#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 6.65 -0.41 1.61 0.15 -1.26 -4.94 113.70 115.49 2djt s SER 2 Ca 0.00 1.15 -0.40 0.00 0.70 0.00 0.00 55.95 57.40 2djt s SER 2 Cb 0.00 -2.32 -0.16 0.00 -1.71 0.00 0.00 66.02 61.83 2djt s SER 2 CO 0.00 -0.25 2.09 -1.20 1.20 0.00 0.00 173.24 175.08 2djt n SER 3 N -0.68 1.51 0.00 5.45 7.64 -1.26 -4.69 113.62 121.59 2djt n SER 3 Ca 0.02 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2djt n SER 3 Cb 0.53 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2djt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djt n GLY 4 N 6.61 -1.70 3.72 0.23 0.00 -1.26 -5.13 105.19 107.66 2djt n GLY 4 Ca 0.45 0.76 -0.43 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 3.76 -0.31 1.61 2.88 -1.26 -4.88 113.62 115.42 2djt n SER 5 Ca 0.00 1.10 0.04 0.00 -1.33 0.00 0.00 58.87 58.67 2djt n SER 5 Cb 0.00 -1.55 0.18 0.00 -0.75 0.00 0.00 64.21 62.09 2djt n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2djt h SER 6 N 5.81 0.74 0.00 -3.46 0.87 -2.00 -3.48 113.55 112.03 2djt h SER 6 Ca -0.45 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2djt h SER 6 Cb 1.22 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2djt h SER 6 CO 0.88 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 178.21 2djt n GLY 7 N -1.33 1.19 3.12 5.77 0.00 -1.26 -5.00 105.19 107.68 2djt n GLY 7 Ca 0.15 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 0.00 -2.72 1.61 7.27 -1.26 -4.83 117.38 117.45 2djt n GLN 8 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 2djt n GLN 8 Cb 0.00 -1.29 -0.03 0.00 2.41 0.00 0.00 30.24 31.33 2djt n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2djt s ALA 9 N 7.10 3.17 0.02 1.69 0.00 -1.26 -4.98 121.76 127.50 2djt s ALA 9 Ca 1.21 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 53.54 2djt s ALA 9 Cb -1.08 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 18.76 2djt s ALA 9 CO 0.45 -0.22 0.71 0.43 0.00 0.00 0.00 175.76 177.13 2djt n SER 10 N 3.87 -0.79 -0.26 0.00 7.64 -1.26 -5.02 113.62 117.80 2djt n SER 10 Ca 0.06 -1.25 0.08 0.00 1.01 0.00 0.00 58.87 58.77 2djt n SER 10 Cb 0.51 1.24 0.17 0.00 -1.01 0.00 0.00 64.21 65.11 2djt n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djt n GLY 11 N -0.51 -1.12 2.68 0.23 0.00 -1.26 -4.51 105.19 100.70 2djt n GLY 11 Ca 0.02 0.76 -0.48 0.00 0.00 0.00 0.00 46.02 46.32 2djt n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2djt n HIS 12 N -5.11 1.11 -4.38 1.61 -0.00 -1.26 -4.82 115.22 102.37 2djt n HIS 12 Ca 0.15 0.82 -0.19 0.00 -0.00 0.00 0.00 57.72 58.50 2djt n HIS 12 Cb 0.48 -1.59 -0.10 0.00 -0.00 0.00 0.00 29.99 28.77 2djt n HIS 12 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2djt s PHE 13 N 1.74 1.75 0.24 4.41 -0.12 0.21 -4.96 117.98 121.25 2djt s PHE 13 Ca 0.74 -0.80 0.06 0.00 -0.05 0.00 0.00 56.93 56.88 2djt s PHE 13 Cb -1.05 -1.01 -0.03 0.00 -0.63 0.00 0.00 43.02 40.30 2djt s PHE 13 CO 0.56 0.13 0.24 -1.54 -0.05 0.00 0.00 175.22 174.55 2djt s SER 14 N -3.37 5.75 -0.08 1.98 1.04 -1.26 -0.89 113.70 116.87 2djt s SER 14 Ca 0.29 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.62 2djt s SER 14 Cb 0.05 -1.54 -0.01 0.00 0.10 0.00 0.00 66.02 64.62 2djt s SER 14 CO 0.10 -0.03 -0.23 -0.69 0.98 0.00 0.00 