#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 2.94 0.34 0.99 0.05 -1.26 -4.76 118.68 116.98 2jxa s LEU 30 Ca 0.00 -1.12 -0.28 0.00 0.05 0.00 0.00 54.13 52.78 2jxa s LEU 30 Cb 0.00 -1.22 -0.12 0.00 -2.05 0.00 0.00 46.19 42.80 2jxa s LEU 30 CO 0.00 -0.33 1.28 -2.65 -0.55 0.00 0.00 176.35 174.10 2jxa n PRO 31 N -0.98 2.11 0.00 1.48 -0.02 -1.26 -4.86 135.00 131.47 2jxa n PRO 31 Ca -0.04 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 2jxa n PRO 31 Cb 0.64 -2.32 0.85 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.33 0.00 -2.71 6.00 3.01 -1.26 -4.87 117.46 117.95 2jxa n PHE 32 Ca 0.05 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.44 2jxa n PHE 32 Cb 0.36 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.86 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jxa n GLY 33 N 0.86 0.40 0.00 1.37 0.00 -1.26 -4.88 105.19 101.68 2jxa n GLY 33 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.91 0.00 -1.50 0.99 7.94 -1.26 -5.16 117.00 116.10 2jxa n LEU 34 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2jxa n LEU 34 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2jxa n LEU 34 CO 0.20 0.00 -0.37 0.23 -1.11 0.00 0.00 177.39 176.34 2jxa n MET 35 N 0.00 -3.41 -3.43 1.96 2.81 -1.26 -4.88 117.12 108.91 2jxa n MET 35 Ca 0.00 2.59 -0.34 0.00 -1.81 0.00 0.00 57.70 58.13 2jxa n MET 35 Cb 0.00 -3.19 -0.06 0.00 -0.71 0.00 0.00 33.22 29.27 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 -4.21 3.88 -0.11 0.03 0.52 -0.63 -4.96 118.95 113.49 2jxa s ARG 36 Ca 0.00 0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 55.49 2jxa s ARG 36 Cb 0.00 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.62 2jxa s ARG 36 CO 0.00 0.46 0.27 0.50 0.02 0.00 0.00 175.30 176.55 2jxa s ARG 37 N -2.15 0.28 0.01 3.54 3.52 -1.26 -1.48 118.95 121.42 2jxa s ARG 37 Ca 0.39 0.44 0.05 0.00 -0.13 0.00 0.00 55.73 56.48 2jxa s ARG 37 Cb -0.14 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 2jxa s ARG 37 CO 0.19 -0.08 -0.15 -1.21 -0.81 0.00 0.00 175.30 173.24 2jxa s GLU 38 N 0.55 1.12 -0.01 5.12 0.41 -0.80 -4.99 118.70 120.10 2jxa s GLU 38 Ca -0.03 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 2jxa s GLU 38 Cb -0.05 -1.12 0.01 0.00 -1.78 0.00 0.00 34.13 31.20 2jxa s GLU 38 CO -0.03 0.29 0.01 -1.17 -0.49 0.00 0.00 175.26 173.87 2jxa s LEU 39 N -0.74 1.57 -0.00 1.80 0.20 -1.26 -1.41 118.68 118.84 2jxa s LEU 39 Ca 0.04 0.01 -0.06 0.00 0.69 0.00 0.00 54.13 54.82 2jxa s LEU 39 Cb -0.07 -0.05 0.00 0.00 -0.43 0.00 0.00 46.19 45.64 2jxa s LEU 39 CO 0.00 -0.06 0.12 0.00 -0.29 0.00 0.00 176.35 176.12 2jxa s ALA 40 N 0.50 -0.27 0.20 5.97 0.00 -0.91 -4.98 121.76 122.25 2jxa s ALA 40 Ca -0.04 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2jxa s ALA 40 Cb -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 2jxa s ALA 40 CO -0.01 -0.18 1.30 0.00 0.00 0.00 0.00 175.76 176.87 2jxa n GLU 42 N 2.64 0.37 -0.23 0.00 2.13 -1.09 -2.02 120.64 122.44 2jxa n GLU 42 Ca 0.06 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2jxa n GLU 42 Cb 0.43 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 1.80 0.98 3.46 8.31 0.00 -0.48 -4.87 105.19 114.39 