#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 -0.06 0.04 1.61 0.15 -1.26 -5.07 113.70 109.11 2djt s SER 2 Ca 0.00 -0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.35 2djt s SER 2 Cb 0.00 0.26 -0.17 0.00 -1.71 0.00 0.00 66.02 64.40 2djt s SER 2 CO 0.00 -0.35 1.51 -1.28 1.20 0.00 0.00 173.24 174.31 2djt h SER 3 N 4.35 -0.09 -4.46 5.45 0.87 -2.13 -3.49 113.55 114.05 2djt h SER 3 Ca -0.30 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2djt h SER 3 Cb 1.19 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2djt h SER 3 CO 0.40 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.44 2djt n GLY 4 N -0.57 -2.82 3.12 5.77 0.00 -1.26 -5.01 105.19 104.42 2djt n GLY 4 Ca -0.08 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 2djt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djt s SER 5 N -2.03 -0.31 0.33 1.61 0.01 -1.26 -5.17 113.70 106.89 2djt s SER 5 Ca 0.00 0.59 0.08 0.00 1.31 0.00 0.00 55.95 57.93 2djt s SER 5 Cb 0.00 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 2djt s SER 5 CO 0.00 -0.15 0.17 -0.55 0.41 0.00 0.00 173.24 173.12 2djt s SER 6 N 0.95 4.82 0.56 2.44 0.15 -1.26 -5.14 113.70 116.21 2djt s SER 6 Ca -0.07 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 55.91 2djt s SER 6 Cb -0.08 -0.80 0.09 0.00 -1.71 0.00 0.00 66.02 63.53 2djt s SER 6 CO -0.07 -0.29 0.67 0.61 1.20 0.00 0.00 173.24 175.36 2djt n GLY 7 N -1.19 1.17 0.12 9.45 0.00 -1.26 -5.06 105.19 108.42 2djt n GLY 7 Ca -0.03 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 2djt n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2djt n GLN 8 N -2.17 0.59 -0.81 1.61 0.00 -1.26 -4.35 117.38 110.99 2djt n GLN 8 Ca 0.12 0.41 -0.12 0.00 -0.00 0.00 0.00 57.00 57.41 2djt n GLN 8 Cb 0.43 -1.63 0.01 0.00 0.00 0.00 0.00 30.24 29.05 2djt n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2djt n ALA 9 N -3.71 4.88 -0.34 1.69 0.00 -1.26 -4.57 120.51 117.20 2djt n ALA 9 Ca -0.42 -1.21 0.22 0.00 0.00 0.00 0.00 53.44 52.03 2djt n ALA 9 Cb 0.81 -1.33 0.48 0.00 0.00 0.00 0.00 19.45 19.41 2djt n ALA 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2djt h SER 10 N 1.46 0.50 0.00 0.00 4.64 -2.00 -3.45 113.55 114.71 2djt h SER 10 Ca 0.20 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2djt h SER 10 Cb 0.95 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2djt h SER 10 CO 0.51 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 2djt n GLY 11 N -1.42 1.85 3.84 -0.77 0.00 -1.26 -4.97 105.19 102.46 2djt n GLY 11 Ca 0.27 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 3.55 0.29 1.61 -3.43 -1.26 -4.78 115.29 111.14 2djt s HIS 12 Ca 0.00 1.21 0.09 0.00 -0.80 0.00 0.00 55.06 55.55 2djt s HIS 12 Cb 0.00 -2.50 -0.06 0.00 -1.43 0.00 0.00 32.58 28.60 2djt s HIS 12 CO 0.00 0.30 -0.10 -0.59 -2.00 0.00 0.00 174.74 172.34 2djt s PHE 13 N -1.65 2.12 0.28 0.38 -0.71 -0.87 -4.98 117.98 112.56 2djt s PHE 13 Ca 0.45 -0.56 0.07 0.00 -1.04 0.00 0.00 56.93 55.85 2djt s PHE 13 Cb -0.14 -1.14 -0.03 0.00 -1.21 0.00 0.00 43.02 40.50 2djt s PHE 13 CO 0.20 0.46 0.24 -1.54 -1.34 0.00 0.00 175.22 173.23 2djt s SER 14 N -3.49 5.51 -0.18 1.98 1.04 -1.26 -0.95 113.70 116.36 2djt s SER 14 Ca 0.30 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.43 2djt s SER 14 Cb 0.01 -1.30 