#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djt n SER 2 N 0.00 -1.45 -4.06 1.61 2.88 -1.26 -4.89 113.62 106.45 2djt n SER 2 Ca 0.00 -1.19 -0.16 0.00 -1.33 0.00 0.00 58.87 56.19 2djt n SER 2 Cb 0.00 -1.51 -0.13 0.00 -0.75 0.00 0.00 64.21 61.82 2djt n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2djt s SER 3 N -3.26 1.06 0.00 -3.46 0.01 -1.26 -5.09 113.70 101.70 2djt s SER 3 Ca 0.71 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2djt s SER 3 Cb -0.41 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2djt s SER 3 CO 0.97 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 175.17 2djt n GLY 4 N 1.96 0.22 1.67 3.44 0.00 -1.26 -5.06 105.19 106.15 2djt n GLY 4 Ca -0.19 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2djt n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2djt n SER 5 N 0.00 3.68 -0.03 1.61 3.41 -1.26 -4.68 113.62 116.35 2djt n SER 5 Ca 0.00 -3.62 -0.03 0.00 -0.26 0.00 0.00 58.87 54.96 2djt n SER 5 Cb 0.00 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 2djt n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2djt n SER 6 N -0.78 3.67 0.00 4.04 3.41 -1.26 -5.12 113.62 117.58 2djt n SER 6 Ca 0.33 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2djt n SER 6 Cb 0.89 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 2djt n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djt n GLY 7 N 3.06 0.95 3.42 5.00 0.00 -1.26 -4.98 105.19 111.38 2djt n GLY 7 Ca -0.09 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 2djt n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2djt s GLN 8 N 0.00 1.61 -0.20 1.61 -2.07 -1.26 -5.17 119.66 114.19 2djt s GLN 8 Ca 0.00 -1.90 -0.18 0.00 -1.82 0.00 0.00 55.36 51.46 2djt s GLN 8 Cb 0.00 -0.63 0.05 0.00 -1.09 0.00 0.00 33.01 31.34 2djt s GLN 8 CO 0.00 -0.27 0.53 0.00 -1.32 0.00 0.00 175.29 174.23 2djt s ALA 9 N -3.43 -1.32 -0.75 2.60 0.00 -1.26 -5.11 121.76 112.48 2djt s ALA 9 Ca 0.35 1.53 -0.20 0.00 0.00 0.00 0.00 51.96 53.64 2djt s ALA 9 Cb 0.08 -0.89 0.10 0.00 0.00 0.00 0.00 23.12 22.41 2djt s ALA 9 CO 0.15 -0.26 0.97 -1.12 0.00 0.00 0.00 175.76 175.50 2djt s SER 10 N 0.38 6.36 0.00 0.00 0.01 -1.26 -4.32 113.70 114.87 2djt s SER 10 Ca -0.01 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.73 2djt s SER 10 Cb -0.04 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2djt s SER 10 CO -0.01 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.04 2djt n GLY 11 N 5.35 -0.07 3.91 3.44 0.00 -1.26 -5.13 105.19 111.42 2djt n GLY 11 Ca 0.06 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 2djt n GLY 11 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2djt s HIS 12 N 0.00 3.50 0.30 1.61 0.00 -1.26 -4.64 115.29 114.79 2djt s HIS 12 Ca 0.00 0.40 0.08 0.00 -3.00 0.00 0.00 55.06 52.54 2djt s HIS 12 Cb 0.00 -1.88 -0.06 0.00 -4.00 0.00 0.00 32.58 26.64 2djt s HIS 12 CO 0.00 0.51 -0.07 -0.59 -1.00 0.00 0.00 174.74 173.59 2djt s PHE 13 N -1.59 2.10 0.20 0.38 -0.12 -0.02 -4.80 117.98 114.13 2djt s PHE 13 Ca 0.38 -0.63 0.05 0.00 -0.05 0.00 0.00 56.93 56.68 2djt s PHE 13 Cb -0.13 -1.20 -0.04 0.00 -0.63 0.00 0.00 43.02 41.03 2djt s PHE 13 CO 0.26 0.38 0.23 -1.54 -0.05 0.00 0.00 175.22 174.50 2djt s SER 14 N -3.50 5.85 -0.16 1.98 1.04 -1.26 -1.01 113.70 116.65 2djt s SER 14 