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 -2.65 2.46 0.34 1.61 1.51 -0.85 -4.76 117.35 115.00 2jxa s TYR 44 Ca 0.00 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.49 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 0.39 1.14 -1.25 -1.11 0.00 0.00 175.55 174.72 2jxa s PRO 45 N -2.19 4.37 0.08 -1.71 0.04 -1.26 -0.71 135.00 133.62 2jxa s PRO 45 Ca 0.17 1.83 0.09 0.00 0.04 0.00 0.00 61.00 63.13 2jxa s PRO 45 Cb -0.10 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 2jxa s PRO 45 CO 0.09 -0.04 -0.23 -1.50 0.04 0.00 0.00 177.00 175.36 2jxa s ILE 46 N -1.30 2.46 -0.07 0.56 2.07 0.14 -4.90 121.20 120.16 2jxa s ILE 46 Ca 0.51 -1.46 0.03 0.00 -1.41 0.00 0.00 60.65 58.31 2jxa s ILE 46 Cb -0.31 -2.05 0.01 0.00 0.13 0.00 0.00 42.46 40.24 2jxa s ILE 46 CO 0.40 0.23 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.82 2jxa s GLU 47 N -1.68 1.95 -0.01 3.50 2.12 -1.26 -1.72 118.70 121.60 2jxa s GLU 47 Ca 0.14 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 55.03 2jxa s GLU 47 Cb -0.10 -1.58 -0.03 0.00 0.26 0.00 0.00 34.13 32.68 2jxa s GLU 47 CO 0.05 0.05 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.16 2jxa s LEU 48 N 0.62 2.68 -0.12 2.70 1.43 -0.57 -4.97 118.68 120.44 2jxa s LEU 48 Ca -0.15 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2jxa s LEU 48 Cb -0.16 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2jxa s LEU 48 CO 0.05 0.30 0.31 -0.13 0.23 0.00 0.00 176.35 177.10 2jxa s ARG 49 N -1.07 0.32 -0.11 1.70 0.52 -1.26 -1.55 118.95 117.50 2jxa s ARG 49 Ca 0.13 0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.80 2jxa s ARG 49 Cb -0.11 0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.38 2jxa s ARG 49 CO 0.03 -0.10 0.12 0.00 0.02 0.00 0.00 175.30 175.37 2jxa s PRO 51 N -1.07 2.40 4.01 0.00 0.04 -1.26 -4.67 135.00 134.44 2jxa s PRO 51 Ca 0.15 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.36 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 0.05 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2jxa n GLY 52 N -1.22 2.48 2.02 0.56 0.00 -1.26 -1.91 105.19 105.86 2jxa n GLY 52 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.40 4.74 -4.87 1.61 3.41 -1.26 -4.98 113.62 112.67 2jxa n SER 53 Ca 0.00 -3.27 -0.30 0.00 -0.26 0.00 0.00 58.87 55.04 2jxa n SER 53 Cb 0.00 -0.75 0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 -1.09 5.31 -0.00 4.04 1.01 -0.80 -1.79 116.67 123.35 2jxa s ASP 54 Ca 0.55 1.18 0.06 0.00 0.71 0.00 0.00 52.55 55.06 2jxa s ASP 54 Cb 0.45 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 42.38 2jxa s ASP 54 CO 0.13 -1.44 -0.20 0.68 0.21 0.00 0.00 175.17 174.56 2jxa s VAL 55 N -3.31 1.56 0.31 -1.27 -7.23 0.42 -4.32 120.40 106.55 2jxa s VAL 55 Ca 0.59 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 59.57 2jxa s VAL 55 Cb -0.12 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 2jxa s VAL 55 CO 0.52 0.39 1.32 -0.63 -0.31 0.00 0.00 175.10 176.39 2jxa s ILE 56 N -0.52 2.78 -0.32 -0.62 1.01 0.42 -2.41 121.20 121.53 2jxa s ILE 56 Ca 0.07 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 2jxa s ILE 56 Cb -0.08 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 39.02 2jxa s ILE 56 CO -0.00 