0.03 0.00 0.10 0.00 0.00 66.02 64.87 2djt s SER 14 CO 0.13 -0.14 -0.13 -0.69 0.98 0.00 0.00 173.24 173.39 2djt s VAL 15 N -2.18 1.66 -0.22 5.02 1.01 -0.02 -4.91 120.40 120.76 2djt s VAL 15 Ca 0.36 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2djt s VAL 15 Cb -0.07 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 2djt s VAL 15 CO 0.26 0.32 -0.03 -0.70 0.00 0.00 0.00 175.10 174.95 2djt s GLU 16 N 1.42 3.43 0.11 2.72 2.12 -1.25 -3.07 118.70 124.18 2djt s GLU 16 Ca 0.02 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.76 2djt s GLU 16 Cb -0.15 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2djt s GLU 16 CO -0.10 -0.17 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.91 2djt s LEU 17 N 1.42 2.37 -0.17 2.70 1.43 -1.22 -4.97 118.68 120.25 2djt s LEU 17 Ca 0.05 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2djt s LEU 17 Cb -0.14 0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 2djt s LEU 17 CO -0.02 -0.53 -0.12 -0.69 0.23 0.00 0.00 176.35 175.23 2djt s VAL 18 N -3.71 2.96 -0.71 -1.59 1.01 -1.26 -2.48 120.40 114.60 2djt s VAL 18 Ca 0.14 -0.66 -0.35 0.00 0.00 0.00 0.00 61.98 61.11 2djt s VAL 18 Cb 0.06 -2.28 -0.18 0.00 0.00 0.00 0.00 36.38 33.98 2djt s VAL 18 CO -0.03 0.49 2.44 -1.14 0.00 0.00 0.00 175.10 176.86 2djt n ARG 19 N 4.14 0.26 0.06 2.72 0.63 -1.24 -4.83 116.66 118.40 2djt n ARG 19 Ca -0.19 0.04 -0.03 0.00 -0.92 0.00 0.00 57.85 56.76 2djt n ARG 19 Cb 0.52 -1.84 -0.01 0.00 0.45 0.00 0.00 32.46 31.58 2djt n ARG 19 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2djt h GLY 20 N 11.99 -0.17 -6.09 5.14 0.00 -1.89 -3.47 103.07 108.58 2djt h GLY 20 Ca -0.11 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2djt h GLY 20 CO 1.23 -0.06 -0.33 -0.47 0.00 0.00 0.00 176.54 176.91 2djt s TYR 21 N -2.49 -1.36 -1.25 5.60 5.04 -1.26 -4.96 117.35 116.66 2djt s TYR 21 Ca -0.02 1.49 -0.08 0.00 -2.44 0.00 0.00 57.07 56.02 2djt s TYR 21 Cb 0.00 0.42 -0.01 0.00 0.35 0.00 0.00 41.96 42.72 2djt s TYR 21 CO 0.07 -0.82 0.68 0.00 -1.34 0.00 0.00 175.55 174.15 2djt n ALA 22 N 5.41 -2.23 0.00 3.97 0.00 -1.26 -4.75 120.51 121.65 2djt n ALA 22 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2djt n ALA 22 Cb 0.51 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.68 0.20 0.00 0.00 0.00 -1.26 -4.84 105.19 97.61 2djt n GLY 23 Ca -0.22 -2.30 0.04 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.17 0.00 -1.91 1.61 3.72 -1.26 -3.10 117.46 116.34 2djt n PHE 24 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 2djt n PHE 24 Cb 0.00 -0.11 -0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 1.62 0.30 3.46 1.37 0.00 -1.26 -3.99 105.19 106.70 2djt n GLY 25 Ca -0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.76 3.01 0.10 0.99 2.96 -1.26 -1.02 118.68 122.69 2djt s LEU 26 Ca 0.00 -0.19 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 2djt s LEU 26 Cb 0.00 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2djt s LEU 26 CO 0.00 0.21 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.10 2djt s THR 27 N 0.10 2.10 0.02 3.68 2.01 -1.08 -5.04 115.64 117.43 2djt s THR 27 Ca -0.03 -1.59 0.08 0.00 0.31 0.00 0.00 61.69 60.47 2djt s THR 27 Cb -0.14 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 2djt s THR 27 CO 0.04 