173.24 173.37 2djt s VAL 15 N -2.05 2.19 -0.13 5.02 1.01 -0.35 -4.92 120.40 121.17 2djt s VAL 15 Ca 0.33 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2djt s VAL 15 Cb -0.08 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.48 2djt s VAL 15 CO 0.26 0.56 -0.22 -0.70 0.00 0.00 0.00 175.10 175.00 2djt s GLU 16 N 0.03 2.94 0.27 2.72 2.12 -1.26 -3.50 118.70 122.02 2djt s GLU 16 Ca -0.09 -0.83 -0.12 0.00 0.36 0.00 0.00 54.97 54.29 2djt s GLU 16 Cb -0.15 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.91 2djt s GLU 16 CO 0.06 0.04 0.51 -0.51 -0.54 0.00 0.00 175.26 174.81 2djt s LEU 17 N 0.70 0.35 -0.16 2.70 1.43 -1.23 -4.98 118.68 117.49 2djt s LEU 17 Ca -0.10 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2djt s LEU 17 Cb -0.16 1.85 0.03 0.00 0.03 0.00 0.00 46.19 47.93 2djt s LEU 17 CO 0.01 -1.20 -0.12 -0.69 0.23 0.00 0.00 176.35 174.57 2djt s VAL 18 N -3.79 1.53 -0.38 -1.59 1.01 -1.26 -2.49 120.40 113.42 2djt s VAL 18 Ca 0.22 -0.71 -0.45 0.00 0.00 0.00 0.00 61.98 61.05 2djt s VAL 18 Cb -0.01 -1.50 -0.20 0.00 0.00 0.00 0.00 36.38 34.67 2djt s VAL 18 CO 0.10 0.36 1.51 -1.14 0.00 0.00 0.00 175.10 175.93 2djt n ARG 19 N 4.77 0.10 -3.76 2.72 0.63 -1.07 -4.86 116.66 115.19 2djt n ARG 19 Ca -0.16 0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 56.70 2djt n ARG 19 Cb 0.49 -1.55 -0.07 0.00 0.45 0.00 0.00 32.46 31.78 2djt n ARG 19 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2djt s GLY 20 N 2.44 -0.10 -1.25 5.14 0.00 -1.26 -4.88 107.32 107.42 2djt s GLY 20 Ca 1.02 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.58 2djt s GLY 20 CO 0.76 -0.36 0.82 2.98 0.00 0.00 0.00 173.10 177.29 2djt n TYR 21 N 0.32 -2.04 -3.65 1.90 4.19 -1.26 -2.61 117.16 114.01 2djt n TYR 21 Ca -0.17 0.86 -0.22 0.00 3.31 0.00 0.00 57.90 61.67 2djt n TYR 21 Cb 0.61 -4.57 0.04 0.00 0.49 0.00 0.00 39.34 35.91 2djt n TYR 21 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2djt n ALA 22 N -4.15 -2.17 0.00 2.98 0.00 -1.26 -4.81 120.51 111.10 2djt n ALA 22 Ca -0.27 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2djt n ALA 22 Cb 0.67 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.56 3.16 0.50 0.00 0.00 -1.07 -4.79 105.19 101.44 2djt n GLY 23 Ca -0.24 -1.51 0.28 0.00 0.00 0.00 0.00 46.02 44.55 2djt n GLY 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2djt h PHE 24 N 0.00 0.00 -0.23 1.61 0.04 -1.88 -3.37 116.94 113.12 2djt h PHE 24 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2djt h PHE 24 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2djt h PHE 24 CO 0.00 0.00 -0.04 0.41 -0.60 0.00 0.00 178.31 178.08 2djt n GLY 25 N -1.66 0.32 3.52 -1.45 0.00 -1.26 -3.78 105.19 100.88 2djt n GLY 25 Ca 0.20 -0.84 -0.34 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 -0.49 3.19 0.26 0.99 2.96 -1.26 -1.53 118.68 122.79 2djt s LEU 26 Ca 0.00 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.90 2djt s LEU 26 Cb 0.00 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 2djt s LEU 26 CO 0.00 0.23 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.21 2djt s THR 27 N -0.02 2.15 -0.18 3.68 2.01 -1.21 -5.04 115.64 117.04 2djt s THR 27 Ca 0.00 -2.31 0.01 0.00 0.31 0.00 0.00 61.69 59.70 2djt s THR 27 Cb -0.13 