0.17 0.12 0.00 0.00 0.00 0.00 174.94 175.23 2jxa s MET 57 N -1.46 0.64 0.09 2.79 0.23 -0.50 -0.15 119.30 120.94 2jxa s MET 57 Ca 0.51 -1.05 -0.31 0.00 -1.03 0.00 0.00 55.69 53.81 2jxa s MET 57 Cb -0.39 -1.79 -0.09 0.00 -1.53 0.00 0.00 34.83 31.02 2jxa s MET 57 CO 0.50 -1.02 1.68 0.08 -2.03 0.00 0.00 175.02 174.23 2jxa s VAL 58 N 1.58 2.87 -0.23 5.16 1.01 -1.26 -2.40 120.40 127.13 2jxa s VAL 58 Ca 0.11 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 2jxa s VAL 58 Cb -0.18 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2jxa s VAL 58 CO -0.24 0.00 -0.26 -0.62 0.00 0.00 0.00 175.10 173.98 2jxa n GLU 59 N 5.41 0.50 -3.75 2.72 1.02 -0.73 -4.95 120.64 120.86 2jxa n GLU 59 Ca 0.16 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2jxa n GLU 59 Cb 0.40 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 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 -6.73 -0.26 -0.13 1.62 0.01 -1.11 -5.05 114.94 103.30 2jxa s ASN 60 Ca -0.31 0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.81 2jxa s ASN 60 Cb 0.11 0.42 0.12 0.00 0.41 0.00 0.00 41.25 42.31 2jxa s ASN 60 CO 0.44 -0.38 0.97 0.00 -1.51 0.00 0.00 177.10 176.62 2jxa s ALA 61 N -0.97 -1.91 0.00 0.60 0.00 -1.26 -0.41 121.76 117.81 2jxa s ALA 61 Ca -0.10 1.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 2jxa s ALA 61 Cb -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2jxa s ALA 61 CO 0.04 -0.38 0.29 1.21 0.00 0.00 0.00 175.76 176.92 2jxa s ASN 62 N -1.36 -0.15 -0.17 0.00 2.47 -0.57 -3.37 114.94 111.79 2jxa s ASN 62 Ca -0.01 -0.02 0.01 0.00 0.42 0.00 0.00 52.86 53.26 2jxa s ASN 62 Cb -0.01 0.32 0.01 0.00 -1.45 0.00 0.00 41.25 40.12 2jxa s ASN 62 CO 0.00 -0.49 -0.17 -0.47 -3.72 0.00 0.00 177.10 172.24 2jxa s TYR 63 N -1.70 2.77 0.00 0.43 5.04 -1.26 -1.94 117.35 120.69 2jxa s TYR 63 Ca -0.11 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.19 2jxa s TYR 63 Cb -0.04 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.37 2jxa s TYR 63 CO 0.02 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.00 2jxa n GLY 64 N 4.34 -0.34 3.44 8.97 0.00 -0.44 -3.39 105.19 117.76 2jxa n GLY 64 Ca -0.20 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.74 0.51 -0.00 1.61 3.52 -0.85 0.27 118.95 122.27 2jxa s ARG 65 Ca 0.00 1.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.84 2jxa s ARG 65 Cb 0.00 0.63 0.01 0.00 -1.56 0.00 0.00 34.95 34.03 2jxa s ARG 65 CO 0.00 -0.31 0.93 0.25 -0.81 0.00 0.00 175.30 175.36 2jxa n THR 66 N 5.43 0.87 -3.70 4.11 -2.24 -1.26 -0.66 114.28 116.83 2jxa n THR 66 Ca -0.09 -0.88 -0.03 0.00 -2.27 0.00 0.00 64.05 60.79 2jxa n THR 66 Cb 0.50 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.45 -0.23 0.00 3.42 -0.08 -1.26 -4.80 116.55 113.14 2jxa n ASP 67 Ca 0.01 -1.35 0.00 0.00 -1.51 0.00 0.00 54.79 51.94 2jxa n ASP 67 Cb 0.31 0.44 0.00 0.00 2.34 0.00 0.00 41.12 44.21 2jxa n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2jxa n ASP 68 N -2.12 0.00 -1.01 1.67 5.68 -1.26 -4.56 116.55 114.95 2jxa n ASP 68 Ca 0.00 -0.95 0.10 0.00 -0.50 0.00 0.00 54.79 53.44 2jxa n ASP 68 Cb 0.11 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.30 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 