#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 6.67 -0.01 1.61 0.15 -1.26 -4.93 113.70 115.94 2djt s SER 2 Ca 0.00 2.45 -0.23 0.00 0.70 0.00 0.00 55.95 58.87 2djt s SER 2 Cb 0.00 -2.58 -0.20 0.00 -1.71 0.00 0.00 66.02 61.53 2djt s SER 2 CO 0.00 -0.80 1.16 0.77 1.20 0.00 0.00 173.24 175.58 2djt h SER 3 N 7.48 0.27 0.00 5.45 4.64 -2.10 -3.50 113.55 125.78 2djt h SER 3 Ca -0.42 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 2djt h SER 3 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2djt h SER 3 CO 0.91 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 178.35 2djt n GLY 4 N 0.67 0.21 3.83 -0.77 0.00 -1.26 -5.04 105.19 102.84 2djt n GLY 4 Ca -0.08 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 2djt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djt s SER 5 N -4.00 5.59 -0.47 1.61 1.04 -1.26 -4.95 113.70 111.26 2djt s SER 5 Ca 0.00 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 2djt s SER 5 Cb 0.00 -2.47 0.24 0.00 0.10 0.00 0.00 66.02 63.89 2djt s SER 5 CO 0.00 -1.30 2.22 -1.54 0.98 0.00 0.00 173.24 173.60 2djt n SER 6 N -3.03 6.83 0.00 7.02 3.41 -1.26 -4.99 113.62 121.61 2djt n SER 6 Ca 0.07 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 2djt n SER 6 Cb 0.54 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.13 -0.95 2.96 5.00 0.00 -1.26 -5.01 105.19 106.07 2djt n GLY 7 Ca 0.44 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 2djt n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2djt s GLN 8 N 0.00 0.27 -0.21 1.61 -0.44 -1.26 -5.13 119.66 114.50 2djt s GLN 8 Ca 0.00 -0.44 -0.06 0.00 -2.50 0.00 0.00 55.36 52.36 2djt s GLN 8 Cb 0.00 -0.01 0.10 0.00 -1.64 0.00 0.00 33.01 31.45 2djt s GLN 8 CO 0.00 -0.01 0.42 0.00 0.50 0.00 0.00 175.29 176.19 2djt s ALA 9 N -0.97 -1.16 -0.43 1.58 0.00 -1.26 -4.90 121.76 114.62 2djt s ALA 9 Ca -0.10 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 2djt s ALA 9 Cb -0.07 -1.38 0.06 0.00 0.00 0.00 0.00 23.12 21.73 2djt s ALA 9 CO -0.00 -0.83 0.14 0.43 0.00 0.00 0.00 175.76 175.49 2djt n SER 10 N 5.39 -1.11 -4.85 0.00 7.64 -1.26 -4.85 113.62 114.58 2djt n SER 10 Ca -0.08 0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 2djt n SER 10 Cb 0.50 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 2djt n SER 10 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2djt s GLY 11 N -2.14 2.37 0.13 0.23 0.00 -1.26 -5.02 107.32 101.63 2djt s GLY 11 Ca 0.19 -0.35 -0.33 0.00 0.00 0.00 0.00 44.72 44.23 2djt s GLY 11 CO 0.24 -0.01 0.91 -2.39 0.00 0.00 0.00 173.10 171.85 2djt n HIS 12 N 1.92 0.48 -3.85 1.90 -0.00 -1.26 -4.97 115.22 109.44 2djt n HIS 12 Ca -0.16 0.90 -0.26 0.00 -0.00 0.00 0.00 57.72 58.21 2djt n HIS 12 Cb 0.53 -2.11 -0.01 0.00 -0.00 0.00 0.00 29.99 28.40 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 -0.44 1.74 0.32 -1.40 -0.12 -0.35 -4.94 117.98 112.79 2djt s PHE 13 Ca 0.75 -0.80 0.09 0.00 -0.05 0.00 0.00 56.93 56.92 2djt s PHE 13 Cb -1.00 -1.94 -0.05 0.00 -0.63 