0.15 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.11 2djt s LEU 28 N -1.75 2.24 -0.07 4.42 1.43 -1.26 -1.13 118.68 122.56 2djt s LEU 28 Ca 0.12 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2djt s LEU 28 Cb -0.10 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 2djt s LEU 28 CO 0.04 0.28 -0.24 -0.83 0.23 0.00 0.00 176.35 175.83 2djt s GLY 29 N -1.10 1.32 0.00 -3.19 0.00 -0.48 -4.74 107.32 99.14 2djt s GLY 29 Ca 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2djt s GLY 29 CO 0.02 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.16 2djt n GLY 30 N 3.07 1.03 4.71 0.20 0.00 -1.26 -3.15 105.19 109.80 2djt n GLY 30 Ca -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.17 3.53 -0.02 0.00 -0.32 -4.72 105.19 101.48 2djt n GLY 31 Ca 0.00 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.29 3.36 0.11 1.61 3.00 -1.19 -0.85 118.95 124.70 2djt s ARG 32 Ca 0.00 -0.19 0.09 0.00 -1.00 0.00 0.00 55.73 54.63 2djt s ARG 32 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 34.95 30.86 2djt s ARG 32 CO 0.00 -1.52 -0.23 0.16 0.00 0.00 0.00 175.30 173.71 2djt s ASP 33 N 2.87 2.86 0.33 -2.12 -4.77 0.47 -3.71 116.67 112.61 2djt s ASP 33 Ca 0.32 -0.71 0.22 0.00 -3.30 0.00 0.00 52.55 49.08 2djt s ASP 33 Cb -0.12 -0.17 1.22 0.00 -1.09 0.00 0.00 42.92 42.75 2djt s ASP 33 CO 0.20 0.11 1.69 1.33 0.70 0.00 0.00 175.17 179.20 2djt n VAL 34 N 1.02 1.00 -0.66 2.11 0.24 -1.26 -0.28 118.33 120.50 2djt n VAL 34 Ca -0.19 0.74 0.09 0.00 -2.04 0.00 0.00 64.34 62.94 2djt n VAL 34 Cb 0.53 -1.74 0.32 0.00 -1.47 0.00 0.00 33.84 31.49 2djt n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2djt n ALA 35 N -1.79 3.04 0.00 2.33 0.00 -1.26 -5.00 120.51 117.83 2djt n ALA 35 Ca -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.73 2djt n ALA 35 Cb 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2djt n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djt n GLY 36 N 0.74 3.94 3.21 0.00 0.00 0.62 -5.10 105.19 108.59 2djt n GLY 36 Ca 0.24 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2djt n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2djt s ASP 37 N 0.00 5.16 0.04 1.61 -4.77 -1.26 -0.39 116.67 117.06 2djt s ASP 37 Ca 0.00 -1.37 0.05 0.00 -3.30 0.00 0.00 52.55 47.93 2djt s ASP 37 Cb 0.00 -1.81 -0.02 0.00 -1.09 0.00 0.00 42.92 40.00 2djt s ASP 37 CO 0.00 -0.35 -0.15 0.42 0.70 0.00 0.00 175.17 175.79 2djt s THR 38 N 1.30 1.17 -0.16 2.11 -4.23 -0.03 -4.98 115.64 110.81 2djt s THR 38 Ca -0.01 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2djt s THR 38 Cb -0.20 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 2djt s THR 38 CO 0.00 -0.00 1.58 -2.16 -0.54 0.00 0.00 174.62 173.49 2djt s PRO 39 N -1.22 3.97 0.09 3.99 0.04 -1.26 -1.18 135.00 139.44 2djt s PRO 39 Ca 0.02 1.81 -0.36 0.00 0.04 0.00 0.00 61.00 62.51 2djt s PRO 39 Cb -0.08 -3.98 -0.17 0.00 0.04 0.00 0.00 34.50 30.31 2djt s PRO 39 CO 0.01 -1.08 1.29 1.28 0.04 0.00 0.00 177.00 178.54 2djt n LEU 40 N 7.80 1.46 -3.67 -3.56 4.77 -1.26 -4.25 117.00 118.29 2djt n LEU 40 Ca 0.18 1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 57.18 2djt n LEU 40 Cb 0.44 -1.17 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 2djt n LEU 40 CO 0.63 -1.17 0.20 0.00 -1.33 0.00 0.00 177.39 