2.47 -5.19 0.11 5.02 -1.26 -4.87 118.16 114.44 2jxa n LYS 69 Ca 0.00 -2.22 -0.32 0.00 -2.02 0.00 0.00 58.31 53.75 2jxa n LYS 69 Cb 0.24 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.17 2.34 -1.08 -0.18 -1.09 -1.26 -4.72 121.20 114.05 2jxa s ILE 70 Ca 0.35 -1.00 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2jxa s ILE 70 Cb 0.19 -1.85 -0.06 0.00 -1.58 0.00 0.00 42.46 39.17 2jxa s ILE 70 CO 0.26 0.58 0.92 0.00 -1.23 0.00 0.00 174.94 175.48 2jxa n ASP 72 N -3.19 1.74 -1.03 0.00 5.75 -1.26 -4.93 116.55 113.63 2jxa n ASP 72 Ca -0.10 1.13 -0.00 0.00 -0.01 0.00 0.00 54.79 55.80 2jxa n ASP 72 Cb 0.63 -1.03 -0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 4.40 0.01 -1.78 2.12 0.00 -1.26 -5.12 120.51 118.87 2jxa n ALA 73 Ca 0.27 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2jxa n ALA 73 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.03 6.44 0.46 0.00 1.47 -1.26 -4.84 116.67 117.92 2jxa s ASP 74 Ca 0.00 2.94 0.25 0.00 1.18 0.00 0.00 52.55 56.92 2jxa s ASP 74 Cb 0.00 -2.65 1.28 0.00 -0.34 0.00 0.00 42.92 41.21 2jxa s ASP 74 CO 0.00 -0.82 1.82 1.55 0.68 0.00 0.00 175.17 178.41 2jxa h PRO 75 N 3.74 0.22 -0.55 2.11 0.13 -2.00 0.87 132.00 136.52 2jxa h PRO 75 Ca -0.49 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2jxa h PRO 75 Cb 1.23 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2jxa h PRO 75 CO 0.70 0.14 0.15 0.74 -0.23 0.00 0.00 178.00 179.50 2jxa h PHE 76 N 0.23 0.86 -0.31 1.56 -1.00 -1.96 0.24 116.94 116.56 2jxa h PHE 76 Ca 0.53 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 61.23 2jxa h PHE 76 Cb 1.64 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.95 2jxa h PHE 76 CO -0.00 0.71 0.00 1.04 -1.61 0.00 0.00 178.31 178.45 2jxa n GLN 77 N -4.28 1.80 0.00 1.51 6.02 0.27 -3.36 117.38 119.33 2jxa n GLN 77 Ca 0.04 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.80 2jxa n GLN 77 Cb 0.22 -1.30 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 0.48 0.44 0.18 -1.09 2.81 -0.36 0.16 117.12 119.74 2jxa n MET 78 Ca 0.13 -0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 55.57 2jxa n MET 78 Cb 0.30 -0.78 -0.08 0.00 -0.71 0.00 0.00 33.22 31.95 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 -0.39 -6.26 0.03 5.08 -0.59 -3.42 114.58 109.03 2jxa h GLU 79 Ca 0.00 0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.82 2jxa h GLU 79 Cb 0.10 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2jxa h GLU 79 CO 0.00 -0.20 0.91 1.21 -1.00 0.00 0.00 179.01 179.93 2jxa s ASN 80 N -4.90 6.84 -0.30 1.42 2.47 -1.26 -4.88 114.94 114.32 2jxa s ASN 80 Ca -0.15 1.31 0.10 0.00 0.42 0.00 0.00 52.86 54.54 2jxa s ASN 80 Cb 0.04 -2.54 0.57 0.00 -1.45 0.00 0.00 41.25 37.87 2jxa s ASN 80 CO 0.63 -0.92 1.58 1.33 -3.72 0.00 0.00 177.10 176.00 2jxa n VAL 81 N 5.84 2.67 -3.47 -5.21 0.24 -1.26 -4.74 118.33 112.39 2jxa n VAL 81 Ca 0.14 -2.32 -0.28 0.00 -2.04 0.00 0.00 64.34 59.84 2jxa n VAL 81 Cb 0.46 -0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 32.38 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 -3.15 0.82 -0.14 7.34 -1.52 -0.95 -4.02 119.66 118.03 2jxa s GLN 82 Ca 0.48 -1.76 -0.05 0.00 -1.95 0.00 0.00 55.36 