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.17 2djt s THR 27 CO 0.03 -0.45 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.62 2djt s LEU 28 N -3.44 2.13 -0.22 4.42 1.43 -1.26 -1.16 118.68 120.57 2djt s LEU 28 Ca 0.27 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 2djt s LEU 28 Cb -0.02 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2djt s LEU 28 CO 0.12 -0.10 0.64 -0.83 0.23 0.00 0.00 176.35 176.40 2djt s GLY 29 N 1.40 1.94 0.00 -3.19 0.00 0.50 -4.77 107.32 103.20 2djt s GLY 29 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2djt s GLY 29 CO -0.09 1.38 0.00 0.61 0.00 0.00 0.00 173.10 175.00 2djt n GLY 30 N 3.94 0.95 0.09 0.20 0.00 -1.26 -3.45 105.19 105.65 2djt n GLY 30 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.35 3.59 -0.02 0.00 -0.84 -4.80 105.19 99.77 2djt n GLY 31 Ca 0.00 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.62 3.15 0.11 1.61 3.00 -1.24 -1.92 118.95 123.03 2djt s ARG 32 Ca 0.00 1.17 0.09 0.00 -1.00 0.00 0.00 55.73 55.99 2djt s ARG 32 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 34.95 30.67 2djt s ARG 32 CO 0.00 -2.09 -0.23 -0.51 0.00 0.00 0.00 175.30 172.47 2djt s ASP 33 N 6.54 2.85 0.47 -2.12 1.01 0.22 -4.47 116.67 121.16 2djt s ASP 33 Ca 0.75 -0.71 0.13 0.00 0.71 0.00 0.00 52.55 53.43 2djt s ASP 33 Cb -0.19 -0.17 1.09 0.00 1.01 0.00 0.00 42.92 44.66 2djt s ASP 33 CO 0.30 0.11 2.09 1.62 0.21 0.00 0.00 175.17 179.49 2djt h VAL 34 N 4.00 1.01 -0.52 -1.27 3.04 -2.03 -0.42 116.25 120.07 2djt h VAL 34 Ca -0.48 -0.09 -0.19 0.00 -1.01 0.00 0.00 66.70 64.93 2djt h VAL 34 Cb 1.18 0.72 -0.12 0.00 -2.01 0.00 0.00 31.29 31.06 2djt h VAL 34 CO 0.39 0.05 0.24 0.00 -1.01 0.00 0.00 177.57 177.25 2djt n ALA 35 N -2.52 4.01 0.00 3.17 0.00 -1.26 -4.93 120.51 118.97 2djt n ALA 35 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2djt n ALA 35 Cb 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.16 4.52 3.24 0.00 0.00 -0.17 -5.09 105.19 107.54 2djt n GLY 36 Ca 0.29 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 4.66 0.14 1.61 -4.77 -1.25 -0.61 116.67 116.45 2djt s ASP 37 Ca 0.00 -0.88 0.10 0.00 -3.30 0.00 0.00 52.55 48.47 2djt s ASP 37 Cb 0.00 -1.74 -0.04 0.00 -1.09 0.00 0.00 42.92 40.05 2djt s ASP 37 CO 0.00 -0.17 -0.24 0.42 0.70 0.00 0.00 175.17 175.89 2djt s THR 38 N 1.37 2.06 -0.23 2.11 -4.23 -0.81 -4.96 115.64 110.95 2djt s THR 38 Ca 0.00 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 2djt s THR 38 Cb -0.17 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 2djt s THR 38 CO -0.02 -0.04 1.62 -2.16 -0.54 0.00 0.00 174.62 173.47 2djt s PRO 39 N -2.22 3.77 0.19 3.99 0.04 -1.26 -2.00 135.00 137.51 2djt s PRO 39 Ca 0.13 1.63 -0.32 0.00 0.04 0.00 0.00 61.00 62.48 2djt s PRO 39 Cb -0.09 -4.04 -0.15 0.00 0.04 0.00 0.00 34.50 30.25 2djt s PRO 39 CO 0.06 -1.33 1.14 1.28 0.04 0.00 0.00 177.00 178.20 2djt n LEU 40 N 8.54 1.58 -3.65 -3.56 4.77 -1.26 -4.50 117.00 118.91 2djt n LEU 40 Ca 0.19 1.15 -0.14 0.00 -0.03 0.00 0.00 56.01 57.17 2djt n LEU 40 Cb 0.45 -1.23 -0.08 0.00 -2.33 0.00 0.00 43.42 40.24 2djt n LEU 40 CO 0.65 -1.31 0.31 0.00 -1.33 0.00 0.00 177.39 175.71 2djt s ALA 41 N -0.31 -1.52 0.00 -1.18 0.00 -1.22 -2.44 121.76 115.08 2djt s ALA 41 Ca 0.71 1.64 -0.39 0.00 