0.00 0.00 43.02 39.39 2djt s PHE 13 CO 0.55 -0.44 -0.01 -1.54 -0.05 0.00 0.00 175.22 173.73 2djt s SER 14 N -4.26 4.21 -0.17 1.98 1.04 -1.26 -0.82 113.70 114.41 2djt s SER 14 Ca 0.36 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2djt s SER 14 Cb -0.02 -0.58 0.03 0.00 0.10 0.00 0.00 66.02 65.55 2djt s SER 14 CO 0.22 -0.16 -0.13 -0.69 0.98 0.00 0.00 173.24 173.46 2djt s VAL 15 N -2.47 1.67 -0.15 5.02 1.01 0.22 -4.87 120.40 120.84 2djt s VAL 15 Ca 0.34 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2djt s VAL 15 Cb -0.02 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2djt s VAL 15 CO 0.19 0.35 -0.05 -0.70 0.00 0.00 0.00 175.10 174.89 2djt s GLU 16 N 1.42 3.62 0.26 2.72 2.56 -1.25 -2.62 118.70 125.40 2djt s GLU 16 Ca 0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 54.97 54.37 2djt s GLU 16 Cb -0.14 -2.86 -0.01 0.00 2.00 0.00 0.00 34.13 33.11 2djt s GLU 16 CO -0.10 0.24 0.39 -0.51 -0.56 0.00 0.00 175.26 174.71 2djt s LEU 17 N 0.36 0.68 -0.14 2.70 1.43 -1.17 -5.00 118.68 117.54 2djt s LEU 17 Ca -0.05 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 2djt s LEU 17 Cb -0.14 1.35 0.02 0.00 0.03 0.00 0.00 46.19 47.44 2djt s LEU 17 CO 0.03 -1.10 -0.14 -0.69 0.23 0.00 0.00 176.35 174.69 2djt s VAL 18 N -3.85 1.53 -0.49 -1.59 1.01 -1.26 -2.92 120.40 112.83 2djt s VAL 18 Ca 0.28 -0.61 -0.43 0.00 0.00 0.00 0.00 61.98 61.22 2djt s VAL 18 Cb 0.01 -1.44 -0.19 0.00 0.00 0.00 0.00 36.38 34.77 2djt s VAL 18 CO 0.12 0.45 1.98 -1.14 0.00 0.00 0.00 175.10 176.52 2djt n ARG 19 N 4.75 0.00 0.00 2.72 0.63 -1.16 -4.90 116.66 118.69 2djt n ARG 19 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2djt n ARG 19 Cb 0.50 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.95 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 6.66 -1.65 0.16 5.14 0.00 -1.24 -4.92 105.19 109.33 2djt n GLY 20 Ca 0.49 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 2djt n GLY 20 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2djt h TYR 21 N -0.44 0.19 -2.94 1.61 -0.00 -1.98 -3.37 116.97 110.04 2djt h TYR 21 Ca 0.00 0.02 -0.59 0.00 -0.00 0.00 0.00 58.73 58.16 2djt h TYR 21 Cb 0.00 -0.03 -0.40 0.00 -0.00 0.00 0.00 36.73 36.30 2djt h TYR 21 CO 0.00 0.06 -0.77 0.00 -0.00 0.00 0.00 178.16 177.45 2djt s ALA 22 N -6.16 1.64 0.44 0.10 0.00 -1.26 -5.10 121.76 111.42 2djt s ALA 22 Ca -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.72 2djt s ALA 22 Cb 0.12 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2djt s ALA 22 CO 0.71 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2djt n GLY 23 N 4.10 -2.38 0.22 0.00 0.00 -1.26 -4.31 105.19 101.56 2djt n GLY 23 Ca 0.06 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.37 0.00 -0.66 1.61 0.04 -1.92 -3.29 116.94 111.34 2djt h PHE 24 Ca -0.06 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.60 2djt h PHE 24 Cb 1.