52.08 2jxa s GLN 82 Cb 0.41 -1.51 0.07 0.00 -0.22 0.00 0.00 33.01 31.76 2jxa s GLN 82 CO 0.05 -1.28 0.27 0.00 -0.25 0.00 0.00 175.29 174.08 2jxa s TYR 84 N 2.42 1.37 -0.37 0.00 1.51 -1.26 -2.01 117.35 119.02 2jxa s TYR 84 Ca 0.02 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2jxa s TYR 84 Cb -0.12 -0.71 0.15 0.00 -0.11 0.00 0.00 41.96 41.17 2jxa s TYR 84 CO -0.09 0.14 0.37 -1.17 -1.11 0.00 0.00 175.55 173.68 2jxa s LEU 85 N -2.54 -0.02 0.27 -1.29 2.96 -1.22 -4.94 118.68 111.90 2jxa s LEU 85 Ca 0.10 -1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 52.41 2jxa s LEU 85 Cb -0.04 0.52 0.59 0.00 0.50 0.00 0.00 46.19 47.76 2jxa s LEU 85 CO 0.03 -0.26 1.69 -0.65 -1.32 0.00 0.00 176.35 175.83 2jxa h PRO 86 N 7.09 0.33 -0.36 0.98 0.11 -1.92 -0.72 132.00 137.52 2jxa h PRO 86 Ca 0.04 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.24 2jxa h PRO 86 Cb 1.05 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2jxa h PRO 86 CO 0.21 0.22 0.32 -0.44 -0.21 0.00 0.00 178.00 178.09 2jxa h ASP 87 N 0.34 0.00 -0.90 -2.05 3.32 -1.96 -1.38 116.42 113.79 2jxa h ASP 87 Ca 0.49 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.76 2jxa h ASP 87 Cb 0.88 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 2jxa h ASP 87 CO -0.52 0.00 0.61 0.00 -1.72 0.00 0.00 179.24 177.60 2jxa h ALA 88 N 1.70 2.40 -0.47 3.45 0.00 -1.42 0.12 119.26 125.04 2jxa h ALA 88 Ca 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2jxa h ALA 88 Cb 0.80 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2jxa h ALA 88 CO -0.00 -0.68 0.05 0.35 0.00 0.00 0.00 179.25 178.97 2jxa h PHE 89 N 0.27 0.86 -0.60 0.00 3.57 -1.25 -2.63 116.94 117.17 2jxa h PHE 89 Ca 0.46 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 2jxa h PHE 89 Cb 1.34 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2jxa h PHE 89 CO -0.00 0.81 0.16 1.57 -2.23 0.00 0.00 178.31 178.62 2jxa h LYS 90 N 0.67 0.95 -0.06 1.11 2.10 -0.91 0.65 116.57 121.07 2jxa h LYS 90 Ca 0.14 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2jxa h LYS 90 Cb 0.43 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2jxa h LYS 90 CO 0.01 0.86 0.03 0.82 -2.00 0.00 0.00 179.45 179.17 2jxa h ILE 91 N 0.86 1.00 -0.27 0.07 2.04 -1.34 -1.28 117.51 118.59 2jxa h ILE 91 Ca 0.19 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.92 2jxa h ILE 91 Cb 0.33 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jxa h ILE 91 CO -0.00 0.01 -0.30 0.24 0.00 0.00 0.00 178.15 178.10 2jxa h MET 92 N 0.06 0.55 -0.45 2.37 2.86 -1.35 -2.43 114.93 116.53 2jxa h MET 92 Ca 0.03 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2jxa h MET 92 Cb 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2jxa h MET 92 CO -0.02 0.79 0.29 0.77 1.06 0.00 0.00 176.91 179.80 2jxa h SER 93 N 0.47 0.49 -0.16 1.22 0.02 -0.54 0.99 113.55 116.04 2jxa h SER 93 Ca 0.06 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2jxa h SER 93 Cb 0.76 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2jxa h SER 93 CO 0.06 0.35 -0.16 1.56 -1.14 0.00 0.00 176.83 177.50 2jxa h GLN 94 N 0.59 0.56 0.07 3.45 4.20 -1.11 -1.09 115.11 121.78 2jxa h GLN 94 Ca 0.17 -0.18 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 