0.00 0.00 0.00 51.96 53.92 2djt s ALA 41 Cb -0.83 -0.86 -0.20 0.00 0.00 0.00 0.00 23.12 21.24 2djt s ALA 41 CO 0.53 -0.30 1.05 0.28 0.00 0.00 0.00 175.76 177.32 2djt n VAL 42 N 2.49 0.00 0.00 0.00 0.31 -1.19 -0.37 118.33 119.57 2djt n VAL 42 Ca -0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2djt n VAL 42 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 1.47 0.00 -4.42 5.55 3.00 -0.31 -2.47 116.66 119.47 2djt n ARG 43 Ca 0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.79 2djt n ARG 43 Cb 0.08 -0.42 -0.11 0.00 0.00 0.00 0.00 32.46 32.01 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 -2.90 1.76 -0.31 5.14 0.00 -1.26 -4.81 107.32 104.94 2djt s GLY 44 Ca 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 43.06 2djt s GLY 44 CO 0.00 -1.75 -0.00 1.08 0.00 0.00 0.00 173.10 172.43 2djt s LEU 45 N -2.96 4.35 -0.40 0.66 1.43 -1.26 -3.28 118.68 117.21 2djt s LEU 45 Ca 0.24 -1.92 -0.45 0.00 -1.03 0.00 0.00 54.13 50.97 2djt s LEU 45 Cb -0.07 -1.60 -0.19 0.00 0.03 0.00 0.00 46.19 44.35 2djt s LEU 45 CO 0.12 -0.32 1.55 -0.11 0.23 0.00 0.00 176.35 177.82 2djt n LEU 46 N 4.31 1.19 -4.56 1.79 7.94 -0.58 -4.80 117.00 122.29 2djt n LEU 46 Ca -0.02 1.17 -0.41 0.00 -1.11 0.00 0.00 56.01 55.64 2djt n LEU 46 Cb 0.42 -0.92 0.01 0.00 0.53 0.00 0.00 43.42 43.46 2djt n LEU 46 CO 0.22 -0.93 0.41 1.17 -1.11 0.00 0.00 177.39 177.15 2djt n LYS 47 N 3.82 1.05 -4.28 1.96 0.00 -1.26 -1.66 118.16 117.78 2djt n LYS 47 Ca 0.29 0.38 -0.34 0.00 0.00 0.00 0.00 58.31 58.64 2djt n LYS 47 Cb -0.02 -1.86 -0.09 0.00 0.00 0.00 0.00 35.03 33.06 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 0.69 -0.31 -4.96 3.14 5.75 -1.26 -4.91 116.55 114.70 2djt n ASP 48 Ca 0.10 -1.19 -0.23 0.00 -0.01 0.00 0.00 54.79 53.46 2djt n ASP 48 Cb 0.40 -1.50 0.02 0.00 -1.03 0.00 0.00 41.12 39.01 2djt n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2djt s GLY 49 N -3.76 2.11 0.10 6.12 0.00 -0.66 -4.93 107.32 106.30 2djt s GLY 49 Ca 0.36 -1.63 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 2djt s GLY 49 CO 0.95 -1.83 1.42 -0.56 0.00 0.00 0.00 173.10 173.08 2djt h PRO 50 N 0.53 0.71 -0.09 2.90 0.13 -1.86 0.29 132.00 134.61 2djt h PRO 50 Ca -0.34 -0.37 -0.13 0.00 -0.87 0.00 0.00 66.00 64.28 2djt h PRO 50 Cb 1.30 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2djt h PRO 50 CO 0.51 0.99 -0.54 0.00 -0.23 0.00 0.00 178.00 178.73 2djt h ALA 51 N 0.71 0.92 0.23 -0.56 0.00 -1.91 -1.84 119.26 116.80 2djt h ALA 51 Ca 0.05 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.14 2djt h ALA 51 Cb 0.86 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.59 2djt h ALA 51 CO 0.07 0.68 -1.46 0.37 0.00 0.00 0.00 179.25 178.91 2djt h GLN 52 N 0.21 0.48 -0.07 0.00 5.75 -1.79 -3.25 115.11 116.43 2djt h GLN 52 Ca 0.00 -0.81 -0.00 0.00 -0.15 0.00 0.00 58.65 57.69 2djt h GLN 52 Cb 1.01 0.30 -0.00 0.00 1.07 0.00 0.00 27.48 29.86 2djt h GLN 52 CO 0.08 1.39 0.03 0.00 -2.65 0.00 0.00 178.83 177.68 2djt h ARG 53 N 0.06 0.10 -0.69 1.69 3.08 -0.43 -2.65 114.38 115.55 2djt h ARG 53 Ca -0.27 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 59.92 2djt h ARG 53 Cb 2.08 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 32.08 2djt h ARG 53 CO 0.23 0.24 0.47 0.00 -1.07 0.00 