#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa n LEU 30 N 0.00 -5.79 0.00 0.99 0.00 -1.26 -4.99 117.00 105.95 2jxa n LEU 30 Ca 0.00 2.17 0.00 0.00 0.00 0.00 0.00 56.01 58.18 2jxa n LEU 30 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 43.42 40.45 2jxa n LEU 30 CO 0.00 -3.65 0.00 -2.65 0.00 0.00 0.00 177.39 171.09 2jxa n PRO 31 N 1.89 0.66 0.18 1.96 -0.02 -1.26 -4.64 135.00 133.77 2jxa n PRO 31 Ca -0.29 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.32 2jxa n PRO 31 Cb 0.45 0.00 0.34 0.00 -0.02 0.00 0.00 33.50 34.27 2jxa n PRO 31 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2jxa h PHE 32 N 0.00 0.00 -0.12 6.00 0.04 -1.94 -3.46 116.94 117.46 2jxa h PHE 32 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2jxa h PHE 32 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2jxa h PHE 32 CO 0.00 0.00 -0.05 0.41 -0.60 0.00 0.00 178.31 178.07 2jxa n GLY 33 N 0.95 0.57 3.48 -1.45 0.00 -1.26 -4.97 105.19 102.51 2jxa n GLY 33 Ca 0.04 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.57 -1.13 0.33 0.99 2.96 -1.26 -5.11 118.68 114.88 2jxa s LEU 34 Ca 0.00 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 2jxa s LEU 34 Cb 0.00 2.18 0.00 0.00 0.50 0.00 0.00 46.19 48.87 2jxa s LEU 34 CO 0.00 -0.21 0.00 0.23 -1.32 0.00 0.00 176.35 175.05 2jxa n MET 35 N 5.40 -4.70 -3.30 1.98 2.81 -1.26 -4.91 117.12 113.14 2jxa n MET 35 Ca -0.09 3.38 -0.39 0.00 -1.81 0.00 0.00 57.70 58.80 2jxa n MET 35 Cb 0.50 -3.79 -0.06 0.00 -0.71 0.00 0.00 33.22 29.16 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 -1.75 4.18 -0.08 0.03 1.81 0.74 -4.83 118.95 119.05 2jxa s ARG 36 Ca 0.00 0.67 -0.05 0.00 -1.72 0.00 0.00 55.73 54.63 2jxa s ARG 36 Cb 0.00 -3.26 0.04 0.00 -0.45 0.00 0.00 34.95 31.27 2jxa s ARG 36 CO 0.00 0.58 0.19 0.50 -0.68 0.00 0.00 175.30 175.89 2jxa s ARG 37 N -0.86 0.16 0.02 3.54 3.52 -1.26 -0.75 118.95 123.32 2jxa s ARG 37 Ca 0.28 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 2jxa s ARG 37 Cb -0.19 -0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.10 2jxa s ARG 37 CO 0.17 -0.13 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.23 2jxa s GLU 38 N 0.93 0.67 -0.06 5.12 0.41 -0.80 -5.00 118.70 119.96 2jxa s GLU 38 Ca -0.07 -0.53 -0.03 0.00 -0.41 0.00 0.00 54.97 53.93 2jxa s GLU 38 Cb -0.09 -0.60 0.03 0.00 -1.78 0.00 0.00 34.13 31.70 2jxa s GLU 38 CO -0.05 0.15 0.14 -1.17 -0.49 0.00 0.00 175.26 173.83 2jxa s LEU 39 N -0.82 0.96 0.02 1.80 0.20 -1.26 -1.15 118.68 118.43 2jxa s LEU 39 Ca -0.01 0.28 -0.00 0.00 0.69 0.00 0.00 54.13 55.09 2jxa s LEU 39 Cb -0.06 0.37 -0.02 0.00 -0.43 0.00 0.00 46.19 46.05 2jxa s LEU 39 CO 0.00 -0.12 -0.03 0.00 -0.29 0.00 0.00 176.35 175.92 2jxa s ALA 40 N 0.85 0.16 0.18 5.97 0.00 -0.95 -4.99 121.76 122.99 2jxa s ALA 40 Ca -0.06 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 2jxa s ALA 40 Cb -0.08 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 2jxa s ALA 40 CO -0.04 -0.18 1.41 0.00 0.00 0.00 0.00 175.76 176.95 2jxa n GLU 42 N 3.19 0.30 -0.31 0.00 2.13 -1.08 -1.96 120.64 122.92 2jxa n GLU 42 Ca 0.09 0.11 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2jxa n GLU 42 Cb 0.41 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.92 