#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djt s SER 2 N 0.00 6.34 0.18 1.61 0.01 -1.26 -4.99 113.70 115.59 2djt s SER 2 Ca 0.00 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.30 2djt s SER 2 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2djt s SER 2 CO 0.00 -1.65 0.31 -0.55 0.41 0.00 0.00 173.24 171.75 2djt s SER 3 N 4.36 6.30 0.68 2.44 0.15 -1.26 -4.93 113.70 121.44 2djt s SER 3 Ca 0.40 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2djt s SER 3 Cb -0.04 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2djt s SER 3 CO 0.02 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2djt n GLY 4 N -0.86 0.96 3.97 9.45 0.00 -1.26 -4.95 105.19 112.50 2djt n GLY 4 Ca -0.08 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 2djt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djt n SER 5 N 5.19 -3.65 -0.10 1.61 2.88 -1.26 -4.88 113.62 113.41 2djt n SER 5 Ca 0.00 -0.86 -0.17 0.00 -1.33 0.00 0.00 58.87 56.51 2djt n SER 5 Cb 0.00 -3.56 -0.06 0.00 -0.75 0.00 0.00 64.21 59.84 2djt n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2djt n SER 6 N -2.83 1.76 -2.70 -3.46 7.64 -1.26 -4.97 113.62 107.80 2djt n SER 6 Ca -0.02 0.30 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 2djt n SER 6 Cb 0.55 -0.70 0.08 0.00 -1.01 0.00 0.00 64.21 63.13 2djt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djt n GLY 7 N 1.60 -0.65 0.11 0.23 0.00 -1.26 -5.02 105.19 100.20 2djt n GLY 7 Ca -0.31 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2djt n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2djt h GLN 8 N 3.15 0.26 -4.18 1.61 4.20 -1.99 -3.45 115.11 114.72 2djt h GLN 8 Ca -0.20 -0.13 -0.32 0.00 0.06 0.00 0.00 58.65 58.05 2djt h GLN 8 Cb 1.13 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.62 2djt h GLN 8 CO 0.07 0.66 -0.75 0.00 -0.67 0.00 0.00 178.83 178.14 2djt s ALA 9 N -4.35 0.40 0.55 3.87 0.00 -1.26 -5.15 121.76 115.82 2djt s ALA 9 Ca -0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 2djt s ALA 9 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2djt s ALA 9 CO 0.73 0.07 0.92 0.45 0.00 0.00 0.00 175.76 177.94 2djt s SER 10 N 0.08 6.29 0.00 0.00 0.15 -1.26 -4.50 113.70 114.46 2djt s SER 10 Ca -0.01 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2djt s SER 10 Cb -0.04 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2djt s SER 10 CO -0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2djt n GLY 11 N -2.41 3.02 3.70 9.45 0.00 -1.26 -5.07 105.19 112.62 2djt n GLY 11 Ca 0.04 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2djt n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djt s HIS 12 N 0.00 2.55 0.25 1.61 4.02 -1.26 -4.77 115.29 117.68 2djt s HIS 12 Ca 0.00 0.24 0.11 0.00 1.02 0.00 0.00 55.06 56.43 2djt s HIS 12 Cb 0.00 -4.09 -0.05 0.00 -1.02 0.00 0.00 32.58 27.42 2djt s HIS 12 CO 0.00 -4.32 -0.20 -0.59 1.02 0.00 0.00 174.74 170.65 2djt s PHE 13 N 2.04 2.21 0.20 1.40 -0.12 -0.42 -4.95 117.98 118.36 2djt s PHE 13 Ca 0.76 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 57.33 2djt s PHE 13 Cb -0.46 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 40.90 2djt s PHE 13 CO 0.34 0.62 0.18 -1.12 -0.05 0.00 0.00 175.22 175.19 2djt s SER 14 N -3.29 5.63 -0.17 1.98 0.01 -1.26 0.12 113.70 116.71 2djt s SER 14 Ca 0.27 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.38 2djt s SER 14 Cb -0.05 