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 2djt h PHE 24 CO -0.59 0.00 -0.13 0.41 -0.60 0.00 0.00 178.31 177.40 2djt n GLY 25 N 0.77 0.29 3.57 -1.45 0.00 -1.26 -3.93 105.19 103.19 2djt n GLY 25 Ca 0.03 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.51 3.67 0.15 0.99 2.96 -1.26 -1.46 118.68 122.23 2djt s LEU 26 Ca 0.00 -0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.00 2djt s LEU 26 Cb 0.00 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2djt s LEU 26 CO 0.00 0.11 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.02 2djt s THR 27 N 0.72 2.12 0.08 3.68 2.01 -1.21 -5.06 115.64 117.99 2djt s THR 27 Ca 0.03 -1.85 0.09 0.00 0.31 0.00 0.00 61.69 60.27 2djt s THR 27 Cb -0.13 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2djt s THR 27 CO 0.02 -0.08 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.88 2djt s LEU 28 N -2.36 2.24 -0.29 4.42 1.43 -1.26 -1.05 118.68 121.80 2djt s LEU 28 Ca 0.15 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2djt s LEU 28 Cb -0.09 -1.05 0.08 0.00 0.03 0.00 0.00 46.19 45.17 2djt s LEU 28 CO 0.07 0.15 0.01 -0.83 0.23 0.00 0.00 176.35 175.98 2djt s GLY 29 N -1.57 1.49 0.00 -3.19 0.00 -1.11 -4.79 107.32 98.15 2djt s GLY 29 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2djt s GLY 29 CO 0.03 1.06 0.00 0.61 0.00 0.00 0.00 173.10 174.80 2djt n GLY 30 N 4.55 0.18 0.40 0.20 0.00 -1.26 -4.47 105.19 104.78 2djt n GLY 30 Ca -0.04 -1.24 0.05 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.13 3.57 -0.02 0.00 -0.83 -4.68 105.19 101.11 2djt n GLY 31 Ca 0.00 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 2djt n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2djt s ARG 32 N -2.33 2.76 0.24 1.61 3.52 -1.10 -2.34 118.95 121.31 2djt s ARG 32 Ca 0.00 1.35 0.10 0.00 -0.13 0.00 0.00 55.73 57.05 2djt s ARG 32 Cb 0.00 -4.39 -0.05 0.00 -1.56 0.00 0.00 34.95 28.95 2djt s ARG 32 CO 0.00 -2.53 -0.19 -0.51 -0.81 0.00 0.00 175.30 171.26 2djt s ASP 33 N 8.80 3.22 0.26 -2.12 1.01 0.11 -3.11 116.67 124.84 2djt s ASP 33 Ca 0.86 -1.00 -0.03 0.00 0.71 0.00 0.00 52.55 53.09 2djt s ASP 33 Cb -0.21 -0.24 0.33 0.00 1.01 0.00 0.00 42.92 43.82 2djt s ASP 33 CO 0.29 -0.02 1.81 1.62 0.21 0.00 0.00 175.17 179.08 2djt h VAL 34 N 2.52 1.23 -0.45 -1.27 3.04 -2.00 -2.11 116.25 117.22 2djt h VAL 34 Ca -0.40 -0.81 -0.17 0.00 -1.01 0.00 0.00 66.70 64.31 2djt h VAL 34 Cb 1.24 0.56 -0.10 0.00 -2.01 0.00 0.00 31.29 30.98 2djt h VAL 34 CO 0.59 0.31 0.22 0.00 -1.01 0.00 0.00 177.57 177.67 2djt n ALA 35 N -2.45 3.81 0.00 3.17 0.00 -1.26 -4.90 120.51 118.88 2djt n ALA 35 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2djt n ALA 35 Cb 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.10 4.67 3.23 0.00 0.00 -0.79 -5.11 105.19 107.07 2djt n GLY 36 Ca 0.26 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 2djt n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2djt s ASP 37 N 0.00 4.55 0.11 1.61 1.11 -1.25 0.09 116.67 122.89 2djt s ASP 37 Ca 0.00 -0.88 0.04 0.00 0.18 0.00 0.00 52.55 51.89 2djt s ASP 37 Cb 0.00 