Ca 0.31 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2djt s SER 14 Cb 0.03 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.57 2djt s SER 14 CO 0.13 0.01 -0.12 -0.69 0.98 0.00 0.00 173.24 173.55 2djt s VAL 15 N -1.90 1.49 -0.15 5.02 1.01 -0.49 -4.92 120.40 120.46 2djt s VAL 15 Ca 0.33 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2djt s VAL 15 Cb -0.09 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2djt s VAL 15 CO 0.26 0.36 -0.06 -1.61 0.00 0.00 0.00 175.10 174.05 2djt s GLU 16 N 1.50 3.58 0.06 2.72 0.41 -1.25 -2.77 118.70 122.95 2djt s GLU 16 Ca 0.03 -0.57 -0.05 0.00 -0.41 0.00 0.00 54.97 53.98 2djt s GLU 16 Cb -0.14 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.34 2djt s GLU 16 CO -0.10 0.20 0.07 -0.51 -0.49 0.00 0.00 175.26 174.43 2djt s LEU 17 N 0.45 1.98 -0.26 1.80 1.43 -1.22 -4.99 118.68 117.87 2djt s LEU 17 Ca -0.05 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.22 2djt s LEU 17 Cb -0.15 0.57 0.00 0.00 0.03 0.00 0.00 46.19 46.65 2djt s LEU 17 CO 0.03 -0.62 0.03 -0.69 0.23 0.00 0.00 176.35 175.33 2djt s VAL 18 N -3.61 3.68 -0.56 -1.59 1.01 -1.26 -3.01 120.40 115.06 2djt s VAL 18 Ca 0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 2djt s VAL 18 Cb 0.05 -2.82 -0.15 0.00 0.00 0.00 0.00 36.38 33.46 2djt s VAL 18 CO -0.09 0.21 1.80 -1.14 0.00 0.00 0.00 175.10 175.88 2djt n ARG 19 N 4.82 0.00 0.00 2.72 0.63 -1.14 -4.83 116.66 118.86 2djt n ARG 19 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2djt n ARG 19 Cb 0.49 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.29 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 5.14 -1.41 3.07 5.14 0.00 -1.23 -4.92 105.19 110.98 2djt n GLY 20 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.94 -0.49 -1.21 1.61 6.14 -1.26 -4.88 117.35 116.32 2djt s TYR 21 Ca 0.00 1.06 -0.09 0.00 0.64 0.00 0.00 57.07 58.68 2djt s TYR 21 Cb 0.00 0.04 0.07 0.00 0.42 0.00 0.00 41.96 42.50 2djt s TYR 21 CO 0.00 -0.36 0.43 0.00 0.64 0.00 0.00 175.55 176.26 2djt n ALA 22 N 5.19 -1.05 0.00 3.97 0.00 -1.26 -4.66 120.51 122.70 2djt n ALA 22 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2djt n ALA 22 Cb 0.50 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 -1.09 2.12 0.00 0.00 0.00 -1.26 -4.84 105.19 100.13 2djt n GLY 23 Ca -0.01 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.26 0.00 -1.34 1.61 3.01 -1.26 -3.49 117.46 114.73 2djt n PHE 24 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 2djt n PHE 24 Cb 0.00 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.18 2djt n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2djt n GLY 25 N 1.50 0.87 3.73 1.37 0.00 -1.26 -4.05 105.19 107.35 2djt n GLY 25 Ca 0.06 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.85 4.04 0.20 0.99 2.96 -1.26 -1.43 118.68 122.33 2djt s LEU 26 Ca 0.00 0.23 0.09 0.00 -0.22 0.00 0.00 54.13 54.22 2djt s LEU 26 Cb 0.00 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2djt s LEU 26 CO 0.00 0.26 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.22 2djt s THR 27 N -0.11 1.92 -0.01 3.68 2.01 -1.17 -5.05 115.64 116.91 2djt s THR 27 Ca 0.08 -2.09 0.06 0.00 0.31 0.00 0.00 61.69 60.06 2djt s THR 27 Cb -0.12 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2djt s THR 27 CO 0.01 -0.40 