#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 4.09 -0.26 0.99 2.34 -1.26 -4.96 118.68 119.62 2jxa s LEU 30 Ca 0.00 1.35 -0.38 0.00 0.06 0.00 0.00 54.13 55.16 2jxa s LEU 30 Cb 0.00 -4.06 -0.14 0.00 -0.56 0.00 0.00 46.19 41.43 2jxa s LEU 30 CO 0.00 -0.19 1.89 -0.81 -1.06 0.00 0.00 176.35 176.19 2jxa n PRO 31 N -0.23 1.32 0.00 1.48 -0.04 -1.26 -4.81 135.00 131.46 2jxa n PRO 31 Ca 0.03 0.46 0.15 0.00 -0.04 0.00 0.00 63.50 64.10 2jxa n PRO 31 Cb 0.53 -2.29 0.81 0.00 -0.04 0.00 0.00 33.50 32.51 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 6.79 0.00 -2.02 0.54 7.35 -1.26 -4.88 117.46 123.98 2jxa n PHE 32 Ca 0.30 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.94 2jxa n PHE 32 Cb 0.18 -0.21 -0.00 0.00 0.35 0.00 0.00 39.48 39.80 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 1.21 0.21 2.78 7.13 0.00 -1.26 -4.98 105.19 110.27 2jxa n GLY 33 Ca 0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.46 -1.40 0.39 0.99 1.98 -1.26 -5.13 118.68 112.79 2jxa s LEU 34 Ca 0.00 -1.72 0.00 0.00 -2.89 0.00 0.00 54.13 49.52 2jxa s LEU 34 Cb 0.00 1.86 0.00 0.00 0.66 0.00 0.00 46.19 48.71 2jxa s LEU 34 CO 0.00 -0.06 0.00 0.80 -1.89 0.00 0.00 176.35 175.20 2jxa n MET 35 N 3.01 -2.53 -3.23 1.98 0.00 -1.26 -4.80 117.12 110.29 2jxa n MET 35 Ca 0.18 1.99 -0.39 0.00 0.00 0.00 0.00 57.70 59.48 2jxa n MET 35 Cb 0.56 -2.76 -0.06 0.00 0.00 0.00 0.00 33.22 30.96 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 -4.83 4.28 -0.15 2.12 1.81 0.59 -4.76 118.95 118.01 2jxa s ARG 36 Ca 0.00 0.72 -0.09 0.00 -1.72 0.00 0.00 55.73 54.64 2jxa s ARG 36 Cb 0.00 -3.32 0.05 0.00 -0.45 0.00 0.00 34.95 31.23 2jxa s ARG 36 CO 0.00 0.43 0.36 0.50 -0.68 0.00 0.00 175.30 175.91 2jxa s ARG 37 N -0.39 0.35 0.03 3.54 3.52 -1.26 -0.53 118.95 124.20 2jxa s ARG 37 Ca 0.30 0.67 0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2jxa s ARG 37 Cb -0.18 -0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 2jxa s ARG 37 CO 0.17 -0.14 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.18 2jxa s GLU 38 N 1.15 0.88 -0.01 5.12 0.41 -0.92 -5.02 118.70 120.32 2jxa s GLU 38 Ca -0.08 -0.70 0.01 0.00 -0.41 0.00 0.00 54.97 53.79 2jxa s GLU 38 Cb -0.08 -0.87 0.00 0.00 -1.78 0.00 0.00 34.13 31.41 2jxa s GLU 38 CO -0.09 0.22 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.70 2jxa s LEU 39 N -1.05 1.80 -0.00 1.80 0.20 -1.26 -1.67 118.68 118.50 2jxa s LEU 39 Ca 0.01 -0.05 -0.02 0.00 0.69 0.00 0.00 54.13 54.76 2jxa s LEU 39 Cb -0.07 -0.18 -0.00 0.00 -0.43 0.00 0.00 46.19 45.50 2jxa s LEU 39 CO 0.01 0.00 0.04 0.00 -0.29 0.00 0.00 176.35 176.12 2jxa s ALA 40 N 0.19 -0.08 0.15 5.97 0.00 -0.81 -4.97 121.76 122.21 2jxa s ALA 40 Ca -0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 2jxa s ALA 40 Cb -0.04 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 2jxa s ALA 40 CO -0.00 -0.11 1.41 0.00 0.00 0.00 0.00 175.76 177.06 2jxa n GLU 42 N 3.54 0.42 -0.46 0.00 2.13 -1.13 -1.94 120.64 123.19 2jxa n GLU 42 Ca 0.10 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2jxa n GLU 42 Cb 0.41 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 1.77 0.95 3.67 8.31 0.00 -0.36 -4.88 105.19 114.65 2jxa