#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 -2.67 -4.83 1.61 7.64 -1.26 -4.93 113.62 109.17 2djt n SER 2 Ca 0.00 -0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.41 2djt n SER 2 Cb 0.00 -0.76 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 2djt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2djt s SER 3 N -1.61 5.99 0.00 6.43 0.15 -1.26 -5.00 113.70 118.40 2djt s SER 3 Ca 0.43 1.60 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2djt s SER 3 Cb -0.04 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2djt s SER 3 CO 0.55 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2djt n GLY 4 N -1.88 0.71 4.43 9.45 0.00 -1.26 -4.96 105.19 111.68 2djt n GLY 4 Ca 0.07 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 2djt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djt n SER 5 N 0.00 -1.43 -4.03 1.61 7.64 -1.26 -4.88 113.62 111.28 2djt n SER 5 Ca 0.00 -1.21 -0.31 0.00 1.01 0.00 0.00 58.87 58.35 2djt n SER 5 Cb 0.00 -1.55 -0.15 0.00 -1.01 0.00 0.00 64.21 61.50 2djt n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2djt s SER 6 N -3.32 4.59 0.00 6.43 0.01 -1.26 -4.81 113.70 115.33 2djt s SER 6 Ca 0.71 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2djt s SER 6 Cb -0.41 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2djt s SER 6 CO 0.99 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.95 2djt n GLY 7 N 4.35 0.00 3.51 3.44 0.00 -1.26 -5.09 105.19 110.15 2djt n GLY 7 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2djt n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2djt s GLN 8 N 0.00 1.93 -0.46 1.61 -0.21 -1.26 -5.12 119.66 116.15 2djt s GLN 8 Ca 0.00 -2.17 -0.18 0.00 0.02 0.00 0.00 55.36 53.03 2djt s GLN 8 Cb 0.00 -0.62 0.04 0.00 1.00 0.00 0.00 33.01 33.44 2djt s GLN 8 CO 0.00 -0.47 0.51 0.00 -2.12 0.00 0.00 175.29 173.21 2djt s ALA 9 N -3.21 3.43 0.09 6.09 0.00 -1.26 -5.04 121.76 121.87 2djt s ALA 9 Ca 0.24 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 2djt s ALA 9 Cb 0.03 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2djt s ALA 9 CO 0.15 -1.78 0.05 0.45 0.00 0.00 0.00 175.76 174.63 2djt s SER 10 N 2.28 0.34 0.08 0.00 0.15 -1.26 -5.06 113.70 110.23 2djt s SER 10 Ca 0.12 -1.01 0.05 0.00 0.70 0.00 0.00 55.95 55.81 2djt s SER 10 Cb -0.19 0.27 -0.23 0.00 -1.71 0.00 0.00 66.02 64.16 2djt s SER 10 CO 0.12 -0.69 1.15 1.23 1.20 0.00 0.00 173.24 176.25 2djt h GLY 11 N 2.95 0.07 -2.34 9.45 0.00 -2.00 -3.46 103.07 107.74 2djt h GLY 11 Ca -0.34 -0.19 -0.44 0.00 0.00 0.00 0.00 47.33 46.36 2djt h GLY 11 CO 0.61 0.16 -0.27 -2.38 0.00 0.00 0.00 176.54 174.66 2djt s HIS 12 N -2.68 2.70 0.29 5.60 0.00 -1.26 -4.73 115.29 115.20 2djt s HIS 12 Ca -0.01 -0.44 0.02 0.00 -3.00 0.00 0.00 55.06 51.63 2djt s HIS 12 Cb 0.09 -2.33 -0.04 0.00 -4.00 0.00 0.00 32.58 26.30 2djt s HIS 12 CO 0.83 -0.42 0.13 -0.59 -1.00 0.00 0.00 174.74 173.70 2djt s PHE 13 N -2.39 1.58 0.25 0.38 -0.12 -0.55 -5.00 117.98 112.13 2djt s PHE 13 Ca 0.54 -1.28 0.10 0.00 -0.05 0.00 0.00 56.93 56.24 2djt s PHE 13 Cb -0.09 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.37 2djt s PHE 13 CO 0.32 -0.43 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.45 2djt s SER 14 N -3.36 4.23 -0.09 1.98 1.04 -1.26 -1.81 113.70 114.44 2djt s SER 14 Ca 0.36 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.06 