0.00 179.97 179.85 2djt n GLY 55 N -1.57 -0.53 0.10 0.00 0.00 -1.00 -4.89 105.19 97.29 2djt n GLY 55 Ca 0.13 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.74 0.68 -4.38 1.61 1.74 -1.26 -4.97 116.66 105.34 2djt n ARG 56 Ca -0.01 0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 56.85 2djt n ARG 56 Cb 0.56 -1.56 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 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 -5.61 2.39 0.02 0.55 1.43 -1.26 -5.15 118.68 111.05 2djt s LEU 57 Ca -0.10 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2djt s LEU 57 Cb 0.06 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2djt s LEU 57 CO 0.82 0.10 -0.03 -1.61 0.23 0.00 0.00 176.35 175.86 2djt s GLU 58 N -2.43 0.27 -0.29 1.70 8.01 -1.26 -4.92 118.70 119.77 2djt s GLU 58 Ca 0.16 -0.41 -0.43 0.00 0.01 0.00 0.00 54.97 54.30 2djt s GLU 58 Cb -0.08 -0.06 -0.18 0.00 -4.31 0.00 0.00 34.13 29.50 2djt s GLU 58 CO 0.07 0.00 1.53 0.28 0.01 0.00 0.00 175.26 177.16 2djt n VAL 59 N 2.17 0.09 0.00 2.63 0.31 -1.26 -1.60 118.33 120.67 2djt n VAL 59 Ca -0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2djt n VAL 59 Cb 0.57 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 3.52 2.04 3.59 2.92 0.00 -1.03 -4.96 105.19 111.27 2djt n GLY 60 Ca 0.27 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.82 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 1.48 -4.67 1.61 8.00 -0.63 -4.73 116.55 117.62 2djt n ASP 61 Ca 0.00 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.26 2djt n ASP 61 Cb 0.00 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 39.78 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 0.54 4.16 -0.26 0.64 1.43 -1.26 -3.19 118.68 120.75 2djt s LEU 62 Ca 0.67 0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 2djt s LEU 62 Cb -0.78 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2djt s LEU 62 CO 0.55 -0.23 0.53 -0.69 0.23 0.00 0.00 176.35 176.73 2djt s VAL 63 N 1.72 5.06 -0.24 -1.59 1.01 -1.02 -3.04 120.40 122.30 2djt s VAL 63 Ca 0.28 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 2djt s VAL 63 Cb -0.16 -3.84 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 2djt s VAL 63 CO 0.11 0.09 -0.15 0.18 0.00 0.00 0.00 175.10 175.33 2djt n LEU 64 N 5.51 2.53 -4.22 3.92 7.99 -0.91 -4.76 117.00 127.06 2djt n LEU 64 Ca -0.04 0.10 -0.18 0.00 -0.01 0.00 0.00 56.01 55.88 2djt n LEU 64 Cb 0.50 -0.92 -0.07 0.00 -0.11 0.00 0.00 43.42 42.82 2djt n LEU 64 CO 0.41 0.76 -0.03 -1.00 -1.51 0.00 0.00 177.39 176.02 2djt s HIS 65 N -2.51 1.53 -0.26 -1.77 3.76 -1.23 -3.76 115.29 111.05 2djt s HIS 65 Ca -0.34 -1.55 -0.10 0.00 -0.15 0.00 0.00 55.06 52.92 2djt s HIS 65 Cb 0.10 -0.50 0.10 0.00 1.11 0.00 0.00 32.58 33.39 2djt s HIS 65 CO 0.59 -0.96 0.58 0.42 -0.85 0.00 0.00 174.74 174.52 2djt s ILE 66 N -3.30 -0.62 -1.33 0.60 1.01 -1.24 -2.29 121.20 114.04 2djt s ILE 66 Ca 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 2djt s ILE 66 Cb 0.01 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2djt s ILE 66 CO 0.25 0.02 0.21 0.59 0.00 0.00 0.00 174.94 176.02 2djt n ASN 67 N 5.09 -4.64 -1.02 3.58 3.02 0.45 -0.87 115.26 120.87 2djt n ASN 67 Ca -0.14 -0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.29 2djt n ASN 67 