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.58 2djt s LEU 28 N -2.99 2.05 0.10 4.42 1.43 -1.26 -1.78 118.68 120.65 2djt s LEU 28 Ca 0.20 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2djt s LEU 28 Cb -0.04 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2djt s LEU 28 CO 0.08 0.24 -0.24 -0.83 0.23 0.00 0.00 176.35 175.83 2djt s GLY 29 N -0.51 1.56 0.00 -3.19 0.00 -0.67 -4.79 107.32 99.71 2djt s GLY 29 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2djt s GLY 29 CO -0.01 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.40 2djt n GLY 30 N 1.19 0.70 4.75 0.20 0.00 -1.26 -3.10 105.19 107.67 2djt n GLY 30 Ca -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.15 3.44 -0.02 0.00 0.45 -4.72 105.19 104.49 2djt n GLY 31 Ca 0.00 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 3.07 0.21 1.61 6.06 -1.25 -0.18 118.95 128.47 2djt s ARG 32 Ca 0.00 -1.00 0.06 0.00 -2.50 0.00 0.00 55.73 52.29 2djt s ARG 32 Cb 0.00 -4.08 -0.04 0.00 0.06 0.00 0.00 34.95 30.90 2djt s ARG 32 CO 0.00 -1.07 0.20 -0.51 -2.50 0.00 0.00 175.30 171.43 2djt s ASP 33 N 2.43 5.67 0.35 -2.12 1.11 0.15 -4.43 116.67 119.83 2djt s ASP 33 Ca 0.11 -0.14 0.09 0.00 0.18 0.00 0.00 52.55 52.78 2djt s ASP 33 Cb -0.20 -1.50 0.66 0.00 1.07 0.00 0.00 42.92 42.94 2djt s ASP 33 CO 0.11 0.00 1.83 0.58 1.18 0.00 0.00 175.17 178.86 2djt h VAL 34 N 1.65 1.24 0.00 -1.27 2.07 -2.01 -3.06 116.25 114.87 2djt h VAL 34 Ca -0.49 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2djt h VAL 34 Cb 1.22 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2djt h VAL 34 CO 0.62 0.34 -0.03 0.00 0.02 0.00 0.00 177.57 178.51 2djt n ALA 35 N -2.48 2.19 -3.53 1.67 0.00 -1.26 -5.04 120.51 112.06 2djt n ALA 35 Ca -0.01 -2.25 -0.17 0.00 0.00 0.00 0.00 53.44 51.00 2djt n ALA 35 Cb 0.36 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.44 -0.55 -0.27 0.00 0.00 -1.16 -5.14 107.32 97.76 2djt s GLY 36 Ca 0.25 1.42 -0.00 0.00 0.00 0.00 0.00 44.72 46.38 2djt s GLY 36 CO 0.02 1.01 0.05 0.51 0.00 0.00 0.00 173.10 174.69 2djt s ASP 37 N -1.10 3.87 0.04 1.64 -4.77 -1.26 0.31 116.67 115.39 2djt s ASP 37 Ca -0.10 -1.44 0.03 0.00 -3.30 0.00 0.00 52.55 47.75 2djt s ASP 37 Cb -0.00 -0.97 -0.02 0.00 -1.09 0.00 0.00 42.92 40.83 2djt s ASP 37 CO 0.09 -0.35 -0.10 0.42 0.70 0.00 0.00 175.17 175.93 2djt s THR 38 N 1.53 0.74 0.04 2.11 -4.23 0.75 -5.00 115.64 111.57 2djt s THR 38 Ca 0.04 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 2djt s THR 38 Cb -0.18 -0.72 -0.06 0.00 1.34 0.00 0.00 72.50 72.87 2djt s THR 38 CO -0.16 -0.17 1.42 -2.16 -0.54 0.00 0.00 174.62 173.01 2djt s PRO 39 N -1.22 4.29 0.17 3.99 0.04 -1.26 -0.41 135.00 140.60 2djt s PRO 39 Ca -0.04 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 62.69 2djt s PRO 39 Cb -0.08 -3.49 -0.14 0.00 0.04 0.00 0.00 34.50 30.83 2djt s PRO 39 CO 0.01 -0.55 1.58 1.28 0.04 0.00 0.00 177.00 179.36 2djt n LEU 40 N 5.01 3.18 -3.68 -3.56 4.77 -1.26 -4.22 117.00 117.25 2djt n LEU 40 Ca 0.13 1.09 -0.14 0.00 -0.03 0.00 0.00 56.01 57.05 2djt n LEU 40 Cb 0.43 -1.