2jxa h PHE 76 Cb 0.63 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2jxa h PHE 76 CO -0.00 0.51 0.00 1.04 -0.60 0.00 0.00 178.31 179.26 2jxa n GLN 77 N -4.34 1.70 0.00 1.51 6.02 -0.55 -3.35 117.38 118.36 2jxa n GLN 77 Ca 0.03 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 2jxa n GLN 77 Cb 0.17 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 0.38 3.46 -0.00 -1.09 2.81 0.05 -0.53 117.12 122.20 2jxa n MET 78 Ca 0.11 -0.16 -0.12 0.00 -1.81 0.00 0.00 57.70 55.72 2jxa n MET 78 Cb 0.26 -0.62 -0.07 0.00 -0.71 0.00 0.00 33.22 32.08 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 0.09 -6.21 0.03 5.08 -0.89 -3.41 114.58 109.27 2jxa h GLU 79 Ca 0.00 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.77 2jxa h GLU 79 Cb 0.03 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 2jxa h GLU 79 CO 0.00 0.19 0.76 1.21 -1.00 0.00 0.00 179.01 180.17 2jxa s ASN 80 N -5.40 6.87 -0.45 1.42 2.47 -1.26 -4.91 114.94 113.68 2jxa s ASN 80 Ca -0.14 0.95 0.04 0.00 0.42 0.00 0.00 52.86 54.13 2jxa s ASN 80 Cb 0.06 -2.52 0.52 0.00 -1.45 0.00 0.00 41.25 37.86 2jxa s ASN 80 CO 0.68 -0.84 1.71 1.33 -3.72 0.00 0.00 177.10 176.25 2jxa n VAL 81 N 5.84 3.04 -3.43 -5.21 0.24 -1.26 -4.73 118.33 112.82 2jxa n VAL 81 Ca 0.10 -2.86 -0.28 0.00 -2.04 0.00 0.00 64.34 59.27 2jxa n VAL 81 Cb 0.47 -0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 31.98 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 -3.50 0.72 -0.15 7.34 -1.52 -0.81 -4.03 119.66 117.71 2jxa s GLN 82 Ca 0.55 -1.70 -0.06 0.00 -1.95 0.00 0.00 55.36 52.20 2jxa s GLN 82 Cb 0.46 -1.36 0.07 0.00 -0.22 0.00 0.00 33.01 31.96 2jxa s GLN 82 CO 0.03 -1.29 0.32 0.00 -0.25 0.00 0.00 175.29 174.10 2jxa s TYR 84 N 2.30 1.28 -0.33 0.00 1.51 -1.26 -2.08 117.35 118.77 2jxa s TYR 84 Ca -0.02 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2jxa s TYR 84 Cb -0.12 -0.69 0.13 0.00 -0.11 0.00 0.00 41.96 41.17 2jxa s TYR 84 CO -0.10 0.09 0.21 -1.17 -1.11 0.00 0.00 175.55 173.47 2jxa s LEU 85 N -2.19 0.59 0.19 -1.29 2.96 -1.21 -4.93 118.68 112.79 2jxa s LEU 85 Ca 0.04 -1.68 -0.13 0.00 -0.22 0.00 0.00 54.13 52.14 2jxa s LEU 85 Cb -0.06 -0.18 0.20 0.00 0.50 0.00 0.00 46.19 46.65 2jxa s LEU 85 CO 0.02 -0.35 1.69 -0.65 -1.32 0.00 0.00 176.35 175.74 2jxa h PRO 86 N 7.60 0.14 -0.16 0.98 0.11 -1.92 -1.80 132.00 136.96 2jxa h PRO 86 Ca -0.05 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.10 2jxa h PRO 86 Cb 1.