Cb 0.52 -3.86 0.01 0.00 -0.61 0.00 0.00 39.78 35.84 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 -1.05 0.28 3.80 7.41 0.00 -1.26 -5.05 105.19 109.32 2djt n GLY 68 Ca -0.13 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2djt n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2djt s GLU 69 N -4.77 2.21 -0.37 1.61 -1.05 -0.05 -5.12 118.70 111.17 2djt s GLU 69 Ca 0.07 -2.21 -0.04 0.00 -0.15 0.00 0.00 54.97 52.65 2djt s GLU 69 Cb -0.03 -1.77 0.08 0.00 -0.44 0.00 0.00 34.13 31.97 2djt s GLU 69 CO 0.09 -0.41 0.13 -1.12 0.95 0.00 0.00 175.26 174.91 2djt s SER 70 N -4.01 5.20 -0.02 0.83 0.01 -1.26 -3.64 113.70 110.81 2djt s SER 70 Ca 0.20 -1.60 0.04 0.00 1.31 0.00 0.00 55.95 55.90 2djt s SER 70 Cb 0.01 -1.82 0.16 0.00 0.21 0.00 0.00 66.02 64.58 2djt s SER 70 CO 0.12 -0.42 0.97 1.07 0.41 0.00 0.00 173.24 175.38 2djt n THR 71 N 4.67 0.40 -0.21 1.44 5.66 -1.25 -4.12 114.28 120.89 2djt n THR 71 Ca -0.08 -0.26 0.07 0.00 -3.05 0.00 0.00 64.05 60.73 2djt n THR 71 Cb 0.43 -0.14 0.35 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.93 0.75 -0.03 1.09 5.75 -1.92 -3.06 115.11 118.62 2djt h GLN 72 Ca 0.00 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 2djt h GLN 72 Cb 0.50 -0.17 -0.25 0.00 1.07 0.00 0.00 27.48 28.63 2djt h GLN 72 CO 0.05 0.49 -0.84 0.41 -2.65 0.00 0.00 178.83 176.29 2djt n GLY 73 N -1.44 2.65 3.94 2.39 0.00 -1.26 -5.08 105.19 106.38 2djt n GLY 73 Ca 0.12 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.39 4.27 0.00 0.99 1.43 -1.16 -5.12 118.68 117.71 2djt s LEU 74 Ca 0.36 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 2djt s LEU 74 Cb 0.38 -3.06 0.06 0.00 0.03 0.00 0.00 46.19 43.61 2djt s LEU 74 CO -0.12 -0.01 0.52 0.35 0.23 0.00 0.00 176.35 177.32 2djt n THR 75 N -0.68 0.00 -0.19 5.49 -2.24 -1.26 -4.39 114.28 111.01 2djt n THR 75 Ca -0.06 -1.74 -0.02 0.00 -2.27 0.00 0.00 64.05 59.96 2djt n THR 75 Cb 0.54 -0.35 0.18 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.35 0.96 -0.25 4.78 2.76 -1.87 -1.75 115.15 120.13 2djt h HIS 76 Ca -0.26 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 57.74 2djt h HIS 76 Cb 1.07 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 2djt h HIS 76 CO 0.00 0.72 -0.32 0.00 -1.30 0.00 0.00 177.93 177.03 2djt h ALA 77 N 1.37 0.38 0.70 5.26 0.00 -1.95 -2.80 119.26 122.22 2djt h ALA 77 Ca 0.23 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2djt h ALA 77 Cb 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2djt h ALA 77 CO -0.03 0.41 -0.34 1.96 0.00 0.00 0.00 179.25 181.26 2djt h GLN 78 N 0.37 -0.91 -0.77 0.00 1.08 -1.88 -0.72 115.11 112.29 2djt h GLN 78 Ca 0.03 0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.46 2djt h GLN 78 Cb 0.90 0.21 -0.14 0.00 -0.05 0.00 0.00 27.48 28.39 2djt h GLN 78 CO 0.08 -0.61 -0.08 0.00 -0.95 0.00 0.00 178.83 177.27 2djt h ALA 79 N -1.56 0.67 0.42 3.87 0.00 -1.44 -0.78 119.26 120.45 2djt h ALA 79 Ca -0.10 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2djt h ALA 79 Cb 0.72 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2djt h ALA 79 CO 0.16 -0.43 -0.25 0.28 0.00 0.00 0.00 179.25 179.01 2djt h VAL 80 N 0.05 0.00 -0.95 0.00 2.07 -1.41 -2.42 116.25 113.59 2djt h VAL 80 Ca 0.40 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.19 