2djt s SER 14 Cb 0.06 -0.67 0.02 0.00 0.10 0.00 0.00 66.02 65.53 2djt s SER 14 CO 0.16 0.03 -0.10 -0.69 0.98 0.00 0.00 173.24 173.62 2djt s VAL 15 N -2.25 1.09 -0.18 5.02 1.01 -0.12 -4.93 120.40 120.03 2djt s VAL 15 Ca 0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2djt s VAL 15 Cb -0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2djt s VAL 15 CO 0.18 0.36 -0.01 -1.61 0.00 0.00 0.00 175.10 174.02 2djt s GLU 16 N 1.19 3.66 0.11 2.72 0.41 -1.25 -2.67 118.70 122.88 2djt s GLU 16 Ca -0.05 -0.51 0.04 0.00 -0.41 0.00 0.00 54.97 54.05 2djt s GLU 16 Cb -0.14 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 2djt s GLU 16 CO -0.03 0.12 -0.11 -0.51 -0.49 0.00 0.00 175.26 174.25 2djt s LEU 17 N 0.71 2.43 -0.26 1.80 1.43 -1.12 -4.75 118.68 118.92 2djt s LEU 17 Ca -0.01 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2djt s LEU 17 Cb -0.14 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.76 2djt s LEU 17 CO 0.02 -0.26 -0.04 -0.69 0.23 0.00 0.00 176.35 175.61 2djt s VAL 18 N -2.61 2.97 -0.46 -1.59 1.01 -1.26 -2.51 120.40 115.95 2djt s VAL 18 Ca 0.08 -1.08 -0.41 0.00 0.00 0.00 0.00 61.98 60.57 2djt s VAL 18 Cb -0.02 -2.55 -0.18 0.00 0.00 0.00 0.00 36.38 33.63 2djt s VAL 18 CO 0.00 0.12 1.92 -1.14 0.00 0.00 0.00 175.10 176.00 2djt n ARG 19 N 4.67 0.00 0.00 2.72 0.63 -1.20 -4.88 116.66 118.60 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 0.46 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 32.00 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 6.57 -0.61 0.28 5.14 0.00 -1.03 -4.96 105.19 110.58 2djt n GLY 20 Ca 0.48 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2djt n GLY 20 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2djt h TYR 21 N 0.00 -0.60 -3.10 1.61 5.03 -1.98 -3.40 116.97 114.53 2djt h TYR 21 Ca 0.00 -0.01 -0.62 0.00 2.58 0.00 0.00 58.73 60.68 2djt h TYR 21 Cb 0.00 0.20 -0.40 0.00 1.55 0.00 0.00 36.73 38.07 2djt h TYR 21 CO 0.00 -0.28 -0.70 0.00 -1.32 0.00 0.00 178.16 175.86 2djt s ALA 22 N -4.61 2.65 0.00 1.82 0.00 -1.26 -5.08 121.76 115.28 2djt s ALA 22 Ca -0.13 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 48.91 2djt s ALA 22 Cb 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2djt s ALA 22 CO 0.43 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2djt n GLY 23 N 3.23 -2.10 0.13 0.00 0.00 -1.26 -4.63 105.19 100.55 2djt n GLY 23 Ca 0.09 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.02 0.57 -0.41 1.61 3.01 -1.26 -2.46 117.46 118.51 2djt n PHE 24 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2djt n PHE 24 Cb 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 39.48 38.39 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 2.05 1.57 3.18 1.37 0.00 -1.26 -3.92 105.19 108.18 2djt n GLY 25 Ca -0.37 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 2.08 -0.03 0.99 2.96 -1.26 -0.52 118.68 122.90 2djt s LEU 26 Ca 0.00 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2djt s LEU 26 Cb 0.00 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 2djt s LEU 26 CO 0.00 0.11 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.02 2djt s THR 27 N 0.64 1.80 -0.01 3.68 2.01 -1.12 -5.04 115.64 117.60 2djt s THR 27 Ca -0.12 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 60.86 2djt s THR 27 Cb -0.16 