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2jxa h PRO 86 CO 0.32 0.09 0.20 -0.44 -0.21 0.00 0.00 178.00 177.96 2jxa h ASP 87 N 0.15 0.00 -0.67 -2.05 3.32 -1.96 -1.75 116.42 113.47 2jxa h ASP 87 Ca 0.26 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.49 2jxa h ASP 87 Cb 0.38 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2jxa h ASP 87 CO -0.40 0.00 0.47 0.00 -1.72 0.00 0.00 179.24 177.59 2jxa h ALA 88 N 1.76 2.52 -0.50 3.45 0.00 -1.63 -0.32 119.26 124.54 2jxa h ALA 88 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jxa h ALA 88 Cb 0.47 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jxa h ALA 88 CO -0.00 -0.71 0.10 0.35 0.00 0.00 0.00 179.25 178.99 2jxa h PHE 89 N 0.08 0.86 -0.58 0.00 3.57 -1.40 -2.75 116.94 116.71 2jxa h PHE 89 Ca 0.32 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2jxa h PHE 89 Cb 1.17 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2jxa h PHE 89 CO -0.00 0.78 0.17 1.57 -2.23 0.00 0.00 178.31 178.60 2jxa h LYS 90 N 0.70 0.91 0.00 1.11 2.10 -1.23 -1.56 116.57 118.60 2jxa h LYS 90 Ca 0.15 -0.20 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2jxa h LYS 90 Cb 0.37 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2jxa h LYS 90 CO 0.01 0.83 -0.00 0.82 -2.00 0.00 0.00 179.45 179.10 2jxa h ILE 91 N 0.83 1.00 -0.29 0.07 2.04 -1.40 -1.75 117.51 118.01 2jxa h ILE 91 Ca 0.19 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.95 2jxa h ILE 91 Cb 0.30 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2jxa h ILE 91 CO -0.00 0.00 -0.20 0.24 0.00 0.00 0.00 178.15 178.19 2jxa h MET 92 N -0.01 0.52 -0.42 2.37 2.86 -1.45 -2.46 114.93 116.35 2jxa h MET 92 Ca -0.00 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2jxa h MET 92 Cb 0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2jxa h MET 92 CO 0.00 0.70 0.27 0.77 1.06 0.00 0.00 176.91 179.71 2jxa h SER 93 N 0.47 0.47 -0.10 1.22 0.02 -0.99 0.81 113.55 115.45 2jxa h SER 93 Ca 0.08 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2jxa h SER 93 Cb 0.61 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2jxa h SER 93 CO 0.04 0.34 -0.15 1.56 -1.14 0.00 0.00 176.83 177.48 2jxa h GLN 94 N 0.55 0.46 0.05 3.45 4.20 -1.15 0.58 115.11 123.26 2jxa h GLN 94 Ca 0.15 -0.14 -0.25 0.00 0.06 0.00 0.00 58.65 58.48 2jxa h GLN 94 Cb -0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2jxa h GLN 94 CO -0.04 0.61 -1.17 0.00 -0.67 0.00 0.00 178.83 177.56 2jxa h ARG 95 N 0.43 0.11 0.00 1.46 3.08 -0.95 -3.39 114.38 115.12 2jxa h ARG 95 Ca 0.08 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jxa h ARG 95 Cb 0.52 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2jxa h ARG 95 CO 0.03 1.06 -1.48 0.00 -1.07 0.00 0.00 179.97 178.51 2jxa n ASN 97 N -1.87 3.68 -0.33 0.00 3.02 0.19 -1.55 115.26 118.40 2jxa n ASN 97 Ca -0.02 1.13 -0.04 0.00 -0.03 0.00 0.00 54.58 55.62 2jxa n ASN 97 Cb 0.29 -1.