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 1.88 1.21 3.49 8.31 0.00 0.17 -4.82 105.19 115.41 2jxa n GLY 43 Ca 0.15 0.00 -0.27 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 -2.87 2.46 0.28 1.61 1.51 -0.83 -4.64 117.35 114.87 2jxa s TYR 44 Ca 0.00 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 2jxa s TYR 44 Cb 0.00 -1.24 -0.10 0.00 -0.11 0.00 0.00 41.96 40.51 2jxa s TYR 44 CO 0.00 0.47 1.31 -1.25 -1.11 0.00 0.00 175.55 174.97 2jxa s PRO 45 N -2.58 4.38 -0.04 -1.71 0.04 -1.26 0.14 135.00 133.96 2jxa s PRO 45 Ca 0.21 2.15 0.07 0.00 0.04 0.00 0.00 61.00 63.47 2jxa s PRO 45 Cb -0.09 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2jxa s PRO 45 CO 0.11 -0.20 -0.25 -1.50 0.04 0.00 0.00 177.00 175.20 2jxa s ILE 46 N -0.61 2.07 -0.08 0.56 2.07 0.94 -4.85 121.20 121.30 2jxa s ILE 46 Ca 0.52 -1.08 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 2jxa s ILE 46 Cb -0.38 -1.73 -0.00 0.00 0.13 0.00 0.00 42.46 40.48 2jxa s ILE 46 CO 0.46 0.58 -0.21 -0.70 -1.91 0.00 0.00 174.94 173.16 2jxa s GLU 47 N -0.42 2.52 0.01 3.50 2.12 -1.26 -1.93 118.70 123.24 2jxa s GLU 47 Ca 0.04 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2jxa s GLU 47 Cb -0.12 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 2jxa s GLU 47 CO 0.01 0.21 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.41 2jxa s LEU 48 N 0.24 3.42 -0.14 2.70 1.43 0.04 -4.95 118.68 121.42 2jxa s LEU 48 Ca -0.13 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2jxa s LEU 48 Cb -0.16 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.14 2jxa s LEU 48 CO 0.06 0.27 0.33 -0.13 0.23 0.00 0.00 176.35 177.12 2jxa s ARG 49 N -1.57 0.32 0.01 1.70 0.52 -1.26 -1.28 118.95 117.40 2jxa s ARG 49 Ca 0.19 0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 56.01 2jxa s ARG 49 Cb -0.11 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 2jxa s ARG 49 CO 0.10 -0.14 0.17 0.00 0.02 0.00 0.00 175.30 175.46 2jxa s PRO 51 N -2.07 3.48 4.37 0.00 0.04 -1.26 -4.79 135.00 134.77 2jxa s PRO 51 Ca 0.29 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2jxa s PRO 51 Cb -0.13 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2jxa s PRO 51 CO 0.20 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2jxa n GLY 52 N -2.34 2.64 1.81 0.56 0.00 -1.26 -2.11 105.19 104.50 2jxa n GLY 52 Ca 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 0.96 4.57 -4.86 1.61 3.41 -1.26 -4.98 113.62 113.06 2jxa n SER 53 Ca 0.00 -3.25 -0.30 0.00 -0.26 0.00 0.00 58.87 55.07 2jxa n SER 53 Cb 0.00 -0.71 0.07 0.00 -0.26 0.00 0.00 64.21 63.31 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 -1.26 4.93 0.02 4.04 1.01 -0.90 -3.25 116.67 121.25 2jxa s ASP 54 Ca 0.53 1.08 0.06 0.00 0.71 0.00 0.00 52.55 54.93 2jxa s ASP 54 Cb 0.43 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.55 2jxa s ASP 54 CO 0.12 -1.67 -0.17 0.68 0.21 0.00 0.00 175.17 174.34 2jxa s VAL 55 N -3.36 1.39 0.30 -1.27 -7.23 0.21 -4.36 120.40 106.09 2jxa s VAL 55 Ca 0.60 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 2jxa s VAL 55 Cb -0.12 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 2jxa s VAL 55 CO 0.52 0.24 1.31 -0.63 -0.31 0.00 0.00 175.10 176.23 2jxa s ILE 56 N -0.62 2.83 -0.29 -0.62 1.01 0.51 -2.38 121.20 121.65 2jxa s ILE 56 Ca 0.06 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 2jxa s ILE 56 Cb -0.08 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 38.98 2jxa s ILE 56 CO 0.01 0.18 0.11 0.00 0.00 0.00 0.00 174.94 175.23 2jxa s MET 57 N -1.40 0.48 0.11 2.79 0.23 -0.58 -0.60 119.30 120.32 2jxa s MET 57 Ca 0.51 -0.79 -0.31 0.00 -1.03 0.00 0.00 55.69 54.07 2jxa s MET 57 Cb -0.39 -1.65 -0.10 0.00 -1.53 0.00 0.00 34.83 31.16 2jxa s MET 57 CO 0.49 -0.97 1.83 0.08 -2.03 0.00 0.00 175.02 174.42 2jxa s VAL 58 N 1.84 2.64 -0.23 5.16 1.01 -1.26 -2.44 120.40 127.12 2jxa s VAL 58 Ca 0.09 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2jxa s VAL 58 Cb -0.17 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 2jxa s VAL 58 CO -0.29 -0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.88 2jxa n GLU 59 N 5.88 0.51 -3.78 2.72 -0.58 -0.65 -4.99 120.64 119.74 2jxa n GLU 59 Ca 0.18 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 57.01 2jxa n GLU 59 Cb 0.39 -1.36 -0.10 0.00 -0.57 0.00 0.00 31.44 29.80 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 -7.02 -0.21 -0.07 1.62 0.01 -0.95 -5.04 114.94 103.29 2jxa s ASN 60 Ca -0.33 0.26 -0.29 0.00 -0.71 0.00 0.00 52.86 51.78 2jxa s ASN 60 Cb 0.12 0.42 0.11 0.00 0.41 0.00 0.00 41.25 42.31 2jxa s ASN 60 CO 0.42 -0.29 0.90 0.00 -1.51 0.00 0.00 177.10 176.62 2jxa s ALA 61 N -0.71 -1.86 0.04 0.60 0.00 -1.26 -0.45 121.76 118.13 2jxa s ALA 61 Ca -0.08 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 2jxa s ALA 61 Cb -0.04 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2jxa s ALA 61 CO 0.02 -0.51 0.43 1.21 0.00 0.00 0.00 175.76 176.92 2jxa s ASN 62 N -1.81 -0.32 -0.16 0.00 2.47 -0.89 -3.81 114.94 110.43 2jxa s ASN 62 Ca 0.01 0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.35 2jxa s ASN 62 Cb -0.01 0.44 0.01 0.00 -1.45 0.00 0.00 41.25 40.24 2jxa s ASN 62 CO -0.03 -0.67 -0.21 -0.47 -3.72 0.00 0.00 177.10 172.00 2jxa s TYR 63 N -2.43 2.71 -0.59 0.43 5.04 -1.26 -2.19 117.35 119.06 2jxa s TYR 63 Ca -0.05 -1.49 0.00 0.00 -2.44 0.00 0.00 57.07 53.09 2jxa s TYR 63 Cb -0.01 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.44 2jxa s TYR 63 CO -0.02 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 2jxa n GLY 64 N 4.33 -0.36 3.33 8.97 0.00 -0.43 -3.48 105.19 117.56 2jxa n GLY 64 Ca -0.20 -0.58 -0.03 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 -2.00 0.48 0.00 1.61 3.52 -0.97 -0.06 118.95 121.53 2jxa s ARG 65 Ca 0.00 1.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 2jxa s ARG 65 Cb 0.00 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2jxa s ARG 65 CO 0.00 -0.37 0.82 0.25 -0.81 0.00 0.00 175.30 175.19 2jxa n THR 66 N 5.42 0.68 -3.84 4.11 -2.24 -1.26 -0.89 114.28 116.27 2jxa n THR 66 Ca -0.07 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 60.89 2jxa n THR 66 Cb 0.50 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.68 0.05 0.00 3.42 2.15 -1.26 -4.80 116.67 115.56 2jxa s ASP 67 Ca 0.00 -0.49 0.07 0.00 0.43 0.00 0.00 52.55 52.56 2jxa s ASP 67 Cb 0.00 0.33 0.06 0.00 -0.30 0.00 0.00 42.92 43.00 2jxa s ASP 67 CO 0.00 -0.66 0.73 -0.90 -0.17 0.00 0.00 175.17 174.17 2jxa n ASP 68 N 0.27 1.60 -1.10 -0.34 5.75 -1.26 -4.49 116.55 116.98 2jxa n ASP 68 Ca -0.17 -1.30 0.11 0.00 -0.01 0.00 0.00 54.79 53.41 2jxa n ASP 68 Cb 0.61 -0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.92 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jxa n LYS 69 N 0.39 2.49 -4.63 0.11 5.02 -1.26 -4.88 118.16 115.40 2jxa n LYS 69 Ca 0.04 -2.29 -0.33 0.00 -2.02 0.00 0.00 58.31 53.71 2jxa n LYS 69 Cb 0.18 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.27 3.55 -0.98 -0.18 -1.09 -1.26 -4.66 121.20 115.31 2jxa s ILE 70 Ca 0.38 -0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 58.23 2jxa s ILE 70 Cb 0.21 -2.48 -0.06 0.00 -1.58 0.00 0.00 42.46 38.55 2jxa s ILE 70 CO 0.29 0.56 0.86 0.00 -1.23 0.00 0.00 174.94 175.42 2jxa n ASP 72 N -2.99 0.66 -0.84 0.00 5.68 -1.26 -4.87 116.55 112.93 2jxa n ASP 72 Ca -0.06 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 2jxa n ASP 72 Cb 0.60 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 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 9.36 0.00 -1.76 2.12 0.00 -1.26 -5.11 120.51 123.86 2jxa n ALA 73 Ca 0.59 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.64 2jxa n ALA 73 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.49 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 0.06 5.84 0.33 0.00 -4.77 -1.26 -4.83 116.67 112.04 2jxa s ASP 74 Ca 0.00 2.62 0.05 0.00 -3.30 0.00 0.00 52.55 51.93 2jxa s ASP 74 Cb 0.00 -2.63 0.69 0.00 -1.09 0.00 0.00 42.92 39.89 2jxa s ASP 74 CO 0.00 -1.17 1.88 1.55 0.70 0.00 0.00 175.17 178.13 2jxa h PRO 75 N 2.01 0.81 -0.23 2.11 0.13 -1.99 -0.58 132.00 134.27 2jxa h PRO 75 Ca -0.50 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 2jxa h PRO 75 Cb 1.27 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2jxa h PRO 75 CO 0.60 0.54 -0.04 0.74 -0.23 0.00 0.00 178.00 179.60 2jxa h PHE 76 N 0.83 0.35 0.00 1.56 0.04 -1.96 0.19 116.94 117.96 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 0.51 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2jxa h PHE 76 CO -0.00 0.39 -0.33 1.04 -0.60 0.00 0.00 178.31 178.82 2jxa n GLN 77 N -4.31 0.08 0.00 1.51 6.02 -0.35 -3.26 117.38 117.07 2jxa n GLN 77 Ca 0.00 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 2jxa n GLN 77 Cb 0.23 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.69 1.25 0.33 -1.09 2.81 -0.22 -2.37 117.12 116.15 2jxa n MET 78 Ca 0.06 -0.96 -0.17 0.00 -1.81 0.00 0.00 57.70 54.82 2jxa n MET 78 Cb 0.37 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 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 2.32 -0.77 -6.21 0.03 5.08 -0.68 -3.42 114.58 110.92 2jxa h GLU 79 Ca 0.00 0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.84 2jxa h GLU 79 Cb 0.73 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2jxa h GLU 79 CO 0.00 -0.50 0.84 1.21 -1.00 0.00 0.00 179.01 179.56 2jxa s ASN 80 N -4.52 6.98 -0.32 1.42 2.47 -1.26 -4.91 114.94 114.80 2jxa s ASN 80 Ca -0.17 1.24 0.08 0.00 0.42 0.00 0.00 52.86 54.43 2jxa s ASN 80 Cb 0.03 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.85 2jxa s ASN 80 CO 0.60 -0.80 1.58 1.33 -3.72 0.00 0.00 177.10 176.10 2jxa n VAL 81 N 5.64 2.71 -3.41 -5.21 0.24 -1.26 -4.79 118.33 112.24 2jxa n VAL 81 Ca 0.12 -2.45 -0.26 0.00 -2.04 0.00 0.00 64.34 