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2djt s THR 27 CO 0.02 0.51 0.25 -0.76 -0.69 0.00 0.00 174.62 173.95 2djt s LEU 28 N -0.37 4.38 -0.29 4.42 1.43 -1.26 -0.57 118.68 126.41 2djt s LEU 28 Ca 0.04 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2djt s LEU 28 Cb -0.10 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.60 2djt s LEU 28 CO 0.01 0.27 -0.00 -0.83 0.23 0.00 0.00 176.35 176.03 2djt s GLY 29 N -1.63 1.60 0.00 -3.19 0.00 -0.22 -4.72 107.32 99.15 2djt s GLY 29 Ca 0.26 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2djt s GLY 29 CO 0.15 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.82 2djt n GLY 30 N 4.48 0.18 0.00 0.20 0.00 -1.26 -3.95 105.19 104.83 2djt n GLY 30 Ca -0.05 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.11 3.59 -0.02 0.00 0.14 -4.84 105.19 103.95 2djt n GLY 31 Ca 0.00 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.02 3.35 0.02 1.61 3.00 -1.12 -2.04 118.95 121.76 2djt s ARG 32 Ca 0.00 1.05 0.07 0.00 -1.00 0.00 0.00 55.73 55.86 2djt s ARG 32 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 34.95 30.78 2djt s ARG 32 CO 0.00 -1.84 -0.22 0.34 0.00 0.00 0.00 175.30 173.58 2djt s ASP 33 N 5.29 2.58 0.46 -2.12 -1.08 0.09 -4.28 116.67 117.62 2djt s ASP 33 Ca 0.68 -0.48 0.25 0.00 -0.52 0.00 0.00 52.55 52.48 2djt s ASP 33 Cb -0.17 -0.24 1.34 0.00 -1.46 0.00 0.00 42.92 42.39 2djt s ASP 33 CO 0.31 0.21 1.72 1.62 0.52 0.00 0.00 175.17 179.55 2djt h VAL 34 N 4.43 0.00 0.00 1.11 3.04 -2.03 0.45 116.25 123.25 2djt h VAL 34 Ca -0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2djt h VAL 34 Cb 1.15 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 2djt h VAL 34 CO 0.45 0.00 -1.57 0.00 -1.01 0.00 0.00 177.57 175.45 2djt n ALA 35 N -1.79 3.47 -3.64 3.17 0.00 -1.26 -4.97 120.51 115.50 2djt n ALA 35 Ca -0.02 -0.53 0.01 0.00 0.00 0.00 0.00 53.44 52.91 2djt n ALA 35 Cb 0.22 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.96 0.47 -0.36 0.00 0.00 0.16 -5.13 107.32 98.51 2djt s GLY 36 Ca -0.02 3.67 -0.19 0.00 0.00 0.00 0.00 44.72 48.18 2djt s GLY 36 CO 0.88 2.74 0.57 0.51 0.00 0.00 0.00 173.10 177.80 2djt s ASP 37 N 1.14 6.36 0.01 1.64 -4.77 -1.24 -0.73 116.67 119.07 2djt s ASP 37 Ca -0.08 0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 2djt s ASP 37 Cb -0.03 -2.29 -0.01 0.00 -1.09 0.00 0.00 42.92 39.50 2djt s ASP 37 CO -0.11 -0.54 -0.02 0.42 0.70 0.00 0.00 175.17 175.62 2djt s THR 38 N 2.53 0.09 -0.20 2.11 -4.23 -0.86 -4.95 115.64 110.13 2djt s THR 38 Ca 0.21 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 2djt s THR 38 Cb -0.15 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 2djt s THR 38 CO 0.14 -0.19 1.60 -2.16 -0.54 0.00 0.00 174.62 173.47 2djt s PRO 39 N -0.61 3.86 0.01 3.99 0.04 -1.26 -0.68 135.00 140.35 2djt s PRO 39 Ca -0.06 1.71 -0.38 0.00 0.04 0.00 0.00 61.00 62.31 2djt s PRO 39 Cb -0.04 -4.01 -0.18 0.00 0.04 0.00 0.00 34.50 30.31 2djt s PRO 39 CO -0.00 -1.22 1.30 1.28 0.04 0.00 0.00 177.00 178.40 2djt n LEU 40 N 8.21 1.19 -3.72 -3.56 4.77 -1.26 -4.37 117.00 118.26 2djt n LEU 40 Ca 0.18 1.13 -0.14 0.00 -0.03 0.00 0.00 56.01 57.16 2djt n LEU 40 Cb 0.45 -1.