n GLY 43 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.02 2.80 0.24 1.61 1.51 -0.82 -4.73 117.35 114.94 2jxa s TYR 44 Ca 0.00 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 2jxa s TYR 44 Cb 0.00 -1.28 -0.09 0.00 -0.11 0.00 0.00 41.96 40.47 2jxa s TYR 44 CO 0.00 0.57 0.94 -1.25 -1.11 0.00 0.00 175.55 174.70 2jxa s PRO 45 N -3.42 4.85 0.08 -1.71 0.04 -1.26 0.12 135.00 133.69 2jxa s PRO 45 Ca 0.30 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.91 2jxa s PRO 45 Cb -0.08 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2jxa s PRO 45 CO 0.20 0.51 -0.21 -1.50 0.04 0.00 0.00 177.00 176.04 2jxa s ILE 46 N -1.19 2.59 -0.08 0.56 2.07 0.22 -4.88 121.20 120.48 2jxa s ILE 46 Ca 0.41 -1.42 0.02 0.00 -1.41 0.00 0.00 60.65 58.26 2jxa s ILE 46 Cb -0.26 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.23 2jxa s ILE 46 CO 0.32 0.23 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.73 2jxa s GLU 47 N -1.71 2.04 -0.02 3.50 2.12 -1.26 -2.10 118.70 121.27 2jxa s GLU 47 Ca 0.15 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 55.01 2jxa s GLU 47 Cb -0.10 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.59 2jxa s GLU 47 CO 0.06 0.02 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.13 2jxa s LEU 48 N 0.72 2.62 -0.12 2.70 1.43 -0.28 -4.97 118.68 120.79 2jxa s LEU 48 Ca -0.13 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2jxa s LEU 48 Cb -0.16 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.58 2jxa s LEU 48 CO 0.03 0.31 0.29 -0.13 0.23 0.00 0.00 176.35 177.08 2jxa s ARG 49 N -0.94 0.27 -0.13 1.70 0.52 -1.26 -1.09 118.95 118.03 2jxa s ARG 49 Ca 0.12 0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 55.80 2jxa s ARG 49 Cb -0.10 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 2jxa s ARG 49 CO 0.02 -0.13 0.15 0.00 0.02 0.00 0.00 175.30 175.36 2jxa s PRO 51 N -0.87 2.26 4.41 0.00 0.04 -1.26 -4.67 135.00 134.91 2jxa s PRO 51 Ca 0.15 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.22 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 0.04 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.89 2jxa n GLY 52 N -1.45 2.78 1.50 0.56 0.00 -1.26 -1.72 105.19 105.60 2jxa n GLY 52 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 1.66 3.51 -4.90 1.61 3.41 -1.26 -5.00 113.62 112.65 2jxa n SER 53 Ca 0.00 -3.48 -0.29 0.00 -0.26 0.00 0.00 58.87 54.84 2jxa n SER 53 Cb 0.00 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.86 5.09 0.07 4.04 1.01 -0.70 -1.63 116.67 122.70 2jxa s ASP 54 Ca 0.49 0.93 0.07 0.00 0.71 0.00 0.00 52.55 54.74 2jxa s ASP 54 Cb 0.42 -1.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.69 2jxa s ASP 54 CO 0.07 -1.53 -0.18 0.68 0.21 0.00 0.00 175.17 174.42 2jxa s VAL 55 N -3.40 1.41 0.21 -1.27 -7.23 0.24 -4.38 120.40 105.99 2jxa s VAL 55 Ca 0.59 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 2jxa s VAL 55 Cb -0.11 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 2jxa s VAL 55 CO 0.50 -0.07 1.31 -0.63 -0.31 0.00 0.00 175.10 175.90 2jxa s ILE 56 N -1.10 3.15 -0.32 -0.62 1.01 0.40 -2.34 121.20 121.38 2jxa s ILE 56 Ca 0.03 0.96 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 2jxa