2djt h VAL 80 Cb 0.67 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.27 2djt h VAL 80 CO -0.73 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 176.89 2djt h GLU 81 N -0.63 0.05 0.15 1.57 4.57 -0.56 0.13 114.58 119.86 2djt h GLU 81 Ca -0.06 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2djt h GLU 81 Cb 0.50 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 2djt h GLU 81 CO 0.06 0.03 -0.35 0.00 -1.18 0.00 0.00 179.01 177.58 2djt h ARG 82 N 0.05 -0.57 -0.32 1.92 2.47 -0.95 0.12 114.38 117.09 2djt h ARG 82 Ca 0.60 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 59.43 2djt h ARG 82 Cb 1.25 0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 29.62 2djt h ARG 82 CO -0.84 -0.38 -0.31 0.82 0.56 0.00 0.00 179.97 179.82 2djt h ILE 83 N -0.59 0.27 -0.03 2.04 2.04 -0.26 0.58 117.51 121.57 2djt h ILE 83 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2djt h ILE 83 Cb 0.61 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2djt h ILE 83 CO -0.19 0.00 -0.13 0.03 0.00 0.00 0.00 178.15 177.87 2djt h ARG 84 N -0.28 -0.19 0.00 2.37 3.08 -1.10 -1.24 114.38 117.03 2djt h ARG 84 Ca 0.15 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2djt h ARG 84 Cb 0.52 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2djt h ARG 84 CO -0.47 -0.13 -0.06 0.00 -1.07 0.00 0.00 179.97 178.23 2djt h ALA 85 N 0.79 1.50 -0.89 0.04 0.00 -0.05 -2.80 119.26 117.85 2djt h ALA 85 Ca 0.06 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.12 2djt h ALA 85 Cb 0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 2djt h ALA 85 CO -0.15 0.08 0.39 0.78 0.00 0.00 0.00 179.25 180.35 2djt h GLY 86 N 0.36 1.51 0.00 0.00 0.00 0.14 -3.48 103.07 101.60 2djt h GLY 86 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2djt h GLY 86 CO 0.01 -0.25 0.00 0.61 0.00 0.00 0.00 176.54 176.91 2djt n GLY 87 N -1.34 0.73 0.20 4.60 0.00 -1.06 -4.80 105.19 103.52 2djt n GLY 87 Ca 0.22 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 44.29 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 -5.48 1.61 0.13 -1.92 -3.43 132.00 122.91 2djt h PRO 88 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2djt h PRO 88 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2djt h PRO 88 CO 0.00 0.33 -0.50 -0.65 -0.23 0.00 0.00 178.00 176.95 2djt s GLN 89 N -3.85 3.77 -0.09 0.86 -1.52 -1.26 -2.59 119.66 114.98 2djt s GLN 89 Ca -0.01 -0.20 -0.12 0.00 -1.95 0.00 0.00 55.36 53.08 2djt s GLN 89 Cb 0.12 -3.27 -0.05 0.00 -0.22 0.00 0.00 33.01 29.60 2djt s GLN 89 CO 0.68 0.54 0.30 -1.17 -0.25 0.00 0.00 175.29 175.39 2djt s LEU 90 N -0.35 4.37 -0.23 2.90 0.20 -1.04 -4.89 118.68 119.64 2djt s LEU 90 Ca 0.11 0.68 -0.03 0.00 0.69 0.00 0.00 54.13 55.58 2djt s LEU 90 Cb -0.12 -2.38 0.07 0.00 -0.43 0.00 0.00 46.19 43.34 2djt s LEU 90 CO 0.01 0.26 0.06 -2.28 -0.29 0.00 0.00 176.35 174.12 2djt s HIS 91 N -0.50 1.07 -0.06 5.38 2.46 -1.24 -3.51 115.29 118.88 2djt s HIS 91 Ca 0.19 -1.05 0.03 0.00 0.47 0.00 0.00 55.06 54.70 2djt s HIS 91 Cb -0.14 -1.16 0.01 0.00 -0.13 0.00 0.00 32.58 31.16 2djt s HIS 91 CO 0.08 -0.70 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.00 2djt s LEU 92 N 1.84 1.73 -0.29 8.88 1.43 -1.23 -0.41 118.68 130.63 2djt s LEU 