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.35 2djt n LEU 40 CO 0.64 -1.25 0.10 0.00 -1.33 0.00 0.00 177.39 175.55 2djt s ALA 41 N 0.65 -1.01 0.16 -1.18 0.00 -1.25 -1.43 121.76 117.69 2djt s ALA 41 Ca 0.88 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 53.36 2djt s ALA 41 Cb -1.08 -0.31 -0.16 0.00 0.00 0.00 0.00 23.12 21.58 2djt s ALA 41 CO 0.52 -0.24 1.13 0.28 0.00 0.00 0.00 175.76 177.45 2djt n VAL 42 N 2.01 0.86 -0.00 0.00 0.31 -0.83 -1.05 118.33 119.63 2djt n VAL 42 Ca -0.17 -0.21 -0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2djt n VAL 42 Cb 0.57 -0.74 -0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 1.72 0.00 -4.40 5.55 0.00 0.26 -2.00 116.66 117.80 2djt n ARG 43 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.72 2djt n ARG 43 Cb 0.23 -0.29 -0.13 0.00 0.00 0.00 0.00 32.46 32.27 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 -3.01 1.61 -0.25 5.14 0.00 -1.17 -4.68 107.32 104.97 2djt s GLY 44 Ca -0.00 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.23 2djt s GLY 44 CO 0.00 -1.50 -0.11 1.08 0.00 0.00 0.00 173.10 172.57 2djt s LEU 45 N -2.20 3.32 -0.48 0.66 1.43 -1.26 -2.81 118.68 117.34 2djt s LEU 45 Ca 0.16 -1.30 -0.32 0.00 -1.03 0.00 0.00 54.13 51.64 2djt s LEU 45 Cb -0.10 -1.55 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 2djt s LEU 45 CO 0.07 -0.17 2.32 -0.11 0.23 0.00 0.00 176.35 178.69 2djt n LEU 46 N 4.47 1.90 -4.54 1.79 -0.00 0.32 -4.84 117.00 116.10 2djt n LEU 46 Ca -0.15 0.17 -0.45 0.00 -0.00 0.00 0.00 56.01 55.58 2djt n LEU 46 Cb 0.43 -1.28 -0.02 0.00 -0.00 0.00 0.00 43.42 42.55 2djt n LEU 46 CO 0.22 -0.91 0.42 1.17 -0.00 0.00 0.00 177.39 178.29 2djt n LYS 47 N 8.44 1.01 -3.71 1.96 0.00 -1.26 -1.72 118.16 122.88 2djt n LYS 47 Ca 0.44 0.35 -0.23 0.00 0.00 0.00 0.00 58.31 58.87 2djt n LYS 47 Cb 0.27 -1.63 0.04 0.00 0.00 0.00 0.00 35.03 33.71 2djt n LYS 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2djt n ASP 48 N 1.40 -2.84 -4.38 3.14 8.00 -1.26 -4.99 116.55 115.61 2djt n ASP 48 Ca 0.12 -0.75 -0.29 0.00 0.71 0.00 0.00 54.79 54.58 2djt n ASP 48 Cb 0.31 -4.26 -0.08 0.00 -0.02 0.00 0.00 41.12 37.06 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2djt s GLY 49 N -3.96 2.79 0.41 0.44 0.00 -0.70 -5.03 107.32 101.27 2djt s GLY 49 Ca 0.25 -0.89 0.20 0.00 0.00 0.00 0.00 44.72 44.28 2djt s GLY 49 CO 0.80 -1.99 1.83 -0.56 0.00 0.00 0.00 173.10 173.18 2djt h PRO 50 N 1.60 0.00 0.15 2.90 0.13 -1.85 -2.36 132.00 132.57 2djt h PRO 50 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2djt h PRO 50 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2djt h PRO 50 CO 0.64 0.30 -0.07 0.00 -0.23 0.00 0.00 178.00 178.64 2djt h ALA 51 N 1.70 -0.26 -0.56 -0.56 0.00 -1.87 -2.81 119.26 114.89 2djt h ALA 51 Ca -0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2djt h ALA 51 Cb 0.72 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2djt h ALA 51 CO 0.04 -0.25 0.14 0.37 0.00 0.00 0.00 179.25 179.55 2djt h GLN 52 N -0.76 0.28 -0.31 0.00 4.15 -1.79 0.44 115.11 117.12 2djt h GLN 52 Ca -0.02 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.41 2djt h GLN 52 Cb 0.15 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2djt h GLN 52 CO 0.03 0.18 0.21 0.00 -1.93 0.00 0.00 178.83 177.33 2djt h ARG 53 N 0.29 0.29 -0.81 1.69 3.08 -1.56 -1.54 114.38 115.82 2djt h ARG 53 Ca 0.29 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.35 2djt h ARG 53 Cb 0.39 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2djt