175.71 2djt s ALA 41 N 0.34 -1.40 0.24 -1.18 0.00 -1.19 -0.97 121.76 117.60 2djt s ALA 41 Ca 0.83 1.84 -0.27 0.00 0.00 0.00 0.00 51.96 54.36 2djt s ALA 41 Cb -0.97 -1.09 -0.17 0.00 0.00 0.00 0.00 23.12 20.90 2djt s ALA 41 CO 0.48 -0.30 0.43 0.28 0.00 0.00 0.00 175.76 176.66 2djt n VAL 42 N 3.94 1.73 0.00 0.00 0.31 -1.01 -1.38 118.33 121.92 2djt n VAL 42 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 2djt n VAL 42 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 1.06 0.00 -4.37 5.55 0.00 -0.28 -2.54 116.66 116.08 2djt n ARG 43 Ca 0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.74 2djt n ARG 43 Cb 0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 32.46 32.49 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 -2.99 1.68 -0.26 5.14 0.00 -1.24 -4.70 107.32 104.94 2djt s GLY 44 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.23 2djt s GLY 44 CO 0.00 -1.52 -0.09 1.08 0.00 0.00 0.00 173.10 172.56 2djt s LEU 45 N -2.46 3.49 -0.45 0.66 1.43 -1.26 -2.65 118.68 117.44 2djt s LEU 45 Ca 0.19 -1.44 -0.39 0.00 -1.03 0.00 0.00 54.13 51.46 2djt s LEU 45 Cb -0.09 -1.53 -0.15 0.00 0.03 0.00 0.00 46.19 44.45 2djt s LEU 45 CO 0.10 -0.21 2.19 -0.11 0.23 0.00 0.00 176.35 178.55 2djt n LEU 46 N 4.43 1.39 -4.57 1.79 7.94 -0.19 -4.78 117.00 123.02 2djt n LEU 46 Ca -0.12 0.52 -0.52 0.00 -1.11 0.00 0.00 56.01 54.78 2djt n LEU 46 Cb 0.42 -1.08 -0.05 0.00 0.53 0.00 0.00 43.42 43.24 2djt n LEU 46 CO 0.21 -0.76 0.77 1.17 -1.11 0.00 0.00 177.39 177.67 2djt n LYS 47 N 7.88 0.97 -2.34 1.96 0.00 -1.26 -0.12 118.16 125.25 2djt n LYS 47 Ca 0.49 0.35 -0.17 0.00 0.00 0.00 0.00 58.31 58.98 2djt n LYS 47 Cb 0.10 -1.90 -0.01 0.00 0.00 0.00 0.00 35.03 33.21 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 2.20 -4.97 -5.01 3.14 2.03 -1.26 -5.00 116.55 107.68 2djt n ASP 48 Ca 0.17 -0.02 -0.19 0.00 0.52 0.00 0.00 54.79 55.27 2djt n ASP 48 Cb 0.20 -4.06 0.04 0.00 -0.72 0.00 0.00 41.12 36.58 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 -2.26 1.82 0.46 0.27 0.00 0.83 -4.95 107.32 103.48 2djt s GLY 49 Ca 0.01 -1.91 0.25 0.00 0.00 0.00 0.00 44.72 43.07 2djt s GLY 49 CO 0.01 -1.56 1.88 -0.56 0.00 0.00 0.00 173.10 172.88 2djt h PRO 50 N 0.33 0.00 0.09 2.90 0.13 -1.85 -1.34 132.00 132.27 2djt h PRO 50 Ca -0.35 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 2djt h PRO 50 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2djt h PRO 50 CO 0.43 0.21 -0.57 0.00 -0.23 0.00 0.00 178.00 177.84 2djt h ALA 51 N 1.79 -0.05 -0.43 -0.56 0.00 -1.90 -3.01 119.26 115.10 2djt h ALA 51 Ca -0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 2djt h ALA 51 Cb 0.65 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2djt h ALA 51 CO 0.03 0.27 -0.27 0.37 0.00 0.00 0.00 179.25 179.65 2djt h GLN 52 N -0.58 0.95 -0.29 0.00 5.75 -1.81 -2.98 115.11 116.15 2djt h GLN 52 Ca -0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2djt h GLN 52 Cb 1.44 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.96 2djt h GLN 52 CO 0.10 1.10 0.19 0.00 -2.65 0.00 0.00 178.83 177.57 2djt h ARG 53 N 0.78 0.39 -0.84 1.69 3.08 -1.38 -2.41 114.38 115.69 2djt h ARG 53 Ca 0.09 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.20 2djt h ARG 53 Cb 0.85 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 