s ILE 56 Cb -0.09 -3.62 0.11 0.00 0.01 0.00 0.00 42.46 38.87 2jxa s ILE 56 CO 0.03 0.15 0.13 0.00 0.00 0.00 0.00 174.94 175.25 2jxa s MET 57 N -0.25 0.59 0.12 2.79 0.23 -0.65 -0.91 119.30 121.20 2jxa s MET 57 Ca 0.56 -1.00 -0.31 0.00 -1.03 0.00 0.00 55.69 53.91 2jxa s MET 57 Cb -0.37 -1.71 -0.09 0.00 -1.53 0.00 0.00 34.83 31.13 2jxa s MET 57 CO 0.39 -1.03 1.60 0.08 -2.03 0.00 0.00 175.02 174.03 2jxa s VAL 58 N 1.62 2.86 -0.24 5.16 1.01 -1.26 -2.38 120.40 127.17 2jxa s VAL 58 Ca 0.11 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 2jxa s VAL 58 Cb -0.18 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 2jxa s VAL 58 CO -0.25 0.02 -0.29 -0.62 0.00 0.00 0.00 175.10 173.96 2jxa n GLU 59 N 4.76 0.52 -3.71 2.72 1.02 -0.07 -4.95 120.64 120.93 2jxa n GLU 59 Ca 0.15 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 2jxa n GLU 59 Cb 0.40 -1.37 -0.08 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 -7.00 -0.27 -0.09 1.62 0.01 -1.06 -5.03 114.94 103.11 2jxa s ASN 60 Ca -0.33 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.68 2jxa s ASN 60 Cb 0.12 0.37 0.12 0.00 0.41 0.00 0.00 41.25 42.26 2jxa s ASN 60 CO 0.44 -0.51 0.95 0.00 -1.51 0.00 0.00 177.10 176.46 2jxa s ALA 61 N -1.54 -1.89 -0.05 0.60 0.00 -1.26 -0.30 121.76 117.32 2jxa s ALA 61 Ca -0.11 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 2jxa s ALA 61 Cb -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2jxa s ALA 61 CO 0.04 -0.49 0.32 1.21 0.00 0.00 0.00 175.76 176.84 2jxa s ASN 62 N -1.75 -0.25 -0.19 0.00 2.47 -0.63 -3.28 114.94 111.32 2jxa s ASN 62 Ca 0.01 0.30 -0.02 0.00 0.42 0.00 0.00 52.86 53.58 2jxa s ASN 62 Cb -0.01 0.45 -0.00 0.00 -1.45 0.00 0.00 41.25 40.24 2jxa s ASN 62 CO -0.03 -0.33 -0.11 -0.47 -3.72 0.00 0.00 177.10 172.45 2jxa s TYR 63 N -0.78 2.87 0.00 0.43 5.04 -1.26 -1.98 117.35 121.68 2jxa s TYR 63 Ca -0.09 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.49 2jxa s TYR 63 Cb -0.04 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.28 2jxa s TYR 63 CO 0.03 -0.54 0.00 0.41 -1.34 0.00 0.00 175.55 174.11 2jxa n GLY 64 N 4.43 -0.32 3.31 8.97 0.00 -0.75 -2.85 105.19 117.98 2jxa n GLY 64 Ca -0.19 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.96 0.44 0.00 1.61 3.52 -0.86 0.23 118.95 121.93 2jxa s ARG 65 Ca 0.00 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 2jxa s ARG 65 Cb 0.00 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 2jxa s ARG 65 CO 0.00 -0.35 0.84 0.25 -0.81 0.00 0.00 175.30 175.24 2jxa n THR 66 N 5.41 0.71 -3.75 4.11 -2.24 -1.26 -1.17 114.28 116.10 2jxa n THR 66 Ca -0.08 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.83 2jxa n THR 66 Cb 0.50 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.71 -0.08 0.00 3.42 2.15 -1.26 -4.76 116.67 115.43 2jxa s ASP 67 Ca 0.00 -0.39 0.05 0.00 0.43 0.00 0.00 52.55 52.64 2jxa s ASP 67 Cb 0.00 0.39 0.11 0.00 -0.30 0.00 0.00 42.92 43.12 2jxa s ASP 67 CO 0.00 -0.74 0.94 -0.90 -0.17 0.00 0.00 175.17 174.30 2jxa n ASP 68 N 0.08 2.04 -0.83 -0.34 5.68 -1.26 -4.52 116.55 117.40 2jxa n ASP 68 Ca -0.16 -1.68 0.08 0.00 -0.50 0.00 0.00 54.79 52.53 2jxa n ASP 68 Cb 0.62 -0.07 0.16 0.00 -1.14 0.00 0.00 