h ARG 53 CO -0.35 0.19 0.53 0.00 -1.07 0.00 0.00 179.97 179.28 2djt n GLY 55 N -1.41 1.15 0.34 0.00 0.00 -0.58 -4.71 105.19 99.98 2djt n GLY 55 Ca 0.10 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2djt n GLY 55 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2djt h ARG 56 N 0.00 0.58 -5.46 1.61 -0.00 -1.87 -3.37 114.38 105.88 2djt h ARG 56 Ca 0.00 -0.04 -0.61 0.00 -0.50 0.00 0.00 59.98 58.84 2djt h ARG 56 Cb 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 29.97 29.72 2djt h ARG 56 CO 0.00 0.39 0.04 -0.51 0.00 0.00 0.00 179.97 179.89 2djt s LEU 57 N -10.36 4.08 0.01 3.04 1.43 -1.26 -5.02 118.68 110.59 2djt s LEU 57 Ca -0.11 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2djt s LEU 57 Cb 0.26 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2djt s LEU 57 CO 0.79 -0.29 -0.03 -1.61 0.23 0.00 0.00 176.35 175.45 2djt s GLU 58 N 2.21 0.22 -0.40 1.70 2.02 -1.26 -4.76 118.70 118.44 2djt s GLU 58 Ca 0.24 -0.35 -0.40 0.00 0.02 0.00 0.00 54.97 54.48 2djt s GLU 58 Cb -0.16 -0.02 -0.15 0.00 0.10 0.00 0.00 34.13 33.90 2djt s GLU 58 CO 0.09 -0.00 2.05 0.28 0.02 0.00 0.00 175.26 177.69 2djt n VAL 59 N 2.29 0.14 0.00 2.63 0.31 -1.26 -0.67 118.33 121.76 2djt n VAL 59 Ca -0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2djt n VAL 59 Cb 0.57 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 2djt n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2djt n GLY 60 N 6.24 1.95 3.53 2.92 0.00 -0.84 -4.99 105.19 113.99 2djt n GLY 60 Ca 0.42 -0.61 -0.54 0.00 0.00 0.00 0.00 46.02 45.30 2djt n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2djt n ASP 61 N 0.00 0.51 -4.80 1.61 8.00 0.16 -4.61 116.55 117.42 2djt n ASP 61 Ca 0.00 1.14 -0.38 0.00 0.71 0.00 0.00 54.79 56.26 2djt n ASP 61 Cb 0.00 -1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 39.99 2djt n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2djt s LEU 62 N 0.62 4.45 -0.16 0.64 1.43 -1.26 -1.96 118.68 122.44 2djt s LEU 62 Ca 0.82 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.89 2djt s LEU 62 Cb -1.06 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2djt s LEU 62 CO 0.53 0.23 0.08 -0.69 0.23 0.00 0.00 176.35 176.74 2djt s VAL 63 N -0.68 5.00 -0.11 -1.59 1.01 -0.51 -2.28 120.40 121.23 2djt s VAL 63 Ca 0.26 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.38 2djt s VAL 63 Cb -0.17 -3.23 -0.15 0.00 0.00 0.00 0.00 36.38 32.83 2djt s VAL 63 CO 0.15 0.50 0.06 0.18 0.00 0.00 0.00 175.10 175.99 2djt n LEU 64 N 3.09 0.00 -3.90 3.92 4.77 -0.89 -4.67 117.00 119.32 2djt n LEU 64 Ca -0.17 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 2djt n LEU 64 Cb 0.53 0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 2djt n LEU 64 CO 0.34 0.26 0.24 -1.00 -1.33 0.00 0.00 177.39 175.91 2djt s HIS 65 N -2.33 0.14 -0.17 -1.77 3.76 -1.23 -4.20 115.29 109.49 2djt s HIS 65 Ca -0.06 -0.52 -0.10 0.00 -0.15 0.00 0.00 55.06 54.23 2djt s HIS 65 Cb 0.04 0.32 0.05 0.00 1.11 0.00 0.00 32.58 34.10 2djt s HIS 65 CO 0.48 -1.00 0.41 0.42 -0.85 0.00 0.00 174.74 174.20 2djt s ILE 66 N -3.96 -0.02 -1.41 0.60 1.01 -1.23 -1.71 121.20 114.48 2djt s ILE 66 Ca 0.17 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 2djt s ILE 66 Cb -0.01 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 41.89 2djt s ILE 66 CO 0.05 0.03 0.95 0.59 0.00 0.00 