2djt h ARG 53 CO 0.08 0.28 0.55 0.00 -1.07 0.00 0.00 179.97 179.80 2djt n GLY 55 N -1.42 1.92 0.17 0.00 0.00 -0.91 -4.82 105.19 100.13 2djt n GLY 55 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 1.81 0.17 -5.42 1.61 3.08 -1.87 -3.42 114.38 110.34 2djt h ARG 56 Ca 0.00 -0.10 -0.64 0.00 0.07 0.00 0.00 59.98 59.31 2djt h ARG 56 Cb 0.00 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 29.87 2djt h ARG 56 CO 0.00 0.65 -0.62 -0.51 -1.07 0.00 0.00 179.97 178.42 2djt s LEU 57 N -8.01 3.50 0.06 3.04 1.43 -1.26 -5.11 118.68 112.34 2djt s LEU 57 Ca -0.04 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2djt s LEU 57 Cb 0.13 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2djt s LEU 57 CO 0.78 0.21 -0.05 -1.61 0.23 0.00 0.00 176.35 175.91 2djt s GLU 58 N 0.12 0.64 0.02 1.70 2.02 -1.26 -4.73 118.70 117.22 2djt s GLU 58 Ca 0.01 -1.13 -0.31 0.00 0.02 0.00 0.00 54.97 53.57 2djt s GLU 58 Cb -0.13 -0.02 -0.10 0.00 0.10 0.00 0.00 34.13 33.98 2djt s GLU 58 CO 0.02 -0.05 1.94 0.28 0.02 0.00 0.00 175.26 177.47 2djt n VAL 59 N 0.41 0.67 0.00 2.63 0.31 -1.26 -2.11 118.33 118.99 2djt n VAL 59 Ca -0.16 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2djt n VAL 59 Cb 0.59 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 4.47 0.95 3.45 2.92 0.00 -1.05 -5.01 105.19 110.92 2djt n GLY 60 Ca 0.20 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 0.01 -0.65 -4.88 1.61 9.92 -0.90 -4.67 116.55 117.00 2djt n ASP 61 Ca 0.00 1.10 -0.37 0.00 -0.53 0.00 0.00 54.79 54.99 2djt n ASP 61 Cb 0.00 -1.05 -0.06 0.00 -0.64 0.00 0.00 41.12 39.37 2djt n ASP 61 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2djt s LEU 62 N 2.28 4.39 -0.20 0.64 1.43 -1.26 -2.40 118.68 123.57 2djt s LEU 62 Ca 0.62 0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.17 2djt s LEU 62 Cb -0.81 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2djt s LEU 62 CO 0.58 0.40 0.01 -0.69 0.23 0.00 0.00 176.35 176.87 2djt s VAL 63 N -1.05 4.01 -0.19 -1.59 1.01 -0.15 -1.81 120.40 120.64 2djt s VAL 63 Ca 0.16 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2djt s VAL 63 Cb -0.12 -2.82 -0.16 0.00 0.00 0.00 0.00 36.38 33.28 2djt s VAL 63 CO 0.05 0.42 -0.08 0.18 0.00 0.00 0.00 175.10 175.67 2djt n LEU 64 N 4.26 1.75 -4.06 3.92 4.77 -1.04 -4.54 117.00 122.07 2djt n LEU 64 Ca -0.17 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 2djt n LEU 64 Cb 0.52 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2djt n LEU 64 CO 0.32 0.66 0.10 -1.00 -1.33 0.00 0.00 177.39 176.13 2djt s HIS 65 N -2.40 0.70 -0.13 -1.77 3.76 -1.24 -4.00 115.29 110.21 2djt s HIS 65 Ca -0.19 -1.00 -0.09 0.00 -0.15 0.00 0.00 55.06 53.63 2djt s HIS 65 Cb 0.06 -0.01 0.04 0.00 1.11 0.00 0.00 32.58 33.78 2djt s HIS 65 CO 0.55 -0.98 0.32 0.42 -0.85 0.00 0.00 174.74 174.20 2djt s ILE 66 N -3.76 -0.02 -1.44 0.60 1.01 -0.78 -0.88 121.20 115.93 2djt s ILE 66 Ca 0.28 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 2djt s ILE 66 Cb 0.01 -0.47 0.09 0.00 0.01 0.00 0.00 42.46 42.10 2djt s ILE 66 CO 0.13 0.03 0.66 0.59 0.00 0.00 0.00 174.94 176.35 2djt n ASN 67 N 3.69 -3.90 -1.44 3.58 3.02 0.23 0.58 115.26 121.03 2djt n ASN 67 Ca -0.20 -0.61 -0.15 0.00 -0.03 0.00 0.00 54.58 53.59 2djt n ASN 67 Cb 0.56 -3.19 -0.04 