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.24 2djt s ASP 37 CO 0.00 -0.16 -0.11 0.42 1.18 0.00 0.00 175.17 176.51 2djt s THR 38 N 1.35 1.03 -0.18 -1.27 -4.23 -0.99 -4.92 115.64 106.43 2djt s THR 38 Ca 0.00 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 2djt s THR 38 Cb -0.17 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 2djt s THR 38 CO -0.03 -0.54 1.59 -2.16 -0.54 0.00 0.00 174.62 172.94 2djt s PRO 39 N -2.83 3.91 0.03 3.99 0.04 -1.26 -1.96 135.00 136.92 2djt s PRO 39 Ca 0.07 1.76 -0.35 0.00 0.04 0.00 0.00 61.00 62.52 2djt s PRO 39 Cb -0.03 -4.00 -0.14 0.00 0.04 0.00 0.00 34.50 30.38 2djt s PRO 39 CO 0.01 -1.15 1.66 1.28 0.04 0.00 0.00 177.00 178.84 2djt n LEU 40 N 8.00 2.95 -3.73 -3.56 4.77 -1.26 -4.31 117.00 119.86 2djt n LEU 40 Ca 0.18 1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 57.08 2djt n LEU 40 Cb 0.45 -1.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 2djt n LEU 40 CO 0.63 -0.33 0.09 0.00 -1.33 0.00 0.00 177.39 176.46 2djt s ALA 41 N 2.14 -1.03 0.21 -1.18 0.00 -1.26 -1.45 121.76 119.19 2djt s ALA 41 Ca 0.86 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.70 2djt s ALA 41 Cb -0.76 -0.69 -0.16 0.00 0.00 0.00 0.00 23.12 21.52 2djt s ALA 41 CO 0.46 -0.20 0.89 0.28 0.00 0.00 0.00 175.76 177.20 2djt n VAL 42 N 2.87 1.58 -0.00 0.00 0.31 -1.22 -2.74 118.33 119.13 2djt n VAL 42 Ca -0.13 -0.39 -0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2djt n VAL 42 Cb 0.57 -0.57 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 1.13 0.00 -4.45 5.55 0.00 -0.22 -3.39 116.66 115.28 2djt n ARG 43 Ca 0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.74 2djt n ARG 43 Cb 0.26 -0.30 -0.11 0.00 0.00 0.00 0.00 32.46 32.31 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 1.80 -0.30 5.14 0.00 -1.25 -4.81 107.32 104.90 2djt s GLY 44 Ca -0.00 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 42.98 2djt s GLY 44 CO 0.00 -1.83 -0.02 1.08 0.00 0.00 0.00 173.10 172.34 2djt s LEU 45 N -3.12 4.11 -0.32 0.66 1.43 -1.26 -3.33 118.68 116.86 2djt s LEU 45 Ca 0.26 -1.71 -0.38 0.00 -1.03 0.00 0.00 54.13 51.26 2djt s LEU 45 Cb -0.06 -1.62 -0.14 0.00 0.03 0.00 0.00 46.19 44.40 2djt s LEU 45 CO 0.13 -0.29 1.96 -0.11 0.23 0.00 0.00 176.35 178.27 2djt n LEU 46 N 4.39 2.19 -4.50 1.79 -0.00 -0.53 -4.87 117.00 115.48 2djt n LEU 46 Ca -0.06 0.78 -0.36 0.00 -0.00 0.00 0.00 56.01 56.36 2djt n LEU 46 Cb 0.42 -1.17 0.07 0.00 -0.00 0.00 0.00 43.42 42.74 2djt n LEU 46 CO 0.23 -0.55 0.17 1.17 -0.00 0.00 0.00 177.39 178.40 2djt n LYS 47 N 6.75 0.35 -2.42 1.96 3.00 -1.26 -1.60 118.16 124.94 2djt n LYS 47 Ca 0.35 0.16 -0.09 0.00 -0.00 0.00 0.00 58.31 58.73 2djt n LYS 47 Cb 0.16 -1.91 -0.01 0.00 0.00 0.00 0.00 35.03 33.27 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 -0.58 -3.00 -5.00 3.14 5.68 -1.26 -4.92 116.55 110.60 2djt n ASP 48 Ca 0.11 0.28 -0.19 0.00 -0.50 0.00 0.00 54.79 54.49 2djt n ASP 48 Cb 0.50 -2.61 0.03 0.00 -1.14 0.00 0.00 41.12 37.90 