0.00 174.94 176.56 2djt n ASN 67 N 3.95 -3.84 -1.81 3.58 5.03 0.99 -0.82 115.26 122.34 2djt n ASN 67 Ca -0.21 -0.73 -0.17 0.00 0.87 0.00 0.00 54.58 54.34 2djt n ASN 67 Cb 0.56 -4.27 -0.05 0.00 -1.02 0.00 0.00 39.78 35.00 2djt n ASN 67 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2djt n GLY 68 N -1.67 0.93 3.91 7.41 0.00 -1.26 -4.95 105.19 109.56 2djt n GLY 68 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2djt n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2djt s GLU 69 N -3.99 2.27 -0.34 1.61 2.02 -0.00 -5.11 118.70 115.16 2djt s GLU 69 Ca 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 54.97 52.98 2djt s GLU 69 Cb 0.00 -2.15 0.06 0.00 0.10 0.00 0.00 34.13 32.14 2djt s GLU 69 CO 0.00 -0.59 0.10 -1.12 0.02 0.00 0.00 175.26 173.67 2djt s SER 70 N -4.29 5.20 0.00 -0.19 0.01 -1.26 -3.53 113.70 109.64 2djt s SER 70 Ca 0.37 -1.36 0.02 0.00 1.31 0.00 0.00 55.95 56.29 2djt s SER 70 Cb -0.02 -1.82 0.14 0.00 0.21 0.00 0.00 66.02 64.53 2djt s SER 70 CO 0.23 -0.36 1.00 1.07 0.41 0.00 0.00 173.24 175.58 2djt n THR 71 N 4.72 0.00 0.26 1.44 5.66 -1.26 -3.70 114.28 121.40 2djt n THR 71 Ca -0.11 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.98 2djt n THR 71 Cb 0.43 -0.09 0.68 0.00 -1.55 0.00 0.00 70.33 69.80 2djt n THR 71 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2djt h GLN 72 N 0.00 0.00 0.00 1.09 4.15 -1.92 -2.80 115.11 115.62 2djt h GLN 72 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2djt h GLN 72 Cb 0.00 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.59 2djt h GLN 72 CO 0.00 0.03 -0.52 0.41 -1.93 0.00 0.00 178.83 176.82 2djt n GLY 73 N -1.40 3.43 3.19 2.39 0.00 -1.24 -5.02 105.19 106.53 2djt n GLY 73 Ca -0.03 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.92 2.28 1.01 0.99 1.43 -1.06 -5.08 118.68 116.33 2djt s LEU 74 Ca 0.30 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 2djt s LEU 74 Cb 0.30 -1.51 0.21 0.00 0.03 0.00 0.00 46.19 45.22 2djt s LEU 74 CO -0.06 0.04 1.27 0.42 0.23 0.00 0.00 176.35 178.25 2djt s THR 75 N 1.06 1.91 0.21 5.49 -4.23 -1.26 -4.58 115.64 114.26 2djt s THR 75 Ca -0.01 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 2djt s THR 75 Cb -0.14 -2.89 0.17 0.00 1.34 0.00 0.00 72.50 70.98 2djt s THR 75 CO -0.06 0.00 1.70 -0.74 -0.54 0.00 0.00 174.62 174.98 2djt h HIS 76 N -1.82 0.19 -0.17 3.99 2.76 -1.89 0.16 115.15 118.37 2djt h HIS 76 Ca -0.45 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 2djt h HIS 76 Cb 1.25 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 2djt h HIS 76 CO -1.29 -0.05 0.08 0.00 -1.30 0.00 0.00 177.93 175.37 2djt h ALA 77 N 1.50 0.22 0.83 5.26 0.00 -1.94 -2.48 119.26 122.65 2djt h ALA 77 Ca 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2djt h ALA 77 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2djt h ALA 77 CO -0.43 -0.22 -0.46 1.96 0.00 0.00 0.00 179.25 180.10 2djt h GLN 78 N 0.14 -1.15 -0.78 0.00 1.08 -1.65 -2.17 115.11 110.57 2djt h GLN 78 Ca 0.06 0.08 0.14 0.00 -1.45 0.00 0.00 58.65 57.48 2djt h GLN 78 Cb 0.12 0.26 -0.14 0.00 -0.05 0.00 0.00 27.48 27.67 2djt h GLN 78 CO -0.01 -0.77 -0.28 0.00 -0.95 0.00 0.00 178.83 176.82 2djt h ALA 79 N -1.10 0.28 -0.98 3.87 0.00 -0.74 0.43 119.26 121.03 2djt h ALA 79 Ca -0.11 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2djt h ALA 