0.00 -0.61 0.00 0.00 39.78 36.50 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 -1.33 0.68 3.40 7.41 0.00 -1.26 -5.00 105.19 109.10 2djt n GLY 68 Ca 0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 1.60 -0.02 1.61 2.02 0.20 -5.11 118.70 115.01 2djt s GLU 69 Ca 0.00 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 53.45 2djt s GLU 69 Cb 0.00 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 2djt s GLU 69 CO 0.00 0.47 1.06 0.45 0.02 0.00 0.00 175.26 177.27 2djt s SER 70 N -1.86 7.24 0.00 -0.19 0.15 -1.26 -1.86 113.70 115.91 2djt s SER 70 Ca 0.14 1.72 0.22 0.00 0.70 0.00 0.00 55.95 58.74 2djt s SER 70 Cb -0.10 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.14 2djt s SER 70 CO 0.06 -0.39 1.44 1.07 1.20 0.00 0.00 173.24 176.62 2djt n THR 71 N 4.16 0.51 0.06 6.45 5.66 -1.26 -4.31 114.28 125.56 2djt n THR 71 Ca 0.08 -0.70 0.04 0.00 -3.05 0.00 0.00 64.05 60.42 2djt n THR 71 Cb 0.49 0.79 0.20 0.00 -1.55 0.00 0.00 70.33 70.26 2djt n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2djt n GLN 72 N 1.29 0.05 -0.03 1.09 6.02 -1.26 -1.54 117.38 122.99 2djt n GLN 72 Ca 0.19 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2djt n GLN 72 Cb 0.55 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.13 2djt n GLN 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2djt n GLY 73 N -1.41 -1.46 3.44 1.08 0.00 -1.26 -5.04 105.19 100.53 2djt n GLY 73 Ca -0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.25 3.41 0.00 0.99 1.43 -0.59 -5.06 118.68 118.61 2djt s LEU 74 Ca 0.00 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2djt s LEU 74 Cb 0.00 -1.91 0.17 0.00 0.03 0.00 0.00 46.19 44.48 2djt s LEU 74 CO 0.00 -0.03 0.78 0.35 0.23 0.00 0.00 176.35 177.68 2djt n THR 75 N 4.88 0.00 0.22 5.49 -2.24 -1.26 -4.59 114.28 116.77 2djt n THR 75 Ca -0.16 -0.47 0.06 0.00 -2.27 0.00 0.00 64.05 61.21 2djt n THR 75 Cb 0.51 -1.43 0.55 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.88 0.06 0.02 4.78 2.76 -1.89 0.22 115.15 119.22 2djt h HIS 76 Ca -0.27 -0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.63 2djt h HIS 76 Cb 0.78 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 2djt h HIS 76 CO 0.00 0.12 -1.43 0.00 -1.30 0.00 0.00 177.93 175.32 2djt h ALA 77 N 1.89 0.52 -0.19 5.26 0.00 -1.91 -3.23 119.26 121.60 2djt h ALA 77 Ca 0.01 -1.20 -0.20 0.00 0.00 0.00 0.00 54.91 53.52 2djt h ALA 77 Cb 0.15 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2djt h ALA 77 CO 0.01 1.38 -0.67 1.96 0.00 0.00 0.00 179.25 181.92 2djt h GLN 78 N 0.01 0.76 0.77 0.00 4.20 -1.73 -3.11 115.11 116.02 2djt h GLN 78 Ca -0.18 -0.55 -0.04 0.00 0.06 0.00 0.00 58.65 57.94 2djt h GLN 78 Cb 1.93 0.10 0.01 0.00 0.30 0.00 0.00 27.48 29.81 2djt h GLN 78 CO 0.11 1.17 -0.37 0.00 -0.67 0.00 0.00 178.83 179.08 2djt h ALA 79 N 0.69 -1.04 -0.85 3.87 0.00 -1.10 -3.08 119.26 117.74 2djt h ALA 79 Ca -0.02 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.86 2djt h ALA 79 Cb 1.28 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 19.32 2djt h ALA 79 CO 0.14 -1.00 0.03 0.28 0.00 0.00 0.00 179.25 178.70 2djt h VAL 80 N -1.21 0.23 -0.19 0.00 2.07 -1.66 -0.56 116.25 114.93 2djt h VAL 80 Ca -0.11 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2djt h VAL 80 Cb 0.81 