41.12 40.70 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 0.13 2.22 -4.89 0.11 5.02 -1.26 -4.89 118.16 114.60 2jxa n LYS 69 Ca 0.05 -1.99 -0.33 0.00 -2.02 0.00 0.00 58.31 54.02 2jxa n LYS 69 Cb 0.25 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.14 3.05 -1.02 -0.18 -1.09 -1.26 -4.68 121.20 114.88 2jxa s ILE 70 Ca 0.28 -0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 57.89 2jxa s ILE 70 Cb 0.16 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 2jxa s ILE 70 CO 0.22 0.59 0.85 0.00 -1.23 0.00 0.00 174.94 175.37 2jxa n ASP 72 N -2.88 2.06 -0.32 0.00 5.75 -1.26 -4.92 116.55 114.99 2jxa n ASP 72 Ca -0.07 1.02 0.00 0.00 -0.01 0.00 0.00 54.79 55.73 2jxa n ASP 72 Cb 0.60 -1.09 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 5.65 0.00 -1.76 2.12 0.00 -1.26 -5.12 120.51 120.14 2jxa n ALA 73 Ca 0.30 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 2jxa n ALA 73 Cb 0.09 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 0.47 5.79 0.35 0.00 -4.77 -1.26 -4.83 116.67 112.41 2jxa s ASP 74 Ca 0.00 2.64 0.11 0.00 -3.30 0.00 0.00 52.55 52.00 2jxa s ASP 74 Cb 0.00 -2.63 0.89 0.00 -1.09 0.00 0.00 42.92 40.09 2jxa s ASP 74 CO 0.00 -1.21 1.79 1.55 0.70 0.00 0.00 175.17 178.00 2jxa h PRO 75 N 1.96 0.59 -0.39 2.11 0.13 -2.00 0.07 132.00 134.46 2jxa h PRO 75 Ca -0.50 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2jxa h PRO 75 Cb 1.27 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2jxa h PRO 75 CO 0.60 0.39 -0.03 0.74 -0.23 0.00 0.00 178.00 179.46 2jxa h PHE 76 N 0.61 0.68 -0.00 1.56 0.04 -1.97 -0.76 116.94 117.10 2jxa h PHE 76 Ca 0.57 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.25 2jxa h PHE 76 Cb 1.10 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.06 2jxa h PHE 76 CO -0.00 0.67 -0.14 1.04 -0.60 0.00 0.00 178.31 179.28 2jxa n GLN 77 N -4.23 0.30 -1.83 1.51 6.02 -0.10 -3.13 117.38 115.91 2jxa n GLN 77 Ca 0.02 -0.08 -0.28 0.00 -0.01 0.00 0.00 57.00 56.65 2jxa n GLN 77 Cb 0.29 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.28 3.32 -0.08 -1.09 2.81 -0.33 -2.23 117.12 118.24 2jxa n MET 78 Ca 0.10 -3.91 -0.08 0.00 -1.81 0.00 0.00 57.70 52.00 2jxa n MET 78 Cb 0.31 -2.28 -0.03 0.00 -0.71 0.00 0.00 33.22 30.51 2jxa n MET 78 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jxa n GLU 79 N -0.76 0.48 -2.57 0.03 1.02 -0.97 -4.82 120.64 113.06 2jxa n GLU 79 Ca 0.50 0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 2jxa n GLU 79 Cb 0.85 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.90 2jxa n GLU 79 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jxa s ASN 80 N -5.94 7.02 -0.29 1.62 2.47 -1.26 -4.91 114.94 113.65 2jxa s ASN 80 Ca -0.27 1.45 0.10 0.00 0.42 0.00 0.00 52.86 54.56 2jxa s ASN 80 Cb 0.04 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.84 2jxa s ASN 80 CO 0.39 -0.73 1.54 1.33 -3.72 0.00 0.00 177.10 175.90 2jxa n VAL 81 N 5.42 2.61 -3.36 -5.21 0.24 -1.26 -4.71 118.33 112.06 2jxa n VAL 81 Ca 0.13 -2.41 -0.25 0.00 -2.04 0.00 0.00 64.34 59.77 2jxa n VAL 81 Cb 0.46 -0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 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 -3.16 0.82 -0.13 