59.71 2jxa n VAL 81 Cb 0.46 -0.35 -0.10 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 -3.22 0.66 -0.11 7.34 -1.52 -1.00 -4.07 119.66 117.74 2jxa s GLN 82 Ca 0.48 -1.46 -0.04 0.00 -1.95 0.00 0.00 55.36 52.39 2jxa s GLN 82 Cb 0.42 -1.21 0.06 0.00 -0.22 0.00 0.00 33.01 32.06 2jxa s GLN 82 CO 0.03 -1.26 0.22 0.00 -0.25 0.00 0.00 175.29 174.04 2jxa s TYR 84 N 2.35 1.55 -0.36 0.00 1.51 -1.26 -2.30 117.35 118.84 2jxa s TYR 84 Ca 0.02 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 2jxa s TYR 84 Cb -0.12 -0.79 0.15 0.00 -0.11 0.00 0.00 41.96 41.10 2jxa s TYR 84 CO -0.07 0.22 0.37 -1.17 -1.11 0.00 0.00 175.55 173.79 2jxa s LEU 85 N -2.65 -0.14 0.22 -1.29 2.96 -1.23 -4.93 118.68 111.62 2jxa s LEU 85 Ca 0.13 -1.42 -0.08 0.00 -0.22 0.00 0.00 54.13 52.53 2jxa s LEU 85 Cb -0.04 0.60 0.35 0.00 0.50 0.00 0.00 46.19 47.61 2jxa s LEU 85 CO 0.04 -0.28 1.69 -0.65 -1.32 0.00 0.00 176.35 175.84 2jxa h PRO 86 N 7.24 0.24 -1.00 0.98 0.11 -1.92 -1.66 132.00 136.00 2jxa h PRO 86 Ca 0.02 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.40 2jxa h PRO 86 Cb 1.06 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2jxa h PRO 86 CO 0.22 0.16 0.70 -0.44 -0.21 0.00 0.00 178.00 178.43 2jxa h ASP 87 N 0.25 0.10 -0.81 -2.05 3.32 -1.96 1.00 116.42 116.26 2jxa h ASP 87 Ca 0.35 0.01 0.21 0.00 0.02 0.00 0.00 57.03 57.63 2jxa h ASP 87 Cb 0.56 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2jxa h ASP 87 CO -0.46 0.03 0.56 0.00 -1.72 0.00 0.00 179.24 177.65 2jxa h ALA 88 N 1.53 2.51 -0.15 3.45 0.00 -1.61 -0.75 119.26 124.23 2jxa h ALA 88 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2jxa h ALA 88 Cb 1.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2jxa h ALA 88 CO -0.06 -0.75 0.04 0.35 0.00 0.00 0.00 179.25 178.83 2jxa h PHE 89 N 0.17 0.26 -0.64 0.00 3.57 -0.89 -2.74 116.94 116.67 2jxa h PHE 89 Ca 0.40 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 2jxa h PHE 89 Cb 1.32 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2jxa h PHE 89 CO -0.00 0.38 0.20 1.57 -2.23 0.00 0.00 178.31 178.23 2jxa h LYS 90 N 0.06 0.99 -0.11 1.11 2.10 -1.28 -1.46 116.57 117.97 2jxa h LYS 90 Ca 0.05 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2jxa h LYS 90 Cb 0.25 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 2jxa h LYS 90 CO 0.00 0.87 0.07 0.82 -2.00 0.00 0.00 179.45 179.21 2jxa h ILE 91 N 0.92 1.03 -0.09 0.07 2.04 -1.39 -2.05 117.51 118.02 2jxa h ILE 91 Ca 0.21 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.90 2jxa h ILE 91 Cb 0.29 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2jxa h ILE 91 CO -0.01 0.03 -0.47 0.24 0.00 0.00 0.00 178.15 177.94 2jxa h MET 92 N 0.15 0.23 -0.42 2.37 2.86 -1.42 -2.23 114.93 116.48 2jxa h MET 92 Ca 0.04 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2jxa h MET 92 Cb -0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2jxa h MET 92 CO -0.01 0.66 0.27 0.77 1.06 0.00 0.00 176.91 179.66 2jxa h SER 93 N 0.19 0.47 -0.50 1.22 0.02 -0.95 0.45 113.55 114.45 2jxa h SER 93 Ca 0.01 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2jxa h SER 93 Cb 0.90 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2jxa h SER 93 CO 0.07 0.34 -0.07 1.56 -1.14 0.00 0.00 176.83 177.59 