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.00 2djt n LEU 40 CO 0.59 -0.26 0.22 0.00 -1.33 0.00 0.00 177.39 176.61 2djt s ALA 41 N 0.86 -1.31 0.17 -1.18 0.00 -1.18 -1.87 121.76 117.24 2djt s ALA 41 Ca 0.78 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 53.73 2djt s ALA 41 Cb -0.66 -0.61 -0.17 0.00 0.00 0.00 0.00 23.12 21.68 2djt s ALA 41 CO 0.38 -0.27 0.80 0.28 0.00 0.00 0.00 175.76 176.95 2djt n VAL 42 N 2.29 1.41 -0.00 0.00 0.31 -1.14 -1.68 118.33 119.52 2djt n VAL 42 Ca -0.15 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 63.81 2djt n VAL 42 Cb 0.56 -0.27 -0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 1.19 0.04 -4.43 5.55 0.00 -0.73 -2.12 116.66 116.16 2djt n ARG 43 Ca 0.17 0.02 -0.29 0.00 -0.00 0.00 0.00 57.85 57.74 2djt n ARG 43 Cb 0.22 -0.36 -0.13 0.00 0.00 0.00 0.00 32.46 32.20 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 -3.25 1.59 -0.29 5.14 0.00 -1.26 -4.77 107.32 104.48 2djt s GLY 44 Ca -0.02 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.31 2djt s GLY 44 CO 0.04 -1.37 -0.04 1.08 0.00 0.00 0.00 173.10 172.81 2djt s LEU 45 N -1.97 3.92 -0.21 0.66 1.43 -1.26 -3.06 118.68 118.18 2djt s LEU 45 Ca 0.15 -1.57 -0.31 0.00 -1.03 0.00 0.00 54.13 51.36 2djt s LEU 45 Cb -0.10 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 2djt s LEU 45 CO 0.07 -0.26 2.13 -0.11 0.23 0.00 0.00 176.35 178.41 2djt n LEU 46 N 4.44 3.04 -4.36 1.79 0.00 -0.51 -4.90 117.00 116.50 2djt n LEU 46 Ca -0.09 0.46 -0.34 0.00 0.00 0.00 0.00 56.01 56.03 2djt n LEU 46 Cb 0.42 -1.43 0.09 0.00 0.00 0.00 0.00 43.42 42.50 2djt n LEU 46 CO 0.23 -0.52 -0.26 1.17 0.00 0.00 0.00 177.39 178.01 2djt n LYS 47 N 8.11 -0.09 -2.63 1.96 3.00 -1.26 -1.92 118.16 125.34 2djt n LYS 47 Ca 0.31 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.50 2djt n LYS 47 Cb 0.35 -1.69 -0.00 0.00 0.00 0.00 0.00 35.03 33.69 2djt n LYS 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2djt n ASP 48 N -0.19 -3.52 -4.83 3.14 5.68 -1.26 -4.93 116.55 110.63 2djt n ASP 48 Ca 0.06 0.12 -0.24 0.00 -0.50 0.00 0.00 54.79 54.23 2djt n ASP 48 Cb 0.53 -2.99 -0.04 0.00 -1.14 0.00 0.00 41.12 37.48 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2djt s GLY 49 N -2.17 2.29 -0.00 6.12 0.00 -0.81 -4.99 107.32 107.77 2djt s GLY 49 Ca 0.08 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 42.78 2djt s GLY 49 CO 0.10 -1.85 1.29 -0.56 0.00 0.00 0.00 173.10 172.08 2djt h PRO 50 N 1.10 0.10 0.00 2.90 0.13 -1.85 0.12 132.00 134.51 2djt h PRO 50 Ca -0.41 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2djt h PRO 50 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2djt h PRO 50 CO 0.62 0.56 -0.27 0.00 -0.23 0.00 0.00 178.00 178.68 2djt h ALA 51 N 0.54 1.49 0.10 -0.56 0.00 -1.91 -0.53 119.26 118.39 2djt h ALA 51 Ca 0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 2djt h ALA 51 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2djt h ALA 51 CO 0.01 0.34 -1.40 0.37 0.00 0.00 0.00 179.25 178.57 2djt h GLN 52 N 0.00 0.21 -0.03 0.00 -0.00 -1.79 -3.20 115.11 110.30 2djt h GLN 52 Ca -0.00 -0.35 -0.02 0.00 -0.00 0.00 0.00 58.65 58.28 2djt h GLN 52 Cb 0.50 0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.11 2djt h GLN 52 CO 0.04 1.08 -0.05 0.00 0.00 0.00 0.00 178.83 179.90 2djt h ARG 53 N 0.06 0.08 -0.89 1.69 3.08 -0.48 -3.20 114.38 114.73 2djt h ARG 53 Ca -0.19 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 59.91 2djt h ARG 53 Cb 1.97 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.97 