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2djt s SER 14 CO 0.13 0.02 -0.14 -0.69 0.41 0.00 0.00 173.24 172.96 2djt s VAL 15 N -1.92 2.64 -0.25 3.43 1.01 0.11 -4.89 120.40 120.54 2djt s VAL 15 Ca 0.32 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 2djt s VAL 15 Cb -0.09 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2djt s VAL 15 CO 0.25 0.50 0.04 -1.61 0.00 0.00 0.00 175.10 174.28 2djt s GLU 16 N 1.08 3.43 0.06 2.72 2.02 -1.25 -2.74 118.70 124.01 2djt s GLU 16 Ca -0.00 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2djt s GLU 16 Cb -0.14 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 2djt s GLU 16 CO -0.04 -0.26 -0.05 -0.51 0.02 0.00 0.00 175.26 174.42 2djt s LEU 17 N 1.54 2.40 -0.30 1.80 1.43 -1.18 -4.98 118.68 119.39 2djt s LEU 17 Ca 0.05 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.27 2djt s LEU 17 Cb -0.15 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.09 2djt s LEU 17 CO 0.01 -0.41 0.10 -0.69 0.23 0.00 0.00 176.35 175.59 2djt s VAL 18 N -2.79 4.14 -0.59 -1.59 1.01 -1.26 -1.98 120.40 117.34 2djt s VAL 18 Ca 0.00 -0.61 -0.38 0.00 0.00 0.00 0.00 61.98 60.99 2djt s VAL 18 Cb -0.00 -3.13 -0.19 0.00 0.00 0.00 0.00 36.38 33.06 2djt s VAL 18 CO -0.04 0.08 2.14 -1.14 0.00 0.00 0.00 175.10 176.14 2djt n ARG 19 N 4.90 0.00 0.00 2.72 0.63 -1.21 -4.88 116.66 118.81 2djt n ARG 19 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2djt n ARG 19 Cb 0.48 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.98 2djt n ARG 19 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2djt n GLY 20 N 6.83 1.70 3.70 5.14 0.00 -1.09 -4.96 105.19 116.51 2djt n GLY 20 Ca 0.54 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2djt n GLY 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2djt s TYR 21 N 3.68 3.51 -1.18 1.61 6.14 -1.26 -3.67 117.35 126.19 2djt s TYR 21 Ca 0.00 1.52 -0.01 0.00 0.64 0.00 0.00 57.07 59.22 2djt s TYR 21 Cb 0.00 -3.24 0.00 0.00 0.42 0.00 0.00 41.96 39.14 2djt s TYR 21 CO 0.00 -0.51 0.99 0.00 0.64 0.00 0.00 175.55 176.66 2djt n ALA 22 N 4.35 -1.89 -0.21 3.97 0.00 -1.26 -4.70 120.51 120.77 2djt n ALA 22 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2djt n ALA 22 Cb 0.49 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2djt n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 23 N -1.21 -0.33 0.05 0.00 0.00 -1.24 -3.85 105.19 98.61 2djt n GLY 23 Ca -0.25 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 44.82 2djt n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2djt n PHE 24 N 0.00 0.00 -2.09 1.61 3.72 -1.26 -2.67 117.46 116.76 2djt n PHE 24 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2djt n PHE 24 Cb 0.00 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.39 2djt n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2djt n GLY 25 N 1.48 0.15 3.55 1.37 0.00 -1.25 -3.94 105.19 106.55 2djt n GLY 25 Ca 0.06 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2djt n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2djt s LEU 26 N -4.11 3.51 0.11 0.99 2.96 -1.26 -1.51 118.68 119.37 2djt s LEU 26 Ca 0.00 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 2djt s LEU 26 Cb 0.00 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2djt s LEU 26 CO 0.00 0.16 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.09 2djt s THR 27 N 0.46 1.76 0.02 3.68 2.01 -1.19 -5.05 115.64 117.32 2djt s THR 27 Ca -0.00 -1.60 0.08 0.00 