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 -2.01 1.89 0.08 6.12 0.00 -0.63 -4.99 107.32 107.78 2djt s GLY 49 Ca 0.00 -1.89 -0.17 0.00 0.00 0.00 0.00 44.72 42.67 2djt s GLY 49 CO 0.00 -1.63 1.39 -0.56 0.00 0.00 0.00 173.10 172.31 2djt h PRO 50 N 0.46 0.59 0.68 2.90 0.13 -1.85 -2.21 132.00 132.70 2djt h PRO 50 Ca -0.35 -0.31 -0.03 0.00 -0.87 0.00 0.00 66.00 64.44 2djt h PRO 50 Cb 1.28 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2djt h PRO 50 CO 0.45 0.90 -0.33 0.00 -0.23 0.00 0.00 178.00 178.80 2djt h ALA 51 N 0.67 -0.91 -0.33 -0.56 0.00 -1.90 -1.59 119.26 114.64 2djt h ALA 51 Ca 0.04 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2djt h ALA 51 Cb 0.80 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 2djt h ALA 51 CO 0.06 -0.91 -0.12 0.37 0.00 0.00 0.00 179.25 178.64 2djt h GLN 52 N -1.10 -0.06 -0.72 0.00 5.75 -1.81 -1.09 115.11 116.09 2djt h GLN 52 Ca -0.09 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.51 2djt h GLN 52 Cb 0.73 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.22 2djt h GLN 52 CO 0.15 -0.04 0.36 0.00 -2.65 0.00 0.00 178.83 176.65 2djt h ARG 53 N -0.06 0.58 -0.62 1.69 3.08 -1.41 -0.81 114.38 116.83 2djt h ARG 53 Ca 0.16 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2djt h ARG 53 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2djt h ARG 53 CO -0.37 0.38 0.31 0.00 -1.07 0.00 0.00 179.97 179.23 2djt n GLY 55 N -1.17 1.13 0.31 0.00 0.00 -0.31 -4.77 105.19 100.38 2djt n GLY 55 Ca 0.06 -0.02 0.28 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 -3.68 1.61 1.74 -1.26 -3.94 116.66 111.10 2djt n ARG 56 Ca 0.00 1.05 -0.35 0.00 -0.77 0.00 0.00 57.85 57.77 2djt n ARG 56 Cb 0.00 -1.96 -0.08 0.00 -1.02 0.00 0.00 32.46 29.40 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 -9.12 4.21 0.16 0.55 1.43 -1.26 -5.09 118.68 109.56 2djt s LEU 57 Ca -0.07 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2djt s LEU 57 Cb 0.26 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2djt s LEU 57 CO 0.63 0.15 -0.04 -1.61 0.23 0.00 0.00 176.35 175.72 2djt s GLU 58 N 0.43 1.07 0.07 1.70 0.41 -1.25 -4.76 118.70 116.37 2djt s GLU 58 Ca 0.10 -1.49 -0.31 0.00 -0.41 0.00 0.00 54.97 52.86 2djt s GLU 58 Cb -0.12 -0.39 -0.07 0.00 -1.78 0.00 0.00 34.13 31.77 2djt s GLU 58 CO -0.00 -0.05 1.38 0.08 -0.49 0.00 0.00 175.26 176.17 2djt s VAL 59 N -3.54 3.51 0.00 2.63 1.01 -1.26 -3.05 120.40 119.70 2djt s VAL 59 Ca 0.20 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2djt s VAL 59 Cb 0.05 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2djt s VAL 59 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2djt n GLY 60 N 3.52 0.94 3.81 4.51 0.00 -1.22 -5.05 105.19 111.71 2djt n GLY 60 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.97 5.96 -0.24 1.61 1.11 -1.17 -4.90 116.67 117.07 2djt s ASP 61 Ca 0.00 1.78 -0.05 0.00 0.18 0.00 0.00 52.55 54.46 2djt s ASP 61 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 2djt s ASP 61 CO 0.00 -1.04 0.01 -0.76 1.18 0.00 0.00 175.17 174.56 2djt s LEU 62 N -4.35 3.19 -0.22 1.23 1.43 -1.26 -3.39 118.68 115.30 2djt s LEU 62 Ca 0.63 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 2djt s LEU 62 Cb -0.15 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2djt s LEU 62 CO 0.35 -0.04 0.68 -0.69 0.23 0.00 0.00 176.35 176.87 2djt s VAL 63 N 1.53 4.96 -0.18 -1.59 1.01 -0.53 -1.56 120.40 124.04 2djt s VAL 63 Ca 0.06 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.38 2djt s VAL 63 Cb -0.15 -3.99 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 2djt s VAL 63 CO -0.00 0.04 0.12 0.18 0.00 0.00 0.00 175.10 175.44 2djt n LEU 64 N 5.48 1.66 0.00 3.92 4.77 -0.63 -4.65 117.00 127.55 2djt n LEU 64 Ca 0.01 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2djt n LEU 64 Cb 0.49 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2djt n LEU 64 CO 0.44 0.70 0.21 1.41 -1.33 0.00 0.00 177.39 178.83 2djt n HIS 65 N -3.11 -1.46 -3.66 -1.77 8.25 -1.19 -4.23 115.22 108.04 2djt n HIS 65 Ca -0.35 -1.65 -0.07 0.00 -0.26 0.00 0.00 57.72 55.39 2djt n HIS 65 Cb 1.06 0.50 -0.08 0.00 1.12 0.00 0.00 29.99 32.59 2djt n HIS 65 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2djt s ILE 66 N -2.60 -0.34 -1.40 1.59 1.01 -0.71 -2.20 121.20 116.55 2djt s ILE 66 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 2djt s ILE 66 Cb -0.02 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2djt s ILE 66 CO 0.14 0.03 0.41 0.59 0.00 0.00 0.00 174.94 176.10 2djt n ASN 67 N 4.76 -0.54 -1.40 3.58 3.02 0.13 0.80 115.26 125.61 2djt n ASN 67 Ca -0.17 -1.03 -0.17 0.00 -0.03 0.00 0.00 54.58 53.17 2djt n ASN 67 Cb 0.54 -2.93 -0.07 0.00 -0.61 0.00 0.00 39.78 36.70 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 -2.02 1.67 3.66 7.41 0.00 -1.26 -4.95 105.19 109.69 2djt n GLY 68 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.47 2.88 -0.28 1.61 2.56 0.24 -5.08 118.70 117.16 2djt s GLU 69 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 54.97 54.23 2djt s GLU 69 Cb 0.00 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.41 2djt s GLU 69 CO 0.00 0.68 0.89 -1.54 -0.56 0.00 0.00 175.26 174.73 2djt s SER 70 N -1.01 6.82 -0.02 -1.70 1.04 -1.26 -1.73 113.70 115.83 2djt s SER 70 Ca 0.14 0.94 0.07 0.00 0.48 0.00 0.00 55.95 57.58 2djt s SER 70 Cb -0.11 -2.46 0.23 0.00 0.10 0.00 0.00 66.02 63.78 2djt s SER 70 CO 0.04 -0.64 1.10 1.07 0.98 0.00 0.00 173.24 175.78 2djt n THR 71 N 5.49 0.50 0.33 2.02 5.66 -1.26 -4.13 114.28 122.89 2djt n THR 71 Ca 0.07 -0.37 0.20 0.00 -3.05 0.00 0.00 64.05 60.90 2djt n THR 71 Cb 0.47 -0.01 1.04 0.00 -1.55 0.00 0.00 70.33 70.28 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 1.39 0.00 0.00 1.09 5.75 -1.91 -2.58 115.11 118.85 2djt h GLN 72 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2djt h GLN 72 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2djt h GLN 72 CO 0.05 0.00 -0.30 0.41 -2.65 0.00 0.00 178.83 176.34 2djt n GLY 73 N -1.15 -0.88 