2djt h ARG 53 CO 0.16 0.63 0.57 0.00 -1.07 0.00 0.00 179.97 180.26 2djt n GLY 55 N -1.41 1.80 0.24 0.00 0.00 -1.21 -4.80 105.19 99.81 2djt n GLY 55 Ca 0.15 -0.07 0.24 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.04 -3.60 1.61 1.74 -1.26 -4.00 116.66 111.11 2djt n ARG 56 Ca 0.00 0.99 -0.37 0.00 -0.77 0.00 0.00 57.85 57.70 2djt n ARG 56 Cb 0.00 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.59 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 -9.17 4.33 0.08 0.55 1.43 -1.26 -5.09 118.68 109.55 2djt s LEU 57 Ca -0.06 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2djt s LEU 57 Cb 0.24 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2djt s LEU 57 CO 0.56 0.22 -0.07 -1.61 0.23 0.00 0.00 176.35 175.69 2djt s GLU 58 N -0.21 0.76 -0.27 1.70 2.02 -1.26 -4.85 118.70 116.60 2djt s GLU 58 Ca 0.18 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.67 2djt s GLU 58 Cb -0.14 -0.20 -0.03 0.00 0.10 0.00 0.00 34.13 33.86 2djt s GLU 58 CO 0.06 -0.01 1.86 0.08 0.02 0.00 0.00 175.26 177.27 2djt s VAL 59 N -3.19 3.40 0.00 2.63 1.01 -1.26 -2.13 120.40 120.86 2djt s VAL 59 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2djt s VAL 59 Cb 0.02 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2djt s VAL 59 CO -0.04 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.38 2djt n GLY 60 N 5.32 1.50 3.76 4.51 0.00 -0.90 -4.98 105.19 114.39 2djt n GLY 60 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 2djt n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2djt s ASP 61 N -1.83 5.75 -0.08 1.61 1.01 -0.90 -4.79 116.67 117.44 2djt s ASP 61 Ca 0.00 2.89 -0.16 0.00 0.71 0.00 0.00 52.55 55.99 2djt s ASP 61 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2djt s ASP 61 CO 0.00 -1.26 0.43 -0.76 0.21 0.00 0.00 175.17 173.78 2djt s LEU 62 N -2.89 4.35 -0.25 1.23 1.43 -1.26 -2.90 118.68 118.40 2djt s LEU 62 Ca 0.63 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 2djt s LEU 62 Cb -0.43 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2djt s LEU 62 CO 0.55 0.14 0.18 -0.69 0.23 0.00 0.00 176.35 176.76 2djt s VAL 63 N -0.08 5.34 -0.26 -1.59 1.01 -0.78 -3.13 120.40 120.91 2djt s VAL 63 Ca 0.24 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 2djt s VAL 63 Cb -0.15 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 2djt s VAL 63 CO 0.11 0.32 -0.24 0.18 0.00 0.00 0.00 175.10 175.47 2djt n LEU 64 N 4.43 2.08 -4.18 3.92 7.99 -0.81 -4.77 117.00 125.66 2djt n LEU 64 Ca -0.15 0.30 -0.16 0.00 -0.01 0.00 0.00 56.01 55.99 2djt n LEU 64 Cb 0.52 -0.86 -0.07 0.00 -0.11 0.00 0.00 43.42 42.90 2djt n LEU 64 CO 0.35 0.58 -0.03 -1.00 -1.51 0.00 0.00 177.39 175.78 2djt s HIS 65 N -2.49 1.32 -0.20 -1.77 3.76 -1.22 -3.71 115.29 110.98 2djt s HIS 65 Ca -0.37 -1.43 -0.10 0.00 -0.15 0.00 0.00 55.06 53.01 2djt s HIS 65 Cb 0.13 -0.41 0.07 0.00 1.11 0.00 0.00 32.58 33.48 2djt s HIS 65 CO 0.53 -0.93 0.48 0.42 -0.85 0.00 0.00 174.74 174.38 2djt s ILE 66 N -3.47 -0.11 -1.48 0.60 1.01 -0.07 -1.81 121.20 115.87 2djt s ILE 66 Ca 0.36 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 2djt s ILE 66 Cb 0.02 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.81 2djt s ILE 66 CO 0.21 0.03 0.42 0.59 0.00 0.00 0.00 174.94 176.20 2djt n ASN 67 N 