2jxa h GLN 94 N 0.56 0.96 -0.10 3.45 4.20 -1.30 0.97 115.11 123.86 2jxa h GLN 94 Ca 0.15 -0.33 -0.21 0.00 0.06 0.00 0.00 58.65 58.33 2jxa h GLN 94 Cb -0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2jxa h GLN 94 CO -0.04 0.99 -0.79 0.00 -0.67 0.00 0.00 178.83 178.33 2jxa h ARG 95 N 0.87 0.58 0.00 1.46 3.08 -0.83 -3.39 114.38 116.14 2jxa h ARG 95 Ca 0.14 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 2jxa h ARG 95 Cb 0.61 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2jxa h ARG 95 CO 0.04 1.12 -1.35 0.00 -1.07 0.00 0.00 179.97 178.70 2jxa n ASN 97 N -1.86 2.55 -0.24 0.00 4.13 0.33 -1.47 115.26 118.71 2jxa n ASN 97 Ca -0.03 1.18 -0.03 0.00 1.68 0.00 0.00 54.58 57.38 2jxa n ASN 97 Cb 0.31 -1.47 -0.01 0.00 -1.54 0.00 0.00 39.78 37.07 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jxa n ASN 98 N 0.71 -4.44 -4.54 6.41 4.13 0.23 -4.96 115.26 112.79 2jxa n ASN 98 Ca 0.06 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.08 2jxa n ASN 98 Cb 0.36 -2.21 -0.11 0.00 -1.54 0.00 0.00 39.78 36.28 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 -1.56 2.31 0.32 3.52 0.52 -0.54 -4.75 118.95 118.77 2jxa s ARG 99 Ca 0.00 -0.86 0.13 0.00 -0.52 0.00 0.00 55.73 54.48 2jxa s ARG 99 Cb 0.00 -2.35 0.50 0.00 0.52 0.00 0.00 34.95 33.62 2jxa s ARG 99 CO 0.00 0.57 1.68 1.15 0.02 0.00 0.00 175.30 178.71 2jxa h THR 100 N 3.77 1.25 -3.60 0.02 2.02 -1.86 1.50 112.91 116.01 2jxa h THR 100 Ca -0.48 -1.83 -0.11 0.00 0.77 0.00 0.00 66.41 64.76 2jxa h THR 100 Cb 1.16 2.02 -0.17 0.00 -1.74 0.00 0.00 68.15 69.42 2jxa h THR 100 CO 0.51 0.50 -0.40 0.00 0.37 0.00 0.00 175.52 176.51 2jxa s GLN 101 N -3.69 0.70 -0.08 6.66 1.03 -1.26 0.12 119.66 123.15 2jxa s GLN 101 Ca -0.01 -0.67 -0.12 0.00 0.04 0.00 0.00 55.36 54.60 2jxa s GLN 101 Cb 0.12 0.29 0.03 0.00 0.03 0.00 0.00 33.01 33.48 2jxa s GLN 101 CO 0.73 -0.20 0.30 0.00 -2.54 0.00 0.00 175.29 173.58 2jxa s VAL 103 N -0.43 0.88 -0.02 0.00 1.01 -1.26 -0.78 120.40 119.79 2jxa s VAL 103 Ca -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2jxa s VAL 103 Cb -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2jxa s VAL 103 CO 0.02 0.32 0.10 -0.69 0.00 0.00 0.00 175.10 174.84 2jxa s VAL 104 N 1.17 0.04 -0.19 2.92 1.01 -0.81 -4.96 120.40 119.58 2jxa s VAL 104 Ca -0.06 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2jxa s VAL 104 Cb -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2jxa s VAL 104 CO -0.02 -0.18 1.06 -0.69 0.00 0.00 0.00 175.10 175.27 2jxa s VAL 105 N -0.57 4.66 -0.33 2.92 1.01 -1.26 -0.04 120.40 126.79 2jxa s VAL 105 Ca -0.06 1.98 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2jxa s VAL 105 Cb -0.04 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jxa s VAL 105 CO 0.00 -0.12 0.29 0.00 0.00 0.00 0.00 175.10 175.28 2jxa n ALA 106 N 5.96 1.75 -3.67 5.51 0.00 0.37 -4.68 120.51 125.74 2jxa n ALA 106 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 2jxa n ALA 106 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.46 -0.42 0.00 0.00 0.00 -1.26 0.43 107.32 106.53 2jxa s GLY 107 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2jxa s GLY 107 CO 0.00 1.57 0.00 -1.26 0.00 0.00 0.00 173.10 173.41 2jxa n SER 108 N -0.61 0.00 0.02 1.64 