2jxa h GLN 94 Cb -0.04 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2jxa h GLN 94 CO -0.05 0.70 -1.14 0.00 -0.67 0.00 0.00 178.83 177.67 2jxa h ARG 95 N 0.51 0.16 0.00 1.46 3.08 -0.92 -3.39 114.38 115.27 2jxa h ARG 95 Ca 0.09 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2jxa h ARG 95 Cb 0.57 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2jxa h ARG 95 CO 0.04 1.13 -0.99 0.00 -1.07 0.00 0.00 179.97 179.08 2jxa s ASN 97 N -2.51 6.38 -0.44 0.00 0.01 -0.41 -1.94 114.94 116.02 2jxa s ASN 97 Ca -0.01 2.93 0.00 0.00 -0.71 0.00 0.00 52.86 55.07 2jxa s ASN 97 Cb 0.06 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2jxa s ASN 97 CO 0.36 -0.92 0.00 0.59 -1.51 0.00 0.00 177.10 175.62 2jxa n ASN 98 N 2.46 -5.15 -4.54 -1.22 4.13 0.79 -4.93 115.26 106.80 2jxa n ASN 98 Ca 0.09 0.10 -0.31 0.00 1.68 0.00 0.00 54.58 56.14 2jxa n ASN 98 Cb 0.37 -3.02 -0.11 0.00 -1.54 0.00 0.00 39.78 35.48 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 2.31 0.29 3.52 0.52 -0.82 -4.75 118.95 118.05 2jxa s ARG 99 Ca 0.00 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 54.43 2jxa s ARG 99 Cb 0.00 -2.36 0.45 0.00 0.52 0.00 0.00 34.95 33.56 2jxa s ARG 99 CO 0.00 0.56 1.68 1.15 0.02 0.00 0.00 175.30 178.71 2jxa h THR 100 N 3.72 1.36 -3.31 0.02 2.02 -1.86 1.21 112.91 116.07 2jxa h THR 100 Ca -0.48 -1.75 -0.06 0.00 0.77 0.00 0.00 66.41 64.89 2jxa h THR 100 Cb 1.16 1.90 -0.14 0.00 -1.74 0.00 0.00 68.15 69.33 2jxa h THR 100 CO 0.51 0.51 -0.10 0.00 0.37 0.00 0.00 175.52 176.81 2jxa s GLN 101 N -3.91 1.01 -0.15 6.66 -2.07 -1.26 0.35 119.66 120.29 2jxa s GLN 101 Ca -0.03 -0.62 -0.22 0.00 -1.82 0.00 0.00 55.36 52.67 2jxa s GLN 101 Cb 0.13 0.44 0.06 0.00 -1.09 0.00 0.00 33.01 32.55 2jxa s GLN 101 CO 0.76 -0.38 0.57 0.00 -1.32 0.00 0.00 175.29 174.92 2jxa s VAL 103 N -0.26 1.82 -0.00 0.00 1.01 -1.26 -1.52 120.40 120.19 2jxa s VAL 103 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2jxa s VAL 103 Cb -0.03 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2jxa s VAL 103 CO 0.03 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 2jxa s VAL 104 N 0.65 0.06 -0.23 2.92 1.01 -0.70 -4.94 120.40 119.18 2jxa s VAL 104 Ca -0.12 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2jxa s VAL 104 Cb -0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 2jxa s VAL 104 CO 0.03 -0.28 0.80 -0.69 0.00 0.00 0.00 175.10 174.96 2jxa s VAL 105 N -0.88 4.87 -0.12 2.92 1.01 -1.26 0.26 120.40 127.19 2jxa s VAL 105 Ca -0.10 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2jxa s VAL 105 Cb -0.06 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2jxa s VAL 105 CO 0.00 -0.04 0.44 0.00 0.00 0.00 0.00 175.10 175.51 2jxa n ALA 106 N 5.79 1.94 -4.00 5.51 0.00 0.12 -4.68 120.51 125.19 2jxa n ALA 106 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2jxa n ALA 106 Cb 0.48 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.94 2jxa n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jxa s GLY 107 N 0.82 -0.25 0.00 0.00 0.00 -1.26 -1.39 107.32 105.25 2jxa s GLY 107 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2jxa s GLY 107 CO 0.00 6.50 0.00 -1.26 0.00 0.00 0.00 