7.34 -1.52 -0.90 -4.03 119.66 118.08 2jxa s GLN 82 Ca 0.46 -1.78 -0.05 0.00 -1.95 0.00 0.00 55.36 52.04 2jxa s GLN 82 Cb 0.41 -1.24 0.07 0.00 -0.22 0.00 0.00 33.01 32.02 2jxa s GLN 82 CO 0.04 -1.33 0.25 0.00 -0.25 0.00 0.00 175.29 174.00 2jxa s TYR 84 N 2.41 1.98 -0.40 0.00 1.51 -1.26 -2.02 117.35 119.56 2jxa s TYR 84 Ca 0.02 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 2jxa s TYR 84 Cb -0.12 -0.95 0.16 0.00 -0.11 0.00 0.00 41.96 40.94 2jxa s TYR 84 CO -0.09 0.44 0.33 -1.17 -1.11 0.00 0.00 175.55 173.95 2jxa s LEU 85 N -2.91 0.93 0.28 -1.29 2.96 -1.13 -4.96 118.68 112.55 2jxa s LEU 85 Ca 0.20 -2.57 -0.02 0.00 -0.22 0.00 0.00 54.13 51.52 2jxa s LEU 85 Cb -0.05 -0.16 0.61 0.00 0.50 0.00 0.00 46.19 47.09 2jxa s LEU 85 CO 0.09 -0.21 1.62 -0.65 -1.32 0.00 0.00 176.35 175.87 2jxa h PRO 86 N 6.14 0.10 -0.30 0.98 0.11 -1.89 0.57 132.00 137.72 2jxa h PRO 86 Ca 0.17 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.36 2jxa h PRO 86 Cb 0.96 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2jxa h PRO 86 CO 0.30 0.07 0.34 -0.44 -0.21 0.00 0.00 178.00 178.05 2jxa h ASP 87 N 0.10 0.00 -0.75 -2.05 3.32 -1.95 -1.33 116.42 113.76 2jxa h ASP 87 Ca 0.51 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.75 2jxa h ASP 87 Cb 0.99 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 2jxa h ASP 87 CO -0.74 0.00 0.52 0.00 -1.72 0.00 0.00 179.24 177.30 2jxa h ALA 88 N 1.61 2.41 -0.24 3.45 0.00 -1.15 -0.84 119.26 124.49 2jxa h ALA 88 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2jxa h ALA 88 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jxa h ALA 88 CO -0.00 -0.62 0.02 0.35 0.00 0.00 0.00 179.25 179.00 2jxa h PHE 89 N 0.20 0.43 -0.51 0.00 3.57 -1.22 -2.73 116.94 116.68 2jxa h PHE 89 Ca 0.37 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 2jxa h PHE 89 Cb 1.15 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2jxa h PHE 89 CO -0.00 0.55 -0.14 1.57 -2.23 0.00 0.00 178.31 178.06 2jxa h LYS 90 N 0.19 0.99 -0.17 1.11 2.10 -1.36 -1.73 116.57 117.71 2jxa h LYS 90 Ca 0.07 -0.39 0.02 0.00 -2.00 0.00 0.00 60.65 58.35 2jxa h LYS 90 Cb 0.36 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2jxa h LYS 90 CO 0.01 1.07 0.03 0.82 -2.00 0.00 0.00 179.45 179.38 2jxa h ILE 91 N 0.86 0.93 -0.09 0.07 2.04 -1.24 -1.69 117.51 118.38 2jxa h ILE 91 Ca 0.13 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 2jxa h ILE 91 Cb 0.71 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2jxa h ILE 91 CO 0.05 0.02 -0.50 0.24 0.00 0.00 0.00 178.15 177.96 2jxa h MET 92 N 0.10 0.23 -0.51 2.37 2.86 -1.47 -2.69 114.93 115.82 2jxa h MET 92 Ca 0.07 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2jxa h MET 92 Cb 0.07 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2jxa h MET 92 CO -0.10 0.68 0.33 0.77 1.06 0.00 0.00 176.91 179.65 2jxa h SER 93 N 0.18 0.59 -0.48 1.22 0.02 -0.85 0.34 113.55 114.58 2jxa h SER 93 Ca 0.01 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2jxa h SER 93 Cb 0.95 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2jxa h SER 93 CO 0.08 0.44 0.08 1.56 -1.14 0.00 0.00 176.83 177.85 2jxa h GLN 94 N 0.69 0.86 0.02 3.45 4.20 -1.21 1.04 115.11 