0.31 0.00 0.00 61.69 60.49 2djt s THR 27 Cb -0.13 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 2djt s THR 27 CO 0.02 -0.08 -0.25 -0.76 -0.69 0.00 0.00 174.62 172.86 2djt s LEU 28 N -2.00 2.19 -0.27 4.42 1.43 -1.26 -1.32 118.68 121.88 2djt s LEU 28 Ca 0.08 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2djt s LEU 28 Cb -0.10 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.84 2djt s LEU 28 CO 0.05 0.28 -0.08 -0.83 0.23 0.00 0.00 176.35 176.00 2djt s GLY 29 N -1.02 1.67 0.00 -3.19 0.00 -0.79 -4.77 107.32 99.22 2djt s GLY 29 Ca 0.11 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.12 2djt s GLY 29 CO 0.01 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2djt n GLY 30 N 4.51 0.30 0.00 0.20 0.00 -1.26 -4.20 105.19 104.74 2djt n GLY 30 Ca -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2djt n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djt n GLY 31 N 0.00 -0.19 3.59 -0.02 0.00 -0.85 -4.70 105.19 103.02 2djt n GLY 31 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2djt n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2djt s ARG 32 N -2.33 3.07 0.20 1.61 3.52 -1.01 -2.72 118.95 121.29 2djt s ARG 32 Ca 0.00 1.43 0.10 0.00 -0.13 0.00 0.00 55.73 57.13 2djt s ARG 32 Cb 0.00 -4.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 2djt s ARG 32 CO 0.00 -2.17 -0.13 0.34 -0.81 0.00 0.00 175.30 172.53 2djt s ASP 33 N 7.42 4.05 0.57 -2.12 -1.08 0.19 -3.61 116.67 122.10 2djt s ASP 33 Ca 0.84 -0.68 0.31 0.00 -0.52 0.00 0.00 52.55 52.50 2djt s ASP 33 Cb -0.23 -0.60 1.73 0.00 -1.46 0.00 0.00 42.92 42.37 2djt s ASP 33 CO 0.31 0.09 2.18 1.62 0.52 0.00 0.00 175.17 179.90 2djt h VAL 34 N 2.73 0.44 0.01 1.11 3.04 -2.02 -2.31 116.25 119.24 2djt h VAL 34 Ca -0.46 -0.26 -0.31 0.00 -1.01 0.00 0.00 66.70 64.65 2djt h VAL 34 Cb 1.21 1.18 -0.05 0.00 -2.01 0.00 0.00 31.29 31.62 2djt h VAL 34 CO 0.54 0.05 -1.89 0.00 -1.01 0.00 0.00 177.57 175.26 2djt n ALA 35 N -2.25 1.47 -3.45 3.17 0.00 -1.26 -4.98 120.51 113.20 2djt n ALA 35 Ca -0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 2djt n ALA 35 Cb 0.16 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 2djt n ALA 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2djt s GLY 36 N -5.23 -0.44 -0.35 0.00 0.00 -0.87 -5.14 107.32 95.29 2djt s GLY 36 Ca -0.07 1.26 -0.11 0.00 0.00 0.00 0.00 44.72 45.80 2djt s GLY 36 CO 0.82 0.98 0.20 0.99 0.00 0.00 0.00 173.10 176.09 2djt s ASP 37 N -0.63 5.73 0.02 1.64 1.01 -1.26 0.56 116.67 123.74 2djt s ASP 37 Ca -0.07 -0.72 0.02 0.00 0.71 0.00 0.00 52.55 52.50 2djt s ASP 37 Cb -0.03 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 2djt s ASP 37 CO 0.05 -0.29 -0.08 0.42 0.21 0.00 0.00 175.17 175.48 2djt s THR 38 N 1.61 0.60 -0.13 -1.27 -4.23 -1.10 -4.94 115.64 106.18 2djt s THR 38 Ca 0.04 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.56 2djt s THR 38 Cb -0.18 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2djt s THR 38 CO 0.07 -0.09 1.54 -2.16 -0.54 0.00 0.00 174.62 173.45 2djt s PRO 39 N -0.86 4.09 0.11 3.99 0.04 -1.26 -2.02 135.00 139.09 2djt s PRO 39 Ca -0.03 1.91 -0.35 0.00 0.04 0.00 0.00 61.00 62.57 2djt s PRO 39 Cb -0.06 -3.94 -0.15 0.00 0.04 0.00 0.00 34.50 30.38 2djt s PRO 39 CO 0.00 -0.93 1.47 1.28 0.04 0.00 0.00 177.00 178.86 2djt n LEU 40 N 7.35 2.36 -3.74 -3.56 4.77 -1.26 -4.36 117.00 118.56 2djt n LEU 40 Ca 0.17 1.10 -0.13 0.00 -0.03 0.00 0.00 56.01 