3.54 2.39 0.00 -1.26 -5.06 105.19 102.77 2djt n GLY 73 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.87 0.00 0.99 1.43 -0.97 -5.07 118.68 118.92 2djt s LEU 74 Ca 0.00 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2djt s LEU 74 Cb 0.00 -2.06 0.13 0.00 0.03 0.00 0.00 46.19 44.29 2djt s LEU 74 CO 0.00 -0.06 0.60 0.35 0.23 0.00 0.00 176.35 177.47 2djt n THR 75 N 5.02 0.00 -0.35 5.49 -2.24 -1.26 -4.52 114.28 116.42 2djt n THR 75 Ca -0.15 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 2djt n THR 75 Cb 0.52 -1.44 0.15 0.00 -2.10 0.00 0.00 70.33 67.45 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 -1.74 1.20 -0.35 4.78 2.76 -1.83 0.74 115.15 120.71 2djt h HIS 76 Ca -0.21 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.86 2djt h HIS 76 Cb 0.60 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2djt h HIS 76 CO 0.00 0.74 -0.30 0.00 -1.30 0.00 0.00 177.93 177.07 2djt h ALA 77 N 1.41 0.51 0.54 5.26 0.00 -1.92 -2.77 119.26 122.30 2djt h ALA 77 Ca 0.36 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2djt h ALA 77 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2djt h ALA 77 CO -0.09 0.55 -0.26 1.96 0.00 0.00 0.00 179.25 181.41 2djt h GLN 78 N 0.62 -0.70 -1.09 0.00 1.08 -1.78 -0.08 115.11 113.16 2djt h GLN 78 Ca 0.06 0.05 0.30 0.00 -1.45 0.00 0.00 58.65 57.61 2djt h GLN 78 Cb 0.88 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 28.39 2djt h GLN 78 CO 0.08 -0.40 0.73 0.00 -0.95 0.00 0.00 178.83 178.29 2djt h ALA 79 N -0.82 2.56 0.15 3.87 0.00 -0.95 0.20 119.26 124.27 2djt h ALA 79 Ca -0.07 0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 2djt h ALA 79 Cb 0.63 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2djt h ALA 79 CO 0.12 -0.95 -1.30 0.28 0.00 0.00 0.00 179.25 177.40 2djt h VAL 80 N 0.24 1.28 0.00 0.00 2.07 -1.37 -3.19 116.25 115.28 2djt h VAL 80 Ca 0.58 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2djt h VAL 80 Cb 1.79 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 34.34 2djt h VAL 80 CO -0.19 0.76 0.00 -0.08 0.02 0.00 0.00 177.57 178.08 2djt h GLU 81 N 0.24 0.00 0.09 1.57 4.81 0.13 -1.90 114.58 119.52 2djt h GLU 81 Ca -0.21 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.75 2djt h GLU 81 Cb 1.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 2djt h GLU 81 CO 0.25 0.00 -1.35 0.00 -0.73 0.00 0.00 179.01 177.18 2djt h ARG 82 N 0.00 0.18 -0.08 1.92 2.47 -1.21 -3.00 114.38 114.66 2djt h ARG 82 Ca 0.00 -0.31 -0.09 0.00 -1.26 0.00 0.00 59.98 58.31 2djt h ARG 82 Cb 0.20 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2djt h ARG 82 CO 0.00 1.07 -0.32 0.82 0.56 0.00 0.00 179.97 182.10 2djt h ILE 83 N 0.05 1.41 -0.82 2.04 2.04 -1.36 -1.50 117.51 119.36 2djt h ILE 83 Ca -0.17 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 2djt h ILE 83 Cb 1.95 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 40.26 2djt h ILE 83 CO 0.16 0.49 0.34 0.08 0.00 0.00 0.00 178.15 179.23 2djt h ARG 84 N -0.11 1