173.10 178.34 2jxa n SER 108 N -0.95 0.00 0.02 1.64 2.88 -1.26 -3.89 113.62 112.05 2jxa n SER 108 Ca 0.05 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.63 2jxa n SER 108 Cb 0.59 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.06 0.08 0.11 -3.46 8.00 -1.26 -1.76 116.55 118.31 2jxa n ASP 109 Ca 0.00 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.16 2jxa n ASP 109 Cb 0.00 -0.54 0.40 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.54 2.26 -3.67 2.24 0.00 -1.25 -4.76 120.51 113.79 2jxa n ALA 110 Ca 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 2jxa n ALA 110 Cb 0.07 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.90 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 -3.11 -0.02 0.00 0.00 0.08 -0.72 -4.94 117.98 109.26 2jxa s PHE 111 Ca 0.10 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.36 2jxa s PHE 111 Cb 0.12 -0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.39 2jxa s PHE 111 CO 0.59 -0.10 0.00 -2.30 -0.10 0.00 0.00 175.22 173.31 2jxa n PRO 112 N 4.07 1.57 -3.52 0.24 -0.02 -1.26 -4.53 135.00 131.55 2jxa n PRO 112 Ca -0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 2jxa n PRO 112 Cb 0.51 0.00 -0.13 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 -2.27 3.18 -0.12 2.55 -1.08 -1.26 -4.93 116.67 112.73 2jxa s ASP 113 Ca 0.00 -2.12 -0.16 0.00 -0.52 0.00 0.00 52.55 49.75 2jxa s ASP 113 Cb 0.00 -0.50 -0.26 0.00 -1.46 0.00 0.00 42.92 40.70 2jxa s ASP 113 CO 0.00 -0.32 0.51 1.55 0.52 0.00 0.00 175.17 177.43 2jxa h PRO 114 N 7.19 0.21 -2.51 4.34 0.13 -1.93 -3.43 132.00 135.99 2jxa h PRO 114 Ca 0.01 -0.36 -0.60 0.00 -0.87 0.00 0.00 66.00 64.19 2jxa h PRO 114 Cb 0.97 0.13 -0.39 0.00 0.13 0.00 0.00 31.00 31.84 2jxa h PRO 114 CO 0.32 1.17 -0.88 0.00 -0.23 0.00 0.00 178.00 178.38 2jxa s PRO 116 N -0.40 4.13 0.00 0.00 0.04 -1.26 -3.22 135.00 134.29 2jxa s PRO 116 Ca 0.31 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2jxa s PRO 116 Cb 0.03 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2jxa s PRO 116 CO -0.19 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2jxa n GLY 117 N 0.59 0.47 3.51 0.56 0.00 -1.26 -5.08 105.19 103.99 2jxa n GLY 117 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.13 3.05 -0.76 2.61 2.01 -1.20 -4.40 115.64 114.82 2jxa s THR 118 Ca 0.00 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.52 2jxa s THR 118 Cb 0.00 -2.36 0.08 0.00 0.01 0.00 0.00 72.50 70.23 2jxa s THR 118 CO 0.00 0.21 1.07 -0.47 -0.69 0.00 0.00 174.62 174.74 2jxa s TYR 119 N -1.07 2.72 0.00 4.92 5.04 0.43 -4.98 117.35 124.41 2jxa s TYR 119 Ca 0.18 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2jxa s TYR 119 Cb -0.11 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 37.85 2jxa s TYR 119 CO 0.09 -1.68 0.00 1.63 -1.34 0.00 0.00 175.55 174.25 2jxa n LYS 120 N 7.71 0.45 -3.74 4.97 5.02 -1.26 -4.83 118.16 126.48 2jxa n LYS 120 Ca 0.06 0.00 -0.04 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 -0.42 -0.15 -0.08 2.13 -0.85 0.14 -2.69 117.35 115.44 2jxa s TYR 121 Ca 0.00 -0.16 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 2jxa s TYR 121 Cb 0.00 0.64 0.02 0.00 0.38 0.00 0.00 41.96 43.00 2jxa