124.15 2jxa h GLN 94 Ca 0.19 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.48 2jxa h GLN 94 Cb -0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2jxa h GLN 94 CO -0.04 0.81 -0.94 0.00 -0.67 0.00 0.00 178.83 177.98 2jxa h ARG 95 N 0.81 0.19 0.00 1.46 3.08 -1.09 -3.37 114.38 115.46 2jxa h ARG 95 Ca 0.17 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jxa h ARG 95 Cb 0.37 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2jxa h ARG 95 CO 0.01 1.00 -0.71 0.00 -1.07 0.00 0.00 179.97 179.20 2jxa s ASN 97 N -2.13 6.48 -0.66 0.00 0.02 0.36 -1.96 114.94 117.04 2jxa s ASN 97 Ca 0.01 2.76 0.00 0.00 -1.02 0.00 0.00 52.86 54.61 2jxa s ASN 97 Cb 0.05 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.72 2jxa s ASN 97 CO 0.32 -0.89 0.00 0.59 0.02 0.00 0.00 177.10 177.13 2jxa n ASN 98 N 3.78 -4.68 -4.52 -1.22 4.13 -0.09 -4.95 115.26 107.72 2jxa n ASN 98 Ca 0.14 0.15 -0.31 0.00 1.68 0.00 0.00 54.58 56.25 2jxa n ASN 98 Cb 0.37 -2.73 -0.11 0.00 -1.54 0.00 0.00 39.78 35.77 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 -2.12 2.20 0.27 3.52 0.52 -0.83 -4.80 118.95 117.71 2jxa s ARG 99 Ca 0.00 -0.93 0.07 0.00 -0.52 0.00 0.00 55.73 54.35 2jxa s ARG 99 Cb 0.00 -2.29 0.36 0.00 0.52 0.00 0.00 34.95 33.54 2jxa s ARG 99 CO 0.00 0.55 1.62 1.15 0.02 0.00 0.00 175.30 178.64 2jxa h THR 100 N 3.76 1.37 -3.42 0.02 2.02 -1.86 1.15 112.91 115.95 2jxa h THR 100 Ca -0.48 -1.86 -0.10 0.00 0.77 0.00 0.00 66.41 64.74 2jxa h THR 100 Cb 1.16 1.94 -0.17 0.00 -1.74 0.00 0.00 68.15 69.34 2jxa h THR 100 CO 0.50 0.54 -0.31 0.00 0.37 0.00 0.00 175.52 176.62 2jxa s GLN 101 N -3.84 0.76 -0.20 6.66 -2.07 -1.26 0.19 119.66 119.89 2jxa s GLN 101 Ca -0.03 -0.57 -0.16 0.00 -1.82 0.00 0.00 55.36 52.78 2jxa s GLN 101 Cb 0.13 0.32 0.06 0.00 -1.09 0.00 0.00 33.01 32.43 2jxa s GLN 101 CO 0.78 -0.23 0.52 0.00 -1.32 0.00 0.00 175.29 175.03 2jxa s VAL 103 N 0.69 1.82 -0.02 0.00 1.01 -1.26 -1.12 120.40 121.52 2jxa s VAL 103 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2jxa s VAL 103 Cb -0.05 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2jxa s VAL 103 CO -0.05 0.51 0.13 -0.69 0.00 0.00 0.00 175.10 175.00 2jxa s VAL 104 N 0.43 0.05 -0.25 2.92 1.01 -0.89 -4.94 120.40 118.72 2jxa s VAL 104 Ca -0.18 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2jxa s VAL 104 Cb -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.87 2jxa s VAL 104 CO 0.08 -0.24 1.17 -0.69 0.00 0.00 0.00 175.10 175.41 2jxa s VAL 105 N -0.84 4.40 0.00 2.92 1.01 -1.26 -0.61 120.40 126.03 2jxa s VAL 105 Ca -0.09 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2jxa s VAL 105 Cb -0.05 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2jxa s VAL 105 CO 0.01 -0.32 0.87 0.00 0.00 0.00 0.00 175.10 175.65 2jxa n ALA 106 N 6.85 2.57 0.00 5.51 0.00 0.32 -4.57 120.51 131.18 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 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 1.66 -0.32 2.80 0.00 0.00 -1.26 -1.23 105.19 106.84 2jxa n GLY 107 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.01 1.61 2.88 -1.26 -0.31 113.62 116.55 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 