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2djt h VAL 80 CO 0.17 0.02 -0.47 -0.08 0.02 0.00 0.00 177.57 177.23 2djt h GLU 81 N 0.09 -0.47 -1.04 1.57 4.57 -1.48 0.71 114.58 118.52 2djt h GLU 81 Ca 0.49 0.03 0.26 0.00 -1.18 0.00 0.00 59.36 58.96 2djt h GLU 81 Cb 0.92 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.51 2djt h GLU 81 CO -0.76 -0.31 0.65 0.00 -1.18 0.00 0.00 179.01 177.41 2djt h ARG 82 N -0.49 0.42 0.66 1.92 2.47 -1.02 0.95 114.38 119.29 2djt h ARG 82 Ca 0.07 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2djt h ARG 82 Cb 0.64 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 2djt h ARG 82 CO -0.45 0.28 -0.32 0.82 0.56 0.00 0.00 179.97 180.86 2djt h ILE 83 N 0.44 0.22 -0.14 2.04 2.04 -0.58 0.22 117.51 121.76 2djt h ILE 83 Ca 0.61 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 66.26 2djt h ILE 83 Cb 1.45 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2djt h ILE 83 CO -0.34 0.02 -0.06 0.03 0.00 0.00 0.00 178.15 177.80 2djt h ARG 84 N -1.09 -0.04 0.00 2.37 2.47 -0.28 -0.83 114.38 116.99 2djt h ARG 84 Ca -0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2djt h ARG 84 Cb 0.72 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2djt h ARG 84 CO 0.15 -0.03 -0.03 0.00 0.56 0.00 0.00 179.97 180.62 2djt h ALA 85 N 1.08 1.05 -1.19 0.04 0.00 -0.89 -3.02 119.26 116.34 2djt h ALA 85 Ca 0.07 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.31 2djt h ALA 85 Cb 0.16 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 2djt h ALA 85 CO -0.17 0.04 0.78 0.78 0.00 0.00 0.00 179.25 180.68 2djt h GLY 86 N 1.13 1.12 0.00 0.00 0.00 0.97 -3.47 103.07 102.82 2djt h GLY 86 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2djt h GLY 86 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.92 2djt n GLY 87 N -1.53 0.24 0.03 4.60 0.00 -1.14 -4.64 105.19 102.75 2djt n GLY 87 Ca 0.31 -2.21 0.08 0.00 0.00 0.00 0.00 46.02 44.20 2djt n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djt n PRO 88 N 0.00 0.05 -5.12 1.61 -0.04 -1.26 -4.64 135.00 125.60 2djt n PRO 88 Ca 0.00 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.46 2djt n PRO 88 Cb 0.00 -1.59 -0.16 0.00 -0.04 0.00 0.00 33.50 31.70 2djt n PRO 88 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2djt s GLN 89 N -3.08 2.41 -0.04 0.54 -0.21 -1.26 -3.60 119.66 114.42 2djt s GLN 89 Ca 0.06 -0.80 -0.09 0.00 0.02 0.00 0.00 55.36 54.55 2djt s GLN 89 Cb 0.09 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 2djt s GLN 89 CO 0.29 0.29 0.25 -1.17 -2.12 0.00 0.00 175.29 172.84 2djt s LEU 90 N 0.02 4.40 -0.19 2.90 0.20 -1.04 -4.81 118.68 120.16 2djt s LEU 90 Ca -0.07 0.63 -0.04 0.00 0.69 0.00 0.00 54.13 55.33 2djt s LEU 90 Cb -0.14 -2.41 0.08 0.00 -0.43 0.00 0.00 46.19 43.28 2djt s LEU 90 CO 0.04 0.33 0.15 -2.28 -0.29 0.00 0.00 176.35 174.30 2djt s HIS 91 N -1.14 0.00 0.00 5.38 2.46 -1.21 -3.38 115.29 117.40 2djt s HIS 91 Ca 0.22 -0.13 0.04 0.00 0.47 0.00 0.00 55.06 55.66 2djt s HIS 91 Cb -0.14 -0.57 -0.01 0.00 -0.13 0.00 0.00 32.58 31.73 2djt s HIS 91 CO 0.11 -0.57 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.16 2djt s LEU 92 N 2.22 2.06 -0.39 8.88 1.43 -1.17 0.76 118.68 132.46 2djt s LEU 92 Ca 0.04 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 2djt s LEU 