92 Ca 0.03 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 2djt s LEU 92 Cb -0.17 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2djt s LEU 92 CO -0.16 0.06 0.60 -0.69 0.23 0.00 0.00 176.35 176.40 2djt s VAL 93 N 0.51 4.97 0.08 -1.59 1.01 -0.97 -1.22 120.40 123.20 2djt s VAL 93 Ca -0.12 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.80 2djt s VAL 93 Cb -0.15 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2djt s VAL 93 CO 0.04 -0.07 -0.16 -0.63 0.00 0.00 0.00 175.10 174.28 2djt s ILE 94 N 2.52 1.28 -0.15 2.22 -1.09 -0.06 -2.14 121.20 123.78 2djt s ILE 94 Ca 0.24 -1.39 -0.04 0.00 -2.23 0.00 0.00 60.65 57.24 2djt s ILE 94 Cb -0.15 -1.22 0.05 0.00 -1.58 0.00 0.00 42.46 39.56 2djt s ILE 94 CO 0.11 -0.19 0.06 -0.60 -1.23 0.00 0.00 174.94 173.09 2djt s ARG 95 N -1.83 0.25 -0.05 2.79 3.52 -1.17 -0.62 118.95 121.84 2djt s ARG 95 Ca 0.01 -0.10 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 2djt s ARG 95 Cb -0.10 -1.67 -0.09 0.00 -1.56 0.00 0.00 34.95 31.53 2djt s ARG 95 CO 0.03 -0.59 1.99 -2.13 -0.81 0.00 0.00 175.30 173.79 2djt n ARG 96 N 5.21 2.47 -2.22 5.12 0.63 -1.26 -4.38 116.66 122.23 2djt n ARG 96 Ca -0.07 0.88 -0.41 0.00 -0.92 0.00 0.00 57.85 57.32 2djt n ARG 96 Cb 0.49 -2.91 -0.03 0.00 0.45 0.00 0.00 32.46 30.46 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 4.69 4.38 -0.34 -0.14 0.04 -1.26 -4.87 135.00 137.50 2djt s PRO 97 Ca 0.93 2.05 -0.36 0.00 0.04 0.00 0.00 61.00 63.66 2djt s PRO 97 Cb -0.52 -3.20 -0.16 0.00 0.04 0.00 0.00 34.50 30.67 2djt s PRO 97 CO 0.44 -0.27 1.19 -0.11 0.04 0.00 0.00 177.00 178.29 2djt n LEU 98 N 2.78 0.82 -4.06 -3.56 7.94 -1.26 -4.93 117.00 114.73 2djt n LEU 98 Ca 0.07 0.92 -0.19 0.00 -1.11 0.00 0.00 56.01 55.70 2djt n LEU 98 Cb 0.43 -0.69 -0.14 0.00 0.53 0.00 0.00 43.42 43.55 2djt n LEU 98 CO 0.58 -0.76 -0.44 -0.55 -1.11 0.00 0.00 177.39 175.11 2djt s SER 99 N 2.03 1.22 0.00 1.96 0.15 -1.26 -5.04 113.70 112.76 2djt s SER 99 Ca 0.80 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2djt s SER 99 Cb -1.14 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2djt s SER 99 CO 0.61 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.72 2djt n GLY 100 N 2.46 -1.90 0.00 9.45 0.00 -1.26 -4.93 105.19 109.01 2djt n GLY 100 Ca -0.16 0.55 0.08 0.00 0.00 0.00 0.00 46.02 46.49 2djt n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djt n PRO 101 N -1.32 0.44 -1.10 1.61 -0.04 -1.26 -4.88 135.00 128.44 2djt n PRO 101 Ca 0.00 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 2djt n PRO 101 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2djt n PRO 101 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2djt n SER 102 N -1.06 -0.35 -3.73 3.54 3.41 -1.26 -4.94 113.62 109.24 2djt n SER 102 Ca 0.11 0.87 -0.29 0.00 -0.26 0.00 0.00 58.87 59.30 2djt n SER 102 Cb 0.07 -0.70 -0.16 0.00 -0.26 0.00 0.00 64.21 63.16 2djt n SER 102 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2djt s SER 103 N -0.27 3.34 0.00 4.04 0.01 -1.26 -5.23 113.70 114.32 2djt s SER 103 Ca 0.61 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2djt s SER 103 Cb -0.86 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2djt s SER 103 CO 0.43 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.34