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 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 -1.58 0.06 0.21 -3.46 8.00 -1.26 -1.97 116.55 116.56 2jxa n ASP 109 Ca 0.00 0.52 0.14 0.00 0.71 0.00 0.00 54.79 56.16 2jxa n ASP 109 Cb 0.00 -0.53 0.43 0.00 -0.02 0.00 0.00 41.12 41.00 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 2.20 1.00 -3.37 2.24 0.00 -1.00 -3.43 119.26 116.90 2jxa h ALA 110 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2jxa h ALA 110 Cb 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.56 2jxa h ALA 110 CO 0.00 0.00 -0.67 -0.06 0.00 0.00 0.00 179.25 178.52 2jxa s PHE 111 N -3.38 -0.07 0.00 0.00 0.08 0.58 -4.87 117.98 110.32 2jxa s PHE 111 Ca 0.05 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2jxa s PHE 111 Cb 0.08 -0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.35 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 4.31 2.58 -3.49 0.24 -0.02 -1.26 -4.58 135.00 132.77 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 0.51 0.00 -0.13 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 -2.72 3.10 -0.14 2.55 -1.08 -1.26 -4.94 116.67 112.18 2jxa s ASP 113 Ca 0.00 -2.09 -0.26 0.00 -0.52 0.00 0.00 52.55 49.68 2jxa s ASP 113 Cb 0.00 -0.44 -0.24 0.00 -1.46 0.00 0.00 42.92 40.79 2jxa s ASP 113 CO 0.00 -0.33 0.68 1.55 0.52 0.00 0.00 175.17 177.59 2jxa h PRO 114 N 7.20 0.00 -2.57 4.34 0.13 -1.93 -3.43 132.00 135.74 2jxa h PRO 114 Ca 0.02 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.55 2jxa h PRO 114 Cb 0.97 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.71 2jxa h PRO 114 CO 0.30 0.92 -0.87 0.00 -0.23 0.00 0.00 178.00 178.12 2jxa s PRO 116 N -0.14 3.64 0.00 0.00 0.02 -1.26 -3.40 135.00 133.86 2jxa s PRO 116 Ca 0.29 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.61 2jxa s PRO 116 Cb -0.02 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.91 2jxa s PRO 116 CO -0.16 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 2jxa n GLY 117 N 0.62 0.27 3.51 0.52 0.00 -1.26 -5.08 105.19 103.77 2jxa n GLY 117 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 3.01 -0.73 2.61 2.01 -1.22 -4.49 115.64 114.83 2jxa s THR 118 Ca 0.00 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.49 2jxa s THR 118 Cb 0.00 -2.34 0.08 0.00 0.01 0.00 0.00 72.50 70.24 2jxa s THR 118 CO 0.00 0.21 1.05 -0.47 -0.69 0.00 0.00 174.62 174.72 2jxa s TYR 119 N -1.07 2.70 0.00 4.92 5.04 -0.94 -4.98 117.35 123.01 2jxa s TYR 119 Ca 0.17 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 2jxa s TYR 119 Cb -0.11 -4.35 0.00 0.00 0.35 0.00 0.00 41.96 37.85 2jxa s TYR 119 CO 0.09 -1.69 0.00 1.63 -1.34 0.00 0.00 175.55 174.24 2jxa n LYS 120 N 7.76 0.38 -3.63 4.97 5.02 -1.26 -4.88 118.16 126.52 2jxa n LYS 120 Ca 0.04 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.26 2jxa n LYS 120 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.37 -0.26 -0.12 2.13 -0.85 0.13 -2.85 117.35 115.15 2jxa s TYR 121 Ca 0.00 0.02 0.01 0.00 -0.52 0.00 0.00 57.07 56.57 2jxa s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jxa s TYR 121 CO 0.00 -0.77 -0.13 -1.17 -1.52 0.00 0.00 175.55 171.97 2jxa s LEU 122 N -2.75 1.58 -0.16 -3.49 2.96 -0.25 -1.82 