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.88 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 2.52 -5.15 -4.50 6.41 4.13 -0.43 -4.94 115.26 113.30 2jxa n ASN 98 Ca 0.11 0.11 -0.31 0.00 1.68 0.00 0.00 54.58 56.17 2jxa n ASN 98 Cb 0.35 -3.03 -0.12 0.00 -1.54 0.00 0.00 39.78 35.44 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 -2.00 2.12 0.25 3.52 0.52 -0.60 -4.82 118.95 117.94 2jxa s ARG 99 Ca 0.00 -0.97 0.07 0.00 -0.52 0.00 0.00 55.73 54.31 2jxa s ARG 99 Cb 0.00 -2.24 0.29 0.00 0.52 0.00 0.00 34.95 33.51 2jxa s ARG 99 CO 0.00 0.54 1.58 1.15 0.02 0.00 0.00 175.30 178.58 2jxa h THR 100 N 3.78 1.41 -3.35 0.02 2.02 -1.84 0.53 112.91 115.47 2jxa h THR 100 Ca -0.48 -2.05 -0.07 0.00 0.77 0.00 0.00 66.41 64.58 2jxa h THR 100 Cb 1.16 2.07 -0.15 0.00 -1.74 0.00 0.00 68.15 69.49 2jxa h THR 100 CO 0.49 0.60 -0.16 0.00 0.37 0.00 0.00 175.52 176.82 2jxa s GLN 101 N -3.68 0.95 -0.16 6.66 -2.07 -1.26 0.32 119.66 120.41 2jxa s GLN 101 Ca -0.03 -0.62 -0.19 0.00 -1.82 0.00 0.00 55.36 52.69 2jxa s GLN 101 Cb 0.12 0.41 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 2jxa s GLN 101 CO 0.78 -0.34 0.53 0.00 -1.32 0.00 0.00 175.29 174.94 2jxa s VAL 103 N -0.05 2.64 -0.06 0.00 1.01 -1.26 -1.84 120.40 120.85 2jxa s VAL 103 Ca -0.03 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 2jxa s VAL 103 Cb -0.03 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2jxa s VAL 103 CO 0.02 0.55 0.16 -0.69 0.00 0.00 0.00 175.10 175.14 2jxa s VAL 104 N 0.15 0.01 -0.24 2.92 1.01 -0.16 -4.91 120.40 119.17 2jxa s VAL 104 Ca -0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2jxa s VAL 104 Cb -0.16 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2jxa s VAL 104 CO 0.06 -0.03 1.02 -0.69 0.00 0.00 0.00 175.10 175.46 2jxa s VAL 105 N -0.03 4.67 -0.14 2.92 1.01 -1.26 0.13 120.40 127.69 2jxa s VAL 105 Ca -0.01 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2jxa s VAL 105 Cb -0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jxa s VAL 105 CO 0.00 -0.21 0.26 0.00 0.00 0.00 0.00 175.10 175.15 2jxa n ALA 106 N 6.37 1.73 0.00 5.51 0.00 0.14 -4.69 120.51 129.56 2jxa n ALA 106 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2jxa n ALA 106 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 0.79 -0.59 2.53 0.00 0.00 -1.26 -2.53 105.19 104.12 2jxa n GLY 107 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.04 1.61 2.88 -1.26 -4.07 113.62 112.81 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 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.16 0.13 0.21 -3.46 8.00 -1.26 -1.43 116.55 118.90 2jxa n ASP 109 Ca 0.00 0.56 0.13 0.00 0.71 0.00 0.00 54.79 56.18 2jxa n ASP 109 Cb 0.00 -0.58 0.27 0.00 -0.02 0.00 0.00 41.12 40.80 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 2.10 1.00 -3.48 2.24 0.00 -1.88 -3.44 119.26 115.81 2jxa h ALA 110 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2jxa h ALA 110 Cb 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.51 2jxa h ALA 110 CO 0.00 0.00 -0.75 -0.06 0.00 0.00 0.00 179.25 178.44 2jxa s PHE 111 N -3.26 0.42 0.00 0.00 0.08 -0.52 -4.98 117.98 109.72 2jxa s PHE 111 Ca 0.07 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2jxa