79 Cb 0.94 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 2djt h ALA 79 CO 0.14 -0.53 0.61 0.28 0.00 0.00 0.00 179.25 179.75 2djt h VAL 80 N -0.05 0.95 0.00 0.00 2.07 -1.31 0.20 116.25 118.12 2djt h VAL 80 Ca 0.33 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2djt h VAL 80 Cb 0.58 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2djt h VAL 80 CO -0.82 0.18 0.00 -0.08 0.02 0.00 0.00 177.57 176.88 2djt h GLU 81 N 1.00 0.00 0.12 1.57 4.81 0.49 -2.40 114.58 120.18 2djt h GLU 81 Ca 0.47 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.44 2djt h GLU 81 Cb 0.40 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.81 2djt h GLU 81 CO -0.24 0.00 -1.10 0.00 -0.73 0.00 0.00 179.01 176.94 2djt h ARG 82 N 0.00 0.52 -0.08 1.92 2.47 0.17 -2.87 114.38 116.52 2djt h ARG 82 Ca 0.00 -0.73 -0.02 0.00 -1.26 0.00 0.00 59.98 57.97 2djt h ARG 82 Cb 0.24 0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2djt h ARG 82 CO 0.00 1.32 -0.02 0.82 0.56 0.00 0.00 179.97 182.65 2djt h ILE 83 N 0.08 1.30 -0.37 2.04 2.04 -1.19 0.82 117.51 122.23 2djt h ILE 83 Ca -0.17 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.77 2djt h ILE 83 Cb 1.81 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 39.64 2djt h ILE 83 CO 0.21 0.27 0.15 0.08 0.00 0.00 0.00 178.15 178.86 2djt h ARG 84 N -0.19 0.31 0.00 2.37 0.11 -1.57 -1.24 114.38 114.16 2djt h ARG 84 Ca 0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2djt h ARG 84 Cb 0.43 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2djt h ARG 84 CO 0.01 0.20 0.00 0.00 0.10 0.00 0.00 179.97 180.28 2djt h ALA 85 N 1.22 1.00 -1.68 0.08 0.00 -1.51 -3.25 119.26 115.12 2djt h ALA 85 Ca 0.16 0.00 0.50 0.00 0.00 0.00 0.00 54.91 55.57 2djt h ALA 85 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 2djt h ALA 85 CO -0.15 0.00 1.19 0.78 0.00 0.00 0.00 179.25 181.07 2djt h GLY 86 N 2.75 0.30 0.00 0.00 0.00 0.45 -3.47 103.07 103.10 2djt h GLY 86 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2djt h GLY 86 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.06 2djt n GLY 87 N -1.81 -0.17 0.17 4.60 0.00 -1.23 -4.56 105.19 102.19 2djt n GLY 87 Ca 0.39 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 44.45 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 -5.58 1.61 0.13 -1.91 -3.43 132.00 122.81 2djt h PRO 88 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2djt h PRO 88 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 2djt h PRO 88 CO 0.00 0.45 -0.63 -0.65 -0.23 0.00 0.00 178.00 176.94 2djt s GLN 89 N -3.91 3.43 -0.16 0.86 -0.21 -1.26 -3.26 119.66 115.16 2djt s GLN 89 Ca -0.02 -0.45 -0.07 0.00 0.02 0.00 0.00 55.36 54.84 2djt s GLN 89 Cb 0.13 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2djt s GLN 89 CO 0.73 0.44 0.10 -1.17 -2.12 0.00 0.00 175.29 173.27 2djt s LEU 90 N -0.15 4.09 -0.18 2.90 0.20 -1.04 -4.83 118.68 119.66 2djt s LEU 90 Ca 0.04 0.25 -0.01 0.00 0.69 0.00 0.00 54.13 55.11 2djt s LEU 90 Cb -0.13 -2.02 0.05 0.00 -0.43 0.00 0.00 46.19 43.66 2djt s LEU 90 CO 0.02 0.27 -0.04 -2.28 -0.29 0.00 0.00 176.35 174.03 2djt s HIS 91 N -0.19 1.77 -0.06 5.38 2.46 -1.24 -2.78 115.29 120.63 2djt s HIS 91 Ca 0.09 -1.20 0.04 0.00 0.47 0.00 0.00 55.06 54.46 2djt s HIS 91 Cb -0.12 -1.34 -0.00 0.00 -0.13 0.00 0.00 32.58 31.00 2djt s HIS 91 CO 0.01 -0.65 -0.18 -0.51 -2.47 0.00 0.00 174.74 170.94 2djt s LEU 92 N 1.61 1.91 -0.40 8.88 1.43 -1.09 -0.01 118.68 131.01 2djt s LEU 92 Ca -0.01 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 2djt s LEU 92 Cb -0.16 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2djt s LEU 92 CO -0.07 0.14 0.37 -0.69 0.23 0.00 0.00 176.35 176.32 2djt s VAL 93 N 0.17 5.17 0.10 -1.59 1.01 -0.69 -0.94 120.40 123.63 2djt s VAL 93 Ca -0.08 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2djt s VAL 93 Cb -0.13 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2djt s VAL 93 CO 0.04 -0.31 -0.21 -0.63 0.00 0.00 0.00 175.10 173.98 2djt s ILE 94 N 1.93 2.61 -0.05 2.22 -1.09 -0.75 -2.09 121.20 123.99 2djt s ILE 94 Ca 0.09 -1.51 -0.01 0.00 -2.23 0.00 0.00 60.65 56.99 2djt s ILE 94 Cb -0.18 -2.16 0.03 0.00 -1.58 0.00 0.00 42.46 38.58 2djt s ILE 94 CO 0.12 0.16 0.04 -0.60 -1.23 0.00 0.00 174.94 173.43 2djt s ARG 95 N -1.92 0.12 -0.04 2.79 3.52 -0.97 -1.49 118.95 120.97 2djt s ARG 95 Ca 0.16 0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.73 2djt s ARG 95 Cb -0.10 -0.60 -0.05 0.00 -1.56 0.00 0.00 34.95 32.64 2djt s ARG 95 CO 0.07 -0.30 1.48 0.50 -0.81 0.00 0.00 175.30 176.24 2djt s ARG 96 N 1.95 4.23 1.20 5.12 6.06 -1.26 -4.15 118.95 132.10 2djt s ARG 96 Ca 0.03 2.01 -0.19 0.00 -2.50 0.00 0.00 55.73 55.07 2djt s ARG 96 Cb -0.12 -3.75 0.29 0.00 0.06 0.00 0.00 34.95 31.42 2djt s ARG 96 CO -0.03 -0.70 1.11 -1.25 -2.50 0.00 0.00 175.30 171.92 2djt s PRO 97 N 3.17 -1.21 -0.28 5.12 0.04 -1.26 -4.98 135.00 135.59 2djt s PRO 97 Ca 0.66 -0.06 0.10 0.00 0.04 0.00 0.00 61.00 61.74 2djt s PRO 97 Cb -0.31 -1.60 0.51 0.00 0.04 0.00 0.00 34.50 33.15 2djt s PRO 97 CO 0.26 -3.71 1.48 1.47 0.04 0.00 0.00 177.00 176.54 2djt n LEU 98 N -4.76 4.19 -1.79 -3.56 -0.00 -1.26 -4.71 117.00 105.12 2djt n LEU 98 Ca 0.13 -3.68 -0.14 0.00 -0.00 0.00 0.00 56.01 52.32 2djt n LEU 98 Cb 0.59 -0.63 0.05 0.00 -0.00 0.00 0.00 43.42 43.43 2djt n LEU 98 CO 0.45 1.18 1.12 -0.24 -0.00 0.00 0.00 177.39 179.90 2djt n SER 99 N -1.06 5.62 0.00 1.45 2.88 -1.26 -4.86 113.62 116.39 2djt n SER 99 Ca 0.33 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2djt n SER 99 Cb 1.04 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2djt n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djt n GLY 100 N 0.25 4.99 3.77 0.46 0.00 -1.26 -5.14 105.19 108.25 2djt n GLY 100 Ca 0.28 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 1.19 4.07 -0.06 1.61 0.04 -1.26 -4.97 135.00 135.62 2djt s PRO 101 Ca 0.00 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 2djt s PRO 101 Cb 0.00 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 2djt s PRO 101 CO 0.00 -0.32 -0.07 0.45 0.04 0.00 0.00 177.00 177.10 2djt n SER 102 N 0.14 1.58 -4.66 6.66 2.88 -1.26 -4.99 113.62 113.98 2djt n SER 102 Ca 0.04 0.03 -0.43 0.00 -1.33 0.00 0.00 58.87 57.19 2djt n SER 102 Cb 0.46 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.75 2djt n SER 102 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2djt s SER 103 N -5.17 6.94 0.00 -3.46 1.04 -1.26 -5.30 113.70 106.49 2djt s SER 103 Ca -0.08 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2djt s SER 103 Cb 0.03 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2djt s SER 103 CO 0.11 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.18