57.11 2djt n LEU 40 Cb 0.44 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.13 2djt n LEU 40 CO 0.61 -0.67 0.07 0.00 -1.33 0.00 0.00 177.39 176.07 2djt s ALA 41 N 0.78 -0.93 0.15 -1.18 0.00 -1.26 -2.25 121.76 117.08 2djt s ALA 41 Ca 0.82 0.76 -0.34 0.00 0.00 0.00 0.00 51.96 53.20 2djt s ALA 41 Cb -0.82 -0.28 -0.15 0.00 0.00 0.00 0.00 23.12 21.87 2djt s ALA 41 CO 0.43 -0.23 1.50 0.28 0.00 0.00 0.00 175.76 177.74 2djt n VAL 42 N 2.04 0.08 -0.00 0.00 0.31 -1.22 -1.88 118.33 117.66 2djt n VAL 42 Ca -0.17 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2djt n VAL 42 Cb 0.57 -1.33 -0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2djt n VAL 42 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2djt n ARG 43 N 3.06 0.01 -4.41 5.55 0.00 -0.44 -1.75 116.66 118.68 2djt n ARG 43 Ca 0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.76 2djt n ARG 43 Cb 0.26 -0.48 -0.11 0.00 0.00 0.00 0.00 32.46 32.13 2djt n ARG 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2djt s GLY 44 N -3.02 1.74 -0.30 5.14 0.00 -1.24 -4.79 107.32 104.85 2djt s GLY 44 Ca -0.00 -1.66 0.02 0.00 0.00 0.00 0.00 44.72 43.07 2djt s GLY 44 CO 0.00 -1.70 0.03 1.08 0.00 0.00 0.00 173.10 172.51 2djt s LEU 45 N -2.87 3.50 -0.29 0.66 1.43 -1.26 -3.17 118.68 116.68 2djt s LEU 45 Ca 0.23 -1.74 -0.32 0.00 -1.03 0.00 0.00 54.13 51.27 2djt s LEU 45 Cb -0.07 -1.32 -0.08 0.00 0.03 0.00 0.00 46.19 44.74 2djt s LEU 45 CO 0.12 -0.34 2.21 -0.11 0.23 0.00 0.00 176.35 178.46 2djt n LEU 46 N 4.52 2.64 -4.37 1.79 0.00 -0.57 -4.88 117.00 116.12 2djt n LEU 46 Ca -0.02 0.30 -0.33 0.00 0.00 0.00 0.00 56.01 55.96 2djt n LEU 46 Cb 0.42 -1.40 0.13 0.00 0.00 0.00 0.00 43.42 42.57 2djt n LEU 46 CO 0.18 -0.73 -0.22 1.17 0.00 0.00 0.00 177.39 177.79 2djt n LYS 47 N 8.47 -0.53 -1.96 1.96 3.00 -1.26 -2.28 118.16 125.56 2djt n LYS 47 Ca 0.36 -0.12 -0.16 0.00 -0.00 0.00 0.00 58.31 58.39 2djt n LYS 47 Cb 0.33 -1.79 -0.04 0.00 0.00 0.00 0.00 35.03 33.53 2djt n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2djt n ASP 48 N -1.21 -4.49 -4.77 3.14 2.03 -1.26 -4.94 116.55 105.04 2djt n ASP 48 Ca 0.05 0.25 -0.26 0.00 0.52 0.00 0.00 54.79 55.34 2djt n ASP 48 Cb 0.55 -3.92 -0.06 0.00 -0.72 0.00 0.00 41.12 36.97 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2djt s GLY 49 N -2.19 2.45 0.12 0.27 0.00 -0.97 -4.97 107.32 102.04 2djt s GLY 49 Ca 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 2djt s GLY 49 CO 0.00 -1.97 1.45 -0.56 0.00 0.00 0.00 173.10 172.02 2djt h PRO 50 N 1.30 0.83 -0.50 2.90 0.13 -1.85 0.85 132.00 135.66 2djt h PRO 50 Ca -0.42 -0.44 -0.09 0.00 -0.87 0.00 0.00 66.00 64.18 2djt h PRO 50 Cb 1.27 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2djt h PRO 50 CO 0.69 1.08 -0.06 0.00 -0.23 0.00 0.00 178.00 179.48 2djt h ALA 51 N 0.74 0.96 0.06 -0.56 0.00 -1.89 0.05 119.26 118.61 2djt h ALA 51 Ca 0.05 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 2djt h ALA 51 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2djt h ALA 51 CO 0.08 0.62 -1.09 0.37 0.00 0.00 0.00 179.25 179.24 2djt h GLN 52 N 0.80 0.14 -0.01 0.00 -0.00 -1.77 -3.12 115.11 111.16 2djt h GLN 52 Ca 0.14 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2djt h GLN 52 Cb 0.56 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.12 2djt h GLN 52 CO 0.03 1.09 -0.02 0.00 0.00 0.00 0.00 178.83 179.94 2djt h ARG 53 N 0.05 0.03 -0.85 1.69 3.08 -0.67 -3.19 114.38 114.51 2djt h ARG 53 Ca -0.07 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.06 2djt h ARG 53 Cb 1.82 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.81 2djt h ARG 53 CO 0.16 0.57 0.55 0.00 -1.07 0.00 0.00 179.97 180.18 2djt n GLY 55 N -1.42 1.01 0.43 0.00 0.00 -1.18 -4.75 105.19 99.28 2djt n GLY 55 Ca 0.14 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.50 2djt n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djt n ARG 56 N 0.00 -0.01 -3.65 1.61 1.74 -1.26 -3.90 116.66 111.18 2djt n ARG 56 Ca 0.00 0.86 -0.36 0.00 -0.77 0.00 0.00 57.85 57.58 2djt n ARG 56 Cb 0.00 -1.83 -0.08 0.00 -1.02 0.00 0.00 32.46 29.54 2djt n ARG 56 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2djt s LEU 57 N -7.58 4.21 0.12 0.55 1.43 -1.26 -5.09 118.68 111.06 2djt s LEU 57 Ca -0.05 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2djt s LEU 57 Cb 0.21 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2djt s LEU 57 CO 0.63 0.14 -0.09 -1.61 0.23 0.00 0.00 176.35 175.64 2djt s GLU 58 N 0.49 0.95 -0.04 1.70 2.02 -1.25 -4.86 118.70 117.71 2djt s GLU 58 Ca 0.11 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 53.46 2djt s GLU 58 Cb -0.12 -0.50 -0.06 0.00 0.10 0.00 0.00 34.13 33.55 2djt s GLU 58 CO 0.01 0.06 1.65 0.08 0.02 0.00 0.00 175.26 177.07 2djt s VAL 59 N -3.15 3.52 0.00 2.63 1.01 -1.26 -2.30 120.40 120.85 2djt s VAL 59 Ca 0.12 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2djt s VAL 59 Cb 0.02 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2djt s VAL 59 CO -0.01 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2djt n GLY 60 N 4.10 1.12 3.54 4.51 0.00 -0.72 -4.96 105.19 112.79 2djt n GLY 60 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2djt n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2djt n ASP 61 N 0.00 -0.45 -4.45 1.61 5.75 -0.97 -4.76 116.55 113.29 2djt n ASP 61 Ca 0.00 0.59 -0.37 0.00 -0.01 0.00 0.00 54.79 55.00 2djt n ASP 61 Cb 0.00 -1.31 -0.12 0.00 -1.03 0.00 0.00 41.12 38.65 2djt n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2djt s LEU 62 N -1.92 3.66 -0.22 -2.12 1.43 -1.26 -3.46 118.68 114.80 2djt s LEU 62 Ca 0.68 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 2djt s LEU 62 Cb -0.33 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 2djt s LEU 62 CO 0.55 -0.08 0.55 -0.69 0.23 0.00 0.00 176.35 176.91 2djt s VAL 63 N 1.61 5.07 -0.26 -1.59 1.01 -0.95 -2.04 120.40 123.25 2djt s VAL 63 Ca 0.06 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2djt s VAL 63 Cb -0.16 -3.87 -0.17 0.00 0.00 0.00 0.00 36.38 32.18 2djt s VAL 63 CO 0.05 0.13 -0.21 0.18 0.00 0.00 0.00 175.10 175.25 2djt n LEU 64 N 5.08 2.87 -4.15 3.92 7.99 -0.97 -4.70 117.00 127.03 2djt n LEU 64 Ca -0.03 -0.13 -0.17 0.00 -0.01 0.00 0.00 56.01 55.67 2djt n LEU 64 Cb 0.50 -0.86 -0.05 0.00 -0.11 0.00 0.00 43.42 42.89 2djt n LEU 64 CO 0.42 0.92 0.07 -1.00 -1.51 0.00 0.00 177.39 176.29 2djt s HIS 65 N -2.52 1.32 -0.24 -1.77 3.76 -1.23 -3.79 115.29 110.81 2djt s HIS 65 Ca -0.34 -1.44 -0.08 0.00 -0.15 0.00 0.00 55.06 53.05 2djt s HIS 65 Cb 0.09 -0.29 0.11 0.00 1.11 0.00 0.00 32.58 33.60 2djt s HIS 65 CO 0.61 -1.07 0.52 0.42 -0.85 0.00 0.00 174.74 174.37 2djt s ILE 66 N -3.11 -0.80 -1.51 0.60 1.01 -0.45 -2.33 121.20 114.61 2djt s ILE 66 Ca 0.34 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 2djt s ILE 66 Cb 0.00 -0.82 0.06 0.00 0.01 0.00 0.00 42.46 