118.68 114.75 2jxa s LEU 122 Ca 0.08 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2jxa s LEU 122 Cb -0.02 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 2jxa s LEU 122 CO -0.03 -0.04 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.15 2jxa s GLU 123 N 1.34 3.38 -0.09 1.98 -6.30 -0.84 -1.93 118.70 116.24 2jxa s GLU 123 Ca 0.00 -0.67 -0.01 0.00 -2.50 0.00 0.00 54.97 51.80 2jxa s GLU 123 Cb -0.14 -2.74 0.03 0.00 0.00 0.00 0.00 34.13 31.28 2jxa s GLU 123 CO -0.07 0.09 -0.03 0.08 0.02 0.00 0.00 175.26 175.35 2jxa s VAL 124 N 0.68 0.63 -0.18 3.70 1.01 -0.67 -1.60 120.40 123.98 2jxa s VAL 124 Ca -0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2jxa s VAL 124 Cb -0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2jxa s VAL 124 CO 0.02 0.30 0.00 -1.10 0.00 0.00 0.00 175.10 174.32 2jxa s GLN 125 N 1.81 3.74 0.27 2.72 -0.21 0.59 -2.17 119.66 126.41 2jxa s GLN 125 Ca 0.04 -0.47 -0.13 0.00 0.02 0.00 0.00 55.36 54.81 2jxa s GLN 125 Cb -0.12 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.84 2jxa s GLN 125 CO -0.06 0.18 0.55 1.52 -2.12 0.00 0.00 175.29 175.36 2jxa s TYR 126 N 0.57 0.32 0.24 0.91 1.13 0.31 -0.89 117.35 119.93 2jxa s TYR 126 Ca -0.01 -0.71 0.05 0.00 -1.41 0.00 0.00 57.07 55.00 2jxa s TYR 126 Cb -0.14 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.98 2jxa s TYR 126 CO 0.02 -1.10 -0.05 -0.51 -2.51 0.00 0.00 175.55 171.40 2jxa s ASP 127 N -3.03 2.28 -0.20 -0.18 1.01 -1.00 -0.30 116.67 115.25 2jxa s ASP 127 Ca 0.21 -1.17 -0.02 0.00 0.71 0.00 0.00 52.55 52.27 2jxa s ASP 127 Cb -0.02 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.83 2jxa s ASP 127 CO 0.10 -0.40 -0.10 0.00 0.21 0.00 0.00 175.17 174.99 2jxa s VAL 129 N 1.36 2.75 0.45 0.00 -7.23 -0.99 -4.81 120.40 111.93 2jxa s VAL 129 Ca 0.05 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.37 2jxa s VAL 129 Cb -0.14 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 2jxa s VAL 129 CO -0.06 0.06 1.27 -2.65 -0.31 0.00 0.00 175.10 173.41 2jxa n PRO 130 N 0.69 1.85 -2.75 4.82 -0.02 -1.26 0.83 135.00 139.15 2jxa n PRO 130 Ca -0.15 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 2jxa n PRO 130 Cb 0.53 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2jxa n PRO 130 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jxa s TYR 131 N -1.23 3.57 -0.39 6.00 5.04 -0.64 -4.71 117.35 124.98 2jxa s TYR 131 Ca 0.63 1.74 -0.11 0.00 -2.44 0.00 0.00 57.07 56.89 2jxa s TYR 131 Cb -0.49 -2.94 0.04 0.00 0.35 0.00 0.00 41.96 38.92 2jxa s TYR 131 CO 0.56 0.04 0.23 0.15 -1.34 0.00 0.00 175.55 175.20 2jxa s LYS 132 N -2.29 2.79 -0.10 4.97 1.02 -1.26 -5.02 119.74 119.86 2jxa s LYS 132 Ca 0.53 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.20 2jxa s LYS 132 Cb -0.18 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.31 2jxa s LYS 132 CO 0.23 -0.77 0.40 0.08 -0.92 0.00 0.00 175.35 174.36 2jxa s VAL 133 N 1.54 5.18 0.00 3.17 1.01 -1.26 -5.27 120.40 124.77 2jxa s VAL 133 Ca 0.02 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2jxa s VAL 133 Cb -0.20 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2jxa s VAL 133 CO 0.06 0.43 0.00 1.21 0.00 0.00 0.00 175.10 176.80