s PHE 111 Cb 0.06 -0.48 0.00 0.00 -0.57 0.00 0.00 43.02 42.03 2jxa s PHE 111 CO 0.64 -0.15 0.00 -2.30 -0.10 0.00 0.00 175.22 173.31 2jxa n PRO 112 N 4.17 2.57 -3.49 0.24 -0.02 -1.26 -4.48 135.00 132.73 2jxa n PRO 112 Ca -0.25 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.94 2jxa n PRO 112 Cb 0.50 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.86 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 -2.57 2.99 0.05 2.55 -1.08 -1.26 -4.90 116.67 112.45 2jxa s ASP 113 Ca 0.00 -2.29 0.08 0.00 -0.52 0.00 0.00 52.55 49.82 2jxa s ASP 113 Cb 0.00 -0.49 -0.22 0.00 -1.46 0.00 0.00 42.92 40.75 2jxa s ASP 113 CO 0.00 -0.30 1.02 1.55 0.52 0.00 0.00 175.17 177.96 2jxa h PRO 114 N 6.91 0.03 -1.10 4.34 0.13 -1.91 -3.41 132.00 136.99 2jxa h PRO 114 Ca 0.06 -0.05 -0.39 0.00 -0.87 0.00 0.00 66.00 64.75 2jxa h PRO 114 Cb 0.96 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 31.83 2jxa h PRO 114 CO 0.30 0.84 -0.84 0.00 -0.23 0.00 0.00 178.00 178.07 2jxa n PRO 116 N 1.09 2.23 0.00 0.00 -0.04 -1.26 -2.68 135.00 134.35 2jxa n PRO 116 Ca 0.16 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2jxa n PRO 116 Cb 0.61 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2jxa n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jxa n GLY 117 N 2.05 1.78 3.74 0.55 0.00 -1.26 -5.09 105.19 106.96 2jxa n GLY 117 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.34 4.17 -0.74 2.61 2.01 -1.09 -4.59 115.64 115.67 2jxa s THR 118 Ca 0.00 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.63 2jxa s THR 118 Cb 0.00 -3.09 0.07 0.00 0.01 0.00 0.00 72.50 69.50 2jxa s THR 118 CO 0.00 -0.05 1.07 -0.47 -0.69 0.00 0.00 174.62 174.48 2jxa s TYR 119 N -1.63 2.69 0.00 4.92 5.04 0.31 -4.98 117.35 123.70 2jxa s TYR 119 Ca 0.29 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 2jxa s TYR 119 Cb -0.10 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 37.84 2jxa s TYR 119 CO 0.21 -1.70 0.00 1.63 -1.34 0.00 0.00 175.55 174.35 2jxa n LYS 120 N 7.80 0.27 -3.65 4.97 5.02 -1.26 -4.84 118.16 126.47 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 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.41 -0.14 -0.09 2.13 -0.85 0.18 -3.51 117.35 114.67 2jxa s TYR 121 Ca 0.00 -0.05 0.01 0.00 -0.52 0.00 0.00 57.07 56.51 2jxa s TYR 121 Cb 0.00 0.58 0.02 0.00 0.38 0.00 0.00 41.96 42.94 2jxa s TYR 121 CO 0.00 -0.54 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.22 2jxa s LEU 122 N -2.79 1.41 -0.14 -3.49 2.96 -0.89 -1.79 118.68 113.95 2jxa s LEU 122 Ca 0.11 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2jxa s LEU 122 Cb 0.01 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.88 2jxa s LEU 122 CO -0.02 -0.05 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.04 2jxa s GLU 123 N 1.21 3.03 -0.10 1.98 2.12 -0.95 -2.14 