4.43 -0.65 -1.54 3.58 3.02 0.73 0.99 115.26 125.81 2djt n ASN 67 Ca -0.21 -1.05 -0.19 0.00 -0.03 0.00 0.00 54.58 53.11 2djt n ASN 67 Cb 0.55 -2.78 -0.07 0.00 -0.61 0.00 0.00 39.78 36.87 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 -1.97 1.51 3.39 7.41 0.00 -1.26 -4.97 105.19 109.30 2djt n GLY 68 Ca -0.24 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.79 2.93 -0.18 1.61 2.56 0.28 -5.10 118.70 117.01 2djt s GLU 69 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 54.97 53.95 2djt s GLU 69 Cb 0.00 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.67 2djt s GLU 69 CO 0.00 0.39 1.02 -1.54 -0.56 0.00 0.00 175.26 174.57 2djt s SER 70 N -0.12 7.15 0.00 -1.70 1.04 -1.26 -0.90 113.70 117.91 2djt s SER 70 Ca -0.02 1.43 0.09 0.00 0.48 0.00 0.00 55.95 57.93 2djt s SER 70 Cb -0.14 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.75 2djt s SER 70 CO 0.04 -0.58 1.24 1.07 0.98 0.00 0.00 173.24 175.98 2djt n THR 71 N 5.03 0.26 0.30 2.02 5.66 -1.24 -4.04 114.28 122.26 2djt n THR 71 Ca 0.11 -0.27 0.18 0.00 -3.05 0.00 0.00 64.05 61.01 2djt n THR 71 Cb 0.47 0.14 0.94 0.00 -1.55 0.00 0.00 70.33 70.33 2djt n THR 71 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2djt h GLN 72 N 1.27 0.00 0.00 1.09 1.08 -1.91 -2.20 115.11 114.45 2djt h GLN 72 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 2djt h GLN 72 Cb 0.29 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.49 2djt h GLN 72 CO 0.00 0.00 -0.80 0.41 -0.95 0.00 0.00 178.83 177.49 2djt n GLY 73 N -1.17 1.28 3.25 3.46 0.00 -1.26 -5.06 105.19 105.68 2djt n GLY 73 Ca -0.02 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.33 2.41 0.82 0.99 1.43 -0.83 -5.09 118.68 118.08 2djt s LEU 74 Ca 0.24 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2djt s LEU 74 Cb 0.27 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 45.04 2djt s LEU 74 CO -0.10 0.08 1.19 0.42 0.23 0.00 0.00 176.35 178.17 2djt s THR 75 N 0.82 2.00 0.26 5.49 -4.23 -1.26 -4.55 115.64 114.18 2djt s THR 75 Ca -0.05 -0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.35 2djt s THR 75 Cb -0.15 -3.00 0.40 0.00 1.34 0.00 0.00 72.50 71.08 2djt s THR 75 CO -0.01 0.00 1.58 -0.74 -0.54 0.00 0.00 174.62 174.91 2djt h HIS 76 N -1.11 -0.51 -0.55 3.99 2.76 -1.86 0.54 115.15 118.40 2djt h HIS 76 Ca -0.46 0.08 0.04 0.00 -2.20 0.00 0.00 60.37 57.83 2djt h HIS 76 Cb 1.32 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 30.60 2djt h HIS 76 CO 0.16 -0.39 0.31 0.00 -1.30 0.00 0.00 177.93 176.70 2djt h ALA 77 N 1.88 0.72 0.59 5.26 0.00 -1.93 -2.25 119.26 123.53 2djt h ALA 77 Ca 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2djt h ALA 77 Cb 0.66 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2djt h ALA 77 CO -0.94 -0.01 -0.28 1.96 0.00 0.00 0.00 179.25 179.98 2djt h GLN 78 N 0.60 -0.77 0.00 0.00 1.08 -0.42 -1.35 115.11 114.25 2djt h GLN 78 Ca 0.24 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2djt h GLN 78 Cb 0.09 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2djt h GLN 78 CO -0.14 -0.46 0.35 0.00 -0.95 0.00 0.00 178.83 177.63 2djt h ALA 79 N -0.66 1.28 0.07 3.87 0.00 -0.55 0.32 119.26 123.59 2djt h ALA 79 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 2djt h ALA 79 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2djt