92 Cb -0.16 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.41 2djt s LEU 92 CO -0.12 0.13 0.51 -0.69 0.23 0.00 0.00 176.35 176.41 2djt s VAL 93 N -0.44 5.01 -0.10 -1.59 1.01 -0.06 -0.84 120.40 123.38 2djt s VAL 93 Ca 0.04 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2djt s VAL 93 Cb -0.06 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 2djt s VAL 93 CO -0.00 -0.36 -0.23 -0.63 0.00 0.00 0.00 175.10 173.88 2djt s ILE 94 N 2.38 2.16 -0.33 2.22 -1.09 -0.12 -2.48 121.20 123.94 2djt s ILE 94 Ca 0.17 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.62 2djt s ILE 94 Cb -0.16 -1.83 0.10 0.00 -1.58 0.00 0.00 42.46 38.99 2djt s ILE 94 CO 0.15 0.56 0.08 -0.60 -1.23 0.00 0.00 174.94 173.89 2djt s ARG 95 N 0.31 1.08 0.31 2.79 3.52 -0.75 -2.04 118.95 124.16 2djt s ARG 95 Ca -0.17 -1.46 -0.28 0.00 -0.13 0.00 0.00 55.73 53.68 2djt s ARG 95 Cb -0.18 -2.55 -0.13 0.00 -1.56 0.00 0.00 34.95 30.53 2djt s ARG 95 CO 0.08 -0.97 1.20 -2.13 -0.81 0.00 0.00 175.30 172.68 2djt n ARG 96 N 4.55 1.83 -1.15 5.12 0.63 -1.26 -4.26 116.66 122.12 2djt n ARG 96 Ca 0.01 0.64 -0.29 0.00 -0.92 0.00 0.00 57.85 57.30 2djt n ARG 96 Cb 0.42 -2.16 0.19 0.00 0.45 0.00 0.00 32.46 31.36 2djt n ARG 96 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2djt s PRO 97 N -1.58 0.17 -0.55 -0.14 0.04 -1.26 -4.99 135.00 126.69 2djt s PRO 97 Ca 0.58 0.43 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 2djt s PRO 97 Cb -0.63 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.29 2djt s PRO 97 CO 0.60 -2.89 0.62 -1.17 0.04 0.00 0.00 177.00 174.20 2djt s LEU 98 N -6.54 5.40 0.14 -3.56 0.20 -1.26 -5.03 118.68 108.03 2djt s LEU 98 Ca 0.66 -1.32 0.03 0.00 0.69 0.00 0.00 54.13 54.18 2djt s LEU 98 Cb -0.18 -2.32 -0.04 0.00 -0.43 0.00 0.00 46.19 43.22 2djt s LEU 98 CO 0.58 -0.97 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.67 2djt s SER 99 N 3.25 1.40 0.04 3.68 1.04 -1.26 -5.16 113.70 116.69 2djt s SER 99 Ca 0.11 -1.06 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 2djt s SER 99 Cb -0.24 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 2djt s SER 99 CO 0.07 -0.45 0.27 -0.83 0.98 0.00 0.00 173.24 173.28 2djt s GLY 100 N -3.13 2.23 0.19 7.32 0.00 -1.26 -5.07 107.32 107.60 2djt s GLY 100 Ca 0.17 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 2djt s GLY 100 CO -0.00 -0.50 1.31 2.56 0.00 0.00 0.00 173.10 176.46 2djt s PRO 101 N -2.04 4.39 0.38 2.90 0.04 -1.26 -4.98 135.00 134.43 2djt s PRO 101 Ca 0.31 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 2djt s PRO 101 Cb -0.13 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2djt s PRO 101 CO 0.20 -0.26 1.33 -1.54 0.04 0.00 0.00 177.00 176.77 2djt s SER 102 N 0.39 6.42 -0.20 6.66 1.04 -1.26 -5.02 113.70 121.74 2djt s SER 102 Ca 0.57 2.73 -0.01 0.00 0.48 0.00 0.00 55.95 59.72 2djt s SER 102 Cb -0.36 -2.65 0.05 0.00 0.10 0.00 0.00 66.02 63.17 2djt s SER 102 CO 0.38 -0.78 -0.01 -0.44 0.98 0.00 0.00 173.24 173.36 2djt s SER 103 N -0.58 3.12 0.00 7.02 0.01 -1.26 -5.35 113.70 116.65 2djt s SER 103 Ca 0.54 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2djt s SER 103 Cb -0.40 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.00 2djt s SER 103 CO 0.52 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.53