41.72 2djt s ILE 66 CO 0.23 0.03 0.67 0.59 0.00 0.00 0.00 174.94 176.47 2djt n ASN 67 N 5.42 -2.20 -1.03 3.58 3.02 0.19 0.38 115.26 124.61 2djt n ASN 67 Ca -0.10 -0.94 -0.13 0.00 -0.03 0.00 0.00 54.58 53.39 2djt n ASN 67 Cb 0.49 -3.26 -0.05 0.00 -0.61 0.00 0.00 39.78 36.36 2djt n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2djt n GLY 68 N -1.71 1.20 3.36 7.41 0.00 -1.26 -4.99 105.19 109.19 2djt n GLY 68 Ca -0.13 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2djt n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2djt s GLU 69 N -3.25 3.41 -0.30 1.61 2.56 0.16 -5.08 118.70 117.81 2djt s GLU 69 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 54.97 54.04 2djt s GLU 69 Cb 0.00 -2.82 -0.00 0.00 2.00 0.00 0.00 34.13 33.31 2djt s GLU 69 CO 0.00 0.04 1.39 -1.54 -0.56 0.00 0.00 175.26 174.60 2djt s SER 70 N 0.82 6.54 0.00 -1.70 1.04 -1.26 -1.34 113.70 117.80 2djt s SER 70 Ca -0.03 1.22 0.09 0.00 0.48 0.00 0.00 55.95 57.71 2djt s SER 70 Cb -0.15 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.76 2djt s SER 70 CO 0.01 -1.19 1.24 1.07 0.98 0.00 0.00 173.24 175.36 2djt n THR 71 N 6.42 0.25 -0.28 2.02 5.66 -1.25 -4.15 114.28 122.95 2djt n THR 71 Ca 0.16 -0.27 0.05 0.00 -3.05 0.00 0.00 64.05 60.94 2djt n THR 71 Cb 0.47 0.13 0.19 0.00 -1.55 0.00 0.00 70.33 69.57 2djt n THR 71 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 2djt h GLN 72 N 1.25 0.62 -0.31 1.09 3.07 -1.89 -2.36 115.11 116.57 2djt h GLN 72 Ca 0.00 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.50 2djt h GLN 72 Cb 0.28 -0.14 -0.14 0.00 0.08 0.00 0.00 27.48 27.56 2djt h GLN 72 CO 0.00 0.41 -0.41 0.41 0.09 0.00 0.00 178.83 179.33 2djt n GLY 73 N -1.32 5.40 3.28 0.06 0.00 -1.26 -5.00 105.19 106.34 2djt n GLY 73 Ca 0.15 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2djt n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2djt s LEU 74 N -3.35 2.13 0.00 0.99 1.43 -0.89 -5.11 118.68 113.88 2djt s LEU 74 Ca 0.44 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2djt s LEU 74 Cb 0.40 -1.39 0.19 0.00 0.03 0.00 0.00 46.19 45.41 2djt s LEU 74 CO -0.02 0.24 1.15 0.35 0.23 0.00 0.00 176.35 178.30 2djt n THR 75 N 2.98 0.00 0.03 5.49 -2.24 -1.26 -4.57 114.28 114.70 2djt n THR 75 Ca -0.18 -1.00 -0.11 0.00 -2.27 0.00 0.00 64.05 60.49 2djt n THR 75 Cb 0.52 -1.43 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 2djt n THR 75 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2djt h HIS 76 N -1.48 -0.96 0.22 4.78 -0.00 -1.84 -1.57 115.15 114.29 2djt h HIS 76 Ca -0.37 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.04 2djt h HIS 76 Cb 1.08 0.43 -0.03 0.00 -0.00 0.00 0.00 27.41 28.89 2djt h HIS 76 CO 0.00 -0.43 -0.37 0.00 -0.00 0.00 0.00 177.93 177.13 2djt h ALA 77 N 0.28 -0.71 -0.34 5.26 0.00 -1.93 -1.35 119.26 120.46 2djt h ALA 77 Ca 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2djt h ALA 77 Cb 0.57 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2djt h ALA 77 CO -0.33 -0.95 -0.33 1.96 0.00 0.00 0.00 179.25 179.60 2djt h GLN 78 N -0.67 -0.15 -0.76 0.00 1.08 -1.85 0.70 115.11 113.47 2djt h GLN 78 Ca 0.01 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.39 2djt h GLN 78 Cb 0.65 0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 28.00 2djt h GLN 78 CO -0.16 -0.10 0.17 0.00 -0.95 0.00 0.00 178.83 177.79 2djt h ALA 79 N -0.43 0.99 0.00 3.87 0.00 -1.19 0.52 119.26 123.01 2djt