h ALA 79 CO 0.13 -0.28 -1.99 0.28 0.00 0.00 0.00 179.25 177.39 2djt n VAL 80 N -2.33 1.69 -0.10 0.00 0.31 -0.86 -4.15 118.33 112.89 2djt n VAL 80 Ca -0.01 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.48 2djt n VAL 80 Cb 0.38 -1.45 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 2djt n VAL 80 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2djt h GLU 81 N 0.04 0.84 -0.59 5.55 4.11 0.68 -2.73 114.58 122.48 2djt h GLU 81 Ca -0.41 -0.48 0.17 0.00 0.07 0.00 0.00 59.36 58.71 2djt h GLU 81 Cb 2.03 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.29 2djt h GLU 81 CO 0.07 1.11 0.42 0.00 0.07 0.00 0.00 179.01 180.68 2djt h ARG 82 N 0.62 0.01 0.00 1.06 2.47 -1.37 0.13 114.38 117.30 2djt h ARG 82 Ca 0.04 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2djt h ARG 82 Cb 1.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2djt h ARG 82 CO 0.10 0.01 -0.00 0.82 0.56 0.00 0.00 179.97 181.45 2djt h ILE 83 N 0.01 1.41 -0.97 2.04 2.04 -1.68 -3.07 117.51 117.29 2djt h ILE 83 Ca 0.28 -2.06 0.07 0.00 1.00 0.00 0.00 64.86 64.16 2djt h ILE 83 Cb 1.11 2.67 -0.07 0.00 -0.74 0.00 0.00 36.82 39.79 2djt h ILE 83 CO -0.01 0.48 0.63 0.08 0.00 0.00 0.00 178.15 179.33 2djt h ARG 84 N -1.00 1.07 -0.18 2.37 0.11 -1.11 0.17 114.38 115.81 2djt h ARG 84 Ca -0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2djt h ARG 84 Cb 0.79 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2djt h ARG 84 CO 0.00 0.71 0.00 0.00 0.10 0.00 0.00 179.97 180.78 2djt n ALA 85 N -2.37 2.48 0.37 0.08 0.00 0.38 -3.90 120.51 117.56 2djt n ALA 85 Ca 0.15 -0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.33 2djt n ALA 85 Cb 0.22 -0.99 0.14 0.00 0.00 0.00 0.00 19.45 18.82 2djt n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 86 N 0.74 1.96 7.00 0.00 0.00 0.61 -5.02 105.19 110.48 2djt n GLY 86 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2djt n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djt n GLY 87 N 0.23 -0.21 0.23 -0.02 0.00 -1.25 -3.66 105.19 100.50 2djt n GLY 87 Ca 0.10 -1.04 0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 -6.03 1.61 0.13 -1.95 -3.44 132.00 122.33 2djt h PRO 88 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 2djt h PRO 88 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2djt h PRO 88 CO 0.00 0.22 -0.45 -0.65 -0.23 0.00 0.00 178.00 176.89 2djt s GLN 89 N -3.80 3.47 -0.06 0.86 1.11 -1.24 -2.88 119.66 117.12 2djt s GLN 89 Ca -0.00 -0.44 0.06 0.00 0.01 0.00 0.00 55.36 54.98 2djt s GLN 89 Cb 0.11 -2.97 -0.01 0.00 -1.01 0.00 0.00 33.01 29.13 2djt s GLN 89 CO 0.63 0.54 -0.25 -1.17 0.01 0.00 0.00 175.29 175.05 2djt s LEU 90 N -2.88 2.07 -0.25 2.90 0.20 -1.16 -4.67 118.68 114.88 2djt s LEU 90 Ca 0.36 -0.51 -0.00 0.00 0.69 0.00 0.00 54.13 54.66 2djt s LEU 90 Cb -0.12 -1.37 0.07 0.00 -0.43 0.00 0.00 46.19 44.35 2djt s LEU 90 CO 0.28 0.24 0.02 -2.28 -0.29 0.00 0.00 176.35 174.31 2djt s HIS 91 N -0.12 2.00 -0.16 5.38 2.46 -1.24 -3.37 115.29 120.24 2djt s HIS 91 Ca -0.05 -1.64 0.01 0.00 0.47 0.00 0.00 55.06 53.85 2djt s HIS 91 Cb -0.14 -1.60 0.02 0.00 -0.13 0.00 0.00 32.58 30.73 2djt s HIS 91 CO 0.04 -0.78 -0.19 -0.51 -2.47 0.00 0.00 174.74 170.83 2djt s LEU 92 N 1.52 2.05 -0.46 8.88 1.43 -1.11 -0.19 118.68 130.79 2djt