2.88 -1.26 -4.22 113.62 112.07 2jxa n SER 108 Ca -0.06 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.53 2jxa n SER 108 Cb 0.63 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.04 0.09 0.23 -3.46 8.00 -1.26 -1.61 116.55 118.58 2jxa n ASP 109 Ca 0.00 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.15 2jxa n ASP 109 Cb 0.00 -0.55 0.36 0.00 -0.02 0.00 0.00 41.12 40.92 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 2.26 0.96 -3.42 2.24 0.00 -1.87 -3.42 119.26 116.01 2jxa h ALA 110 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 2jxa h ALA 110 Cb 0.15 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 17.56 2jxa h ALA 110 CO 0.00 0.14 -0.75 -0.06 0.00 0.00 0.00 179.25 178.59 2jxa s PHE 111 N -3.40 0.27 0.00 0.00 0.08 -0.63 -4.96 117.98 109.32 2jxa s PHE 111 Ca 0.04 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.14 2jxa s PHE 111 Cb 0.08 -0.46 0.00 0.00 -0.57 0.00 0.00 43.02 42.06 2jxa s PHE 111 CO 0.64 -0.17 0.00 -2.30 -0.10 0.00 0.00 175.22 173.29 2jxa n PRO 112 N 4.58 2.79 -3.52 0.24 -0.02 -1.26 -4.39 135.00 133.42 2jxa n PRO 112 Ca -0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 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 3.21 -0.06 2.55 -1.08 -1.26 -4.88 116.67 112.47 2jxa s ASP 113 Ca 0.00 -2.08 -0.20 0.00 -0.52 0.00 0.00 52.55 49.75 2jxa s ASP 113 Cb 0.00 -0.51 -0.15 0.00 -1.46 0.00 0.00 42.92 40.80 2jxa s ASP 113 CO 0.00 -0.33 0.79 1.55 0.52 0.00 0.00 175.17 177.70 2jxa h PRO 114 N 7.25 -0.19 -2.70 4.34 0.13 -1.92 -3.43 132.00 135.49 2jxa h PRO 114 Ca -0.00 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.55 2jxa h PRO 114 Cb 0.97 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.75 2jxa h PRO 114 CO 0.33 0.24 -0.82 0.00 -0.23 0.00 0.00 178.00 177.52 2jxa s PRO 116 N 0.78 3.89 0.00 0.00 0.02 -1.26 -3.32 135.00 135.12 2jxa s PRO 116 Ca 0.19 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2jxa s PRO 116 Cb -0.22 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2jxa s PRO 116 CO -0.01 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2jxa n GLY 117 N 0.54 0.75 3.23 0.52 0.00 -1.26 -5.08 105.19 103.89 2jxa n GLY 117 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.10 1.50 -0.73 2.61 2.01 -1.21 -4.45 115.64 113.27 2jxa s THR 118 Ca 0.00 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 60.55 2jxa s THR 118 Cb 0.00 -1.34 0.08 0.00 0.01 0.00 0.00 72.50 71.25 2jxa s THR 118 CO 0.00 0.07 1.02 -0.47 -0.69 0.00 0.00 174.62 174.55 2jxa s TYR 119 N -0.92 2.75 0.00 4.92 5.04 -1.00 -4.99 117.35 123.15 2jxa s TYR 119 Ca 0.05 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 2jxa s TYR 119 Cb -0.09 -4.31 0.00 0.00 0.35 0.00 0.00 41.96 37.91 2jxa s TYR 119 CO 0.02 -1.64 0.00 1.63 -1.34 0.00 0.00 175.55 174.23 2jxa n LYS 120 N 7.55 1.21 -3.83 4.97 5.02 -1.26 -4.87 118.16 126.95 2jxa n LYS 120 Ca 0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2jxa n LYS 120 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.48 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N 0.00 0.00 -0.08 2.13 -0.85 0.91 -2.64 117.35 116.83 2jxa s TYR 121 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 2jxa s TYR 121 Cb 0.00 