h ALA 79 Ca 0.06 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2djt h ALA 79 Cb 0.31 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2djt h ALA 79 CO -0.41 -0.36 -0.23 0.28 0.00 0.00 0.00 179.25 178.53 2djt h VAL 80 N 0.25 0.88 0.00 0.00 2.07 0.18 -2.10 116.25 117.53 2djt h VAL 80 Ca 0.44 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2djt h VAL 80 Cb 0.77 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2djt h VAL 80 CO -0.54 0.23 -0.18 -0.08 0.02 0.00 0.00 177.57 177.02 2djt h GLU 81 N 0.00 0.00 0.02 1.57 4.22 0.54 -2.93 114.58 118.00 2djt h GLU 81 Ca -0.00 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.23 2djt h GLU 81 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2djt h GLU 81 CO 0.03 0.18 -0.95 0.00 -2.18 0.00 0.00 179.01 176.09 2djt h ARG 82 N 0.00 0.17 -0.05 1.92 2.47 -0.62 -3.03 114.38 115.25 2djt h ARG 82 Ca -0.00 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.47 2djt h ARG 82 Cb 0.83 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2djt h ARG 82 CO 0.02 0.99 -0.13 0.82 0.56 0.00 0.00 179.97 182.24 2djt h ILE 83 N 0.08 1.45 -0.51 2.04 2.04 -1.47 0.14 117.51 121.27 2djt h ILE 83 Ca -0.05 -1.53 0.05 0.00 1.00 0.00 0.00 64.86 64.33 2djt h ILE 83 Cb 1.61 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 40.01 2djt h ILE 83 CO 0.14 0.42 0.34 0.08 0.00 0.00 0.00 178.15 179.13 2djt h ARG 84 N -0.37 0.50 -0.00 2.37 0.11 -1.62 0.05 114.38 115.41 2djt h ARG 84 Ca -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2djt h ARG 84 Cb 0.75 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2djt h ARG 84 CO 0.03 0.33 -0.44 0.00 0.10 0.00 0.00 179.97 179.98 2djt n ALA 85 N -2.49 3.47 -0.19 0.08 0.00 -1.14 -4.18 120.51 116.05 2djt n ALA 85 Ca 0.06 -0.42 0.21 0.00 0.00 0.00 0.00 53.44 53.30 2djt n ALA 85 Cb 0.20 -1.07 0.58 0.00 0.00 0.00 0.00 19.45 19.16 2djt n ALA 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2djt h GLY 86 N 4.96 0.55 0.00 0.00 0.00 0.11 -3.48 103.07 105.21 2djt h GLY 86 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2djt h GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2djt n GLY 87 N -1.58 -0.91 0.24 4.60 0.00 -1.26 -4.48 105.19 101.80 2djt n GLY 87 Ca 0.18 -2.02 0.16 0.00 0.00 0.00 0.00 46.02 44.33 2djt n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djt h PRO 88 N 0.00 0.00 -5.21 1.61 0.13 -1.95 -3.42 132.00 123.16 2djt h PRO 88 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2djt h PRO 88 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 2djt h PRO 88 CO 0.00 0.00 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.37 2djt s GLN 89 N -3.58 3.39 -0.10 0.86 1.11 -1.26 -3.36 119.66 116.73 2djt s GLN 89 Ca 0.02 -0.66 -0.11 0.00 0.01 0.00 0.00 55.36 54.62 2djt s GLN 89 Cb 0.09 -2.77 -0.05 0.00 -1.01 0.00 0.00 33.01 29.27 2djt s GLN 89 CO 0.49 0.07 0.26 -1.17 0.01 0.00 0.00 175.29 174.95 2djt s LEU 90 N 0.74 4.37 -0.20 2.90 0.20 -0.84 -4.83 118.68 121.01 2djt s LEU 90 Ca -0.04 0.61 -0.04 0.00 0.69 0.00 0.00 54.13 55.35 2djt s LEU 90 Cb -0.15 -2.31 0.07 0.00 -0.43 0.00 0.00 46.19 43.37 2djt s LEU 90 CO 0.02 0.29 0.09 -2.28 -0.29 0.00 0.00 176.35 174.18 2djt s HIS 91 N -0.56 0.34 -0.08 5.38 2.46 -1.21 -3.11 115.29 118.51 2djt s HIS 91 Ca 0.18 -0.52 0.03 0.00 0.47 0.00 0.00 55.06 55.21 2djt s HIS 91 Cb -0.14 -0.79 0.01 0.00 -0.13 0.00 0.00 32.58 31.53 2djt s HIS 91 CO 0.06 -0.60 