s TYR 121 CO 0.00 -0.83 -0.08 -1.17 -1.52 0.00 0.00 175.55 171.95 2jxa s LEU 122 N -2.91 1.31 -0.11 -3.49 2.96 -0.74 -1.33 118.68 114.36 2jxa s LEU 122 Ca 0.12 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2jxa s LEU 122 Cb -0.02 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 2jxa s LEU 122 CO 0.02 -0.06 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.07 2jxa s GLU 123 N 1.22 3.11 -0.08 1.98 2.12 -0.82 -2.14 118.70 124.09 2jxa s GLU 123 Ca -0.05 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.45 2jxa s GLU 123 Cb -0.14 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.88 2jxa s GLU 123 CO -0.02 0.15 -0.05 0.08 -0.54 0.00 0.00 175.26 174.87 2jxa s VAL 124 N 0.43 0.77 -0.16 3.70 1.01 -0.50 -1.51 120.40 124.14 2jxa s VAL 124 Ca -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2jxa s VAL 124 Cb -0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2jxa s VAL 124 CO 0.06 0.31 -0.06 -1.10 0.00 0.00 0.00 175.10 174.32 2jxa s GLN 125 N 1.51 3.59 0.16 2.72 -0.21 0.45 -1.91 119.66 125.96 2jxa s GLN 125 Ca -0.00 -0.56 -0.13 0.00 0.02 0.00 0.00 55.36 54.68 2jxa s GLN 125 Cb -0.13 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 31.02 2jxa s GLN 125 CO -0.04 0.19 0.37 1.52 -2.12 0.00 0.00 175.29 175.21 2jxa s TYR 126 N 0.47 0.09 0.24 0.91 1.13 -0.55 -1.78 117.35 117.87 2jxa s TYR 126 Ca -0.05 -0.45 0.10 0.00 -1.41 0.00 0.00 57.07 55.26 2jxa s TYR 126 Cb -0.15 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2jxa s TYR 126 CO 0.03 -0.76 -0.10 -0.51 -2.51 0.00 0.00 175.55 171.70 2jxa s ASP 127 N -2.90 4.12 -0.19 -0.18 1.01 -1.01 -1.60 116.67 115.93 2jxa s ASP 127 Ca 0.11 -0.75 -0.04 0.00 0.71 0.00 0.00 52.55 52.57 2jxa s ASP 127 Cb 0.02 -0.62 -0.02 0.00 1.01 0.00 0.00 42.92 43.31 2jxa s ASP 127 CO -0.04 0.05 -0.03 0.00 0.21 0.00 0.00 175.17 175.36 2jxa s VAL 129 N 0.87 1.04 0.49 0.00 -7.23 -1.01 -4.85 120.40 109.71 2jxa s VAL 129 Ca -0.00 -1.26 -0.22 0.00 -1.81 0.00 0.00 61.98 58.69 2jxa s VAL 129 Cb -0.14 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 2jxa s VAL 129 CO 0.02 -0.23 0.97 -2.65 -0.31 0.00 0.00 175.10 172.89 2jxa n PRO 130 N 1.35 1.16 -0.35 4.82 -0.02 -1.26 0.16 135.00 140.85 2jxa n PRO 130 Ca -0.21 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2jxa n PRO 130 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.99 0.01 -3.42 6.00 4.19 -0.74 -4.63 117.16 117.58 2jxa n TYR 131 Ca 0.11 -0.86 -0.43 0.00 3.31 0.00 0.00 57.90 60.03 2jxa n TYR 131 Cb 0.43 -0.43 -0.09 0.00 0.49 0.00 0.00 39.34 39.73 2jxa n TYR 131 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 2jxa s LYS 132 N -0.01 3.00 -0.18 2.98 2.20 -1.26 -5.06 119.74 121.41 2jxa s LYS 132 Ca 0.00 -1.00 -0.12 0.00 -0.36 0.00 0.00 55.97 54.49 2jxa s LYS 132 Cb 0.00 -3.99 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 2jxa s LYS 132 CO 0.00 -0.81 0.23 0.08 -0.36 0.00 0.00 175.35 174.49 2jxa s VAL 133 N 1.78 5.35 0.00 4.02 1.01 -1.26 -5.22 120.40 126.08 2jxa s VAL 133 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2jxa s VAL 133 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2jxa s VAL 133 CO 0.10 0.41 0.00 -0.62 0.00 0.00 0.00 175.10 174.99