s LEU 92 Ca 0.01 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 2djt s LEU 92 Cb -0.18 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.65 2djt s LEU 92 CO -0.12 0.01 0.86 -0.69 0.23 0.00 0.00 176.35 176.64 2djt s VAL 93 N 1.21 4.55 0.06 -1.59 1.01 -0.75 -1.39 120.40 123.49 2djt s VAL 93 Ca 0.02 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2djt s VAL 93 Cb -0.14 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2djt s VAL 93 CO -0.10 -0.80 -0.21 -0.63 0.00 0.00 0.00 175.10 173.36 2djt s ILE 94 N 3.56 2.59 -0.30 2.22 -1.09 -0.18 -1.92 121.20 126.08 2djt s ILE 94 Ca 0.33 -1.32 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2djt s ILE 94 Cb -0.11 -2.09 0.10 0.00 -1.58 0.00 0.00 42.46 38.78 2djt s ILE 94 CO 0.24 0.30 0.10 -0.60 -1.23 0.00 0.00 174.94 173.75 2djt s ARG 95 N -1.51 0.68 -0.34 2.79 3.52 -1.18 -0.84 118.95 122.07 2djt s ARG 95 Ca 0.14 -1.01 -0.35 0.00 -0.13 0.00 0.00 55.73 54.39 2djt s ARG 95 Cb -0.10 -1.94 -0.11 0.00 -1.56 0.00 0.00 34.95 31.24 2djt s ARG 95 CO 0.05 -0.97 2.20 -2.13 -0.81 0.00 0.00 175.30 173.63 2djt n ARG 96 N 4.88 1.15 0.00 5.12 0.63 -1.26 -4.56 116.66 122.62 2djt n ARG 96 Ca -0.03 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 2djt n ARG 96 Cb 0.42 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.80 2djt n ARG 96 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2djt n PRO 97 N 8.26 -0.76 -3.06 -0.14 -0.04 -1.26 -4.99 135.00 133.00 2djt n PRO 97 Ca 0.40 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.47 2djt n PRO 97 Cb 0.25 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.66 2djt n PRO 97 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2djt s LEU 98 N 0.00 4.36 -0.12 1.53 0.20 -1.26 -4.99 118.68 118.39 2djt s LEU 98 Ca 0.00 1.23 -0.08 0.00 0.69 0.00 0.00 54.13 55.96 2djt s LEU 98 Cb 0.00 -3.08 -0.06 0.00 -0.43 0.00 0.00 46.19 42.62 2djt s LEU 98 CO 0.00 -0.06 0.10 0.77 -0.29 0.00 0.00 176.35 176.87 2djt h SER 99 N 6.38 0.00 -5.00 3.68 4.64 -2.04 -3.51 113.55 117.70 2djt h SER 99 Ca -0.42 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2djt h SER 99 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2djt h SER 99 CO 0.74 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 178.02 2djt n GLY 100 N 1.69 2.63 3.70 -0.77 0.00 -1.26 -5.01 105.19 106.17 2djt n GLY 100 Ca -0.06 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.50 4.29 -0.02 1.61 0.04 -1.26 -5.02 135.00 131.14 2djt s PRO 101 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2djt s PRO 101 Cb 0.00 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2djt s PRO 101 CO 0.00 -0.53 0.03 -1.12 0.04 0.00 0.00 177.00 175.42 2djt s SER 102 N 1.64 5.33 -0.09 6.66 0.01 -1.26 -5.05 113.70 120.94 2djt s SER 102 Ca 0.65 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.95 2djt s SER 102 Cb -0.34 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2djt s SER 102 CO 0.28 0.30 0.12 -1.28 0.41 0.00 0.00 173.24 173.08 2djt h SER 103 N 4.43 -0.07 0.00 2.44 0.87 -2.06 -3.57 113.55 115.60 2djt h SER 103 Ca -0.49 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2djt h SER 103 Cb 1.18 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2djt h SER 103 CO 0.58 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.92