118.70 123.84 2jxa s GLU 123 Ca -0.04 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.44 2jxa s GLU 123 Cb -0.14 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.83 2jxa s GLU 123 CO -0.03 -0.01 -0.11 0.08 -0.54 0.00 0.00 175.26 174.66 2jxa s VAL 124 N 0.81 1.17 -0.16 3.70 1.01 -0.70 -1.77 120.40 124.46 2jxa s VAL 124 Ca -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2jxa s VAL 124 Cb -0.16 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 2jxa s VAL 124 CO -0.02 0.38 -0.04 -1.10 0.00 0.00 0.00 175.10 174.32 2jxa s GLN 125 N 1.30 3.62 0.30 2.72 -0.21 0.12 -2.40 119.66 125.12 2jxa s GLN 125 Ca -0.02 -0.54 -0.12 0.00 0.02 0.00 0.00 55.36 54.70 2jxa s GLN 125 Cb -0.14 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 30.97 2jxa s GLN 125 CO -0.04 0.19 0.57 1.52 -2.12 0.00 0.00 175.29 175.40 2jxa s TYR 126 N 0.49 0.44 0.23 0.91 1.13 -0.88 -0.84 117.35 118.83 2jxa s TYR 126 Ca -0.04 -0.84 0.06 0.00 -1.41 0.00 0.00 57.07 54.84 2jxa s TYR 126 Cb -0.14 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2jxa s TYR 126 CO 0.03 -1.18 -0.09 -0.51 -2.51 0.00 0.00 175.55 171.30 2jxa s ASP 127 N -3.08 2.45 -0.22 -0.18 1.01 -0.99 -1.97 116.67 113.70 2jxa s ASP 127 Ca 0.22 -1.11 -0.04 0.00 0.71 0.00 0.00 52.55 52.33 2jxa s ASP 127 Cb -0.02 -0.11 -0.01 0.00 1.01 0.00 0.00 42.92 43.79 2jxa s ASP 127 CO 0.12 -0.30 -0.05 0.00 0.21 0.00 0.00 175.17 175.15 2jxa s VAL 129 N 1.45 1.58 0.39 0.00 -7.23 -0.86 -4.82 120.40 110.91 2jxa s VAL 129 Ca 0.05 -1.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.00 2jxa s VAL 129 Cb -0.14 -1.81 -0.11 0.00 0.56 0.00 0.00 36.38 34.89 2jxa s VAL 129 CO -0.03 -0.47 1.28 -2.65 -0.31 0.00 0.00 175.10 172.92 2jxa n PRO 130 N 0.12 2.02 -0.02 4.82 -0.02 -1.26 0.17 135.00 140.83 2jxa n PRO 130 Ca -0.12 0.71 -0.16 0.00 -2.02 0.00 0.00 63.50 61.91 2jxa n PRO 130 Cb 0.58 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 2jxa n PRO 130 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2jxa h TYR 131 N 2.26 0.48 -5.58 6.00 3.20 -1.69 -3.43 116.97 118.21 2jxa h TYR 131 Ca -0.47 -0.24 -0.36 0.00 3.14 0.00 0.00 58.73 60.80 2jxa h TYR 131 Cb 1.29 -0.06 0.04 0.00 1.54 0.00 0.00 36.73 39.53 2jxa h TYR 131 CO 0.49 1.03 0.00 1.63 -1.64 0.00 0.00 178.16 179.67 2jxa n LYS 132 N -4.35 0.46 -3.27 1.82 5.02 -1.26 -5.06 118.16 111.51 2jxa n LYS 132 Ca -0.09 -2.24 -0.37 0.00 -2.02 0.00 0.00 58.31 53.59 2jxa n LYS 132 Cb 0.57 -0.30 -0.06 0.00 -0.02 0.00 0.00 35.03 35.22 2jxa n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jxa s VAL 133 N -1.93 4.74 0.00 -0.18 0.11 -1.26 -5.16 120.40 116.73 2jxa s VAL 133 Ca 0.48 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 2jxa s VAL 133 Cb -0.03 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 2jxa s VAL 133 CO 0.31 0.38 0.00 -0.62 -3.33 0.00 0.00 175.10 171.84