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.04 2djt s LEU 92 N 2.09 1.86 -0.36 8.88 1.43 -1.11 0.55 118.68 132.02 2djt s LEU 92 Ca 0.03 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 2djt s LEU 92 Cb -0.16 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2djt s LEU 92 CO -0.16 0.10 0.62 -0.69 0.23 0.00 0.00 176.35 176.45 2djt s VAL 93 N 0.49 4.90 0.07 -1.59 1.01 -0.98 0.10 120.40 124.40 2djt s VAL 93 Ca -0.16 0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.42 2djt s VAL 93 Cb -0.17 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2djt s VAL 93 CO 0.06 -0.31 -0.21 -0.63 0.00 0.00 0.00 175.10 174.01 2djt s ILE 94 N 2.67 1.68 -0.21 2.22 -1.09 0.12 -2.30 121.20 124.28 2djt s ILE 94 Ca 0.23 -1.35 -0.01 0.00 -2.23 0.00 0.00 60.65 57.30 2djt s ILE 94 Cb -0.15 -1.49 0.06 0.00 -1.58 0.00 0.00 42.46 39.30 2djt s ILE 94 CO 0.15 0.09 -0.01 -0.60 -1.23 0.00 0.00 174.94 173.34 2djt s ARG 95 N -1.49 1.12 -0.05 2.79 3.52 -0.87 -1.29 118.95 122.68 2djt s ARG 95 Ca 0.07 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 2djt s ARG 95 Cb -0.09 -2.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.92 2djt s ARG 95 CO 0.03 -0.61 1.71 0.50 -0.81 0.00 0.00 175.30 176.12 2djt s ARG 96 N 1.64 4.14 0.00 5.12 3.52 -1.26 -4.08 118.95 128.04 2djt s ARG 96 Ca -0.03 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 2djt s ARG 96 Cb -0.18 -4.02 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 2djt s ARG 96 CO -0.07 -0.90 0.00 -0.35 -0.81 0.00 0.00 175.30 173.17 2djt n PRO 97 N 7.25 0.20 -2.78 5.12 -0.04 -1.26 -5.05 135.00 138.44 2djt n PRO 97 Ca 0.18 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 2djt n PRO 97 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 2djt n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2djt s LEU 98 N 0.00 3.60 -0.03 1.53 2.01 -1.26 -5.10 118.68 119.42 2djt s LEU 98 Ca 0.00 0.64 -0.30 0.00 0.01 0.00 0.00 54.13 54.48 2djt s LEU 98 Cb 0.00 -3.53 0.11 0.00 0.01 0.00 0.00 46.19 42.78 2djt s LEU 98 CO 0.00 -0.68 1.04 -0.94 1.01 0.00 0.00 176.35 176.77 2djt s SER 99 N -4.17 -0.23 0.00 2.29 1.04 -1.26 -5.19 113.70 106.17 2djt s SER 99 Ca 0.48 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2djt s SER 99 Cb -0.10 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2djt s SER 99 CO 0.42 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2djt n GLY 100 N -0.26 4.47 3.62 7.32 0.00 -1.26 -5.17 105.19 113.90 2djt n GLY 100 Ca -0.06 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 2djt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djt s PRO 101 N -0.98 -0.72 0.74 1.61 0.04 -1.26 -5.06 135.00 129.37 2djt s PRO 101 Ca 0.00 0.11 -0.07 0.00 0.04 0.00 0.00 61.00 61.08 2djt s PRO 101 Cb 0.00 -1.64 0.08 0.00 0.04 0.00 0.00 34.50 32.98 2djt s PRO 101 CO 0.00 -3.41 1.05 -1.54 0.04 0.00 0.00 177.00 173.14 2djt s SER 102 N -3.75 4.57 -0.40 6.66 1.04 -1.26 -5.07 113.70 115.49 2djt s SER 102 Ca 0.69 0.36 0.02 0.00 0.48 0.00 0.00 55.95 57.50 2djt s SER 102 Cb -0.13 -0.91 0.12 0.00 0.10 0.00 0.00 66.02 65.20 2djt s SER 102 CO 0.57 -1.76 0.19 -0.55 0.98 0.00 0.00 173.24 172.67 2djt s SER 103 N -4.58 3.91 0.00 7.02 0.15 -1.26 -5.35 113.70 113.59 2djt s SER 103 Ca 0.62 -2.37 0.00 0.00 0.70 0.00 0.00 55.95 54.91 2djt s SER 103 Cb -0.09 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2djt s SER 103 CO 0.46 -0.31 0.44 0.61 1.20 0.00 0.00 173.24 175.64