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.97 2jxa s TYR 121 CO 0.00 -0.55 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.26 2jxa s LEU 122 N -3.35 1.15 -0.11 -3.49 2.96 -0.81 -1.31 118.68 113.72 2jxa s LEU 122 Ca 0.21 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2jxa s LEU 122 Cb 0.00 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2jxa s LEU 122 CO 0.01 -0.10 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.04 2jxa s GLU 123 N 1.39 3.14 -0.07 1.98 2.12 -0.93 -2.23 118.70 124.11 2jxa s GLU 123 Ca -0.02 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.49 2jxa s GLU 123 Cb -0.13 -2.41 0.03 0.00 0.26 0.00 0.00 34.13 31.87 2jxa s GLU 123 CO -0.03 0.21 -0.02 0.08 -0.54 0.00 0.00 175.26 174.95 2jxa s VAL 124 N 0.30 0.51 -0.16 3.70 1.01 -0.30 -2.10 120.40 123.36 2jxa s VAL 124 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2jxa s VAL 124 Cb -0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2jxa s VAL 124 CO 0.07 0.26 -0.06 -1.10 0.00 0.00 0.00 175.10 174.27 2jxa s GLN 125 N 1.57 3.54 0.23 2.72 -0.21 0.41 -1.91 119.66 126.01 2jxa s GLN 125 Ca -0.01 -0.59 -0.13 0.00 0.02 0.00 0.00 55.36 54.65 2jxa s GLN 125 Cb -0.13 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.03 2jxa s GLN 125 CO -0.04 0.16 0.48 1.52 -2.12 0.00 0.00 175.29 175.29 2jxa s TYR 126 N 0.54 0.27 0.28 0.91 1.13 0.07 -1.64 117.35 118.92 2jxa s TYR 126 Ca -0.05 -0.63 0.12 0.00 -1.41 0.00 0.00 57.07 55.09 2jxa s TYR 126 Cb -0.15 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.88 2jxa s TYR 126 CO 0.03 -0.96 -0.17 -0.51 -2.51 0.00 0.00 175.55 171.42 2jxa s ASP 127 N -2.99 3.69 -0.15 -0.18 1.01 -1.02 -0.19 116.67 116.84 2jxa s ASP 127 Ca 0.19 -1.01 -0.02 0.00 0.71 0.00 0.00 52.55 52.43 2jxa s ASP 127 Cb -0.01 -0.35 -0.02 0.00 1.01 0.00 0.00 42.92 43.56 2jxa s ASP 127 CO 0.06 0.02 -0.09 0.00 0.21 0.00 0.00 175.17 175.37 2jxa s VAL 129 N 0.56 0.88 0.56 0.00 -7.23 -1.00 -4.85 120.40 109.33 2jxa s VAL 129 Ca -0.06 -1.63 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 2jxa s VAL 129 Cb -0.15 -1.34 -0.06 0.00 0.56 0.00 0.00 36.38 35.39 2jxa s VAL 129 CO 0.03 -0.58 1.05 -2.65 -0.31 0.00 0.00 175.10 172.64 2jxa n PRO 130 N 0.56 1.12 0.00 4.82 -0.02 -1.26 0.67 135.00 140.89 2jxa n PRO 130 Ca -0.16 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2jxa n PRO 130 Cb 0.58 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.41 0.00 0.00 6.00 9.36 -1.20 -4.69 117.16 125.22 2jxa n TYR 131 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2jxa n TYR 131 Cb 0.45 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 2jxa n TYR 131 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jxa n LYS 132 N 0.00 0.00 -3.26 2.98 3.00 -1.26 -4.91 118.16 114.71 2jxa n LYS 132 Ca 0.00 0.16 -0.38 0.00 -0.00 0.00 0.00 58.31 58.09 2jxa n LYS 132 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 35.03 34.34 2jxa n LYS 132 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2jxa s VAL 133 N -0.90 5.16 0.00 3.15 1.01 -1.26 -5.27 120.40 122.29 2jxa s VAL 133 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2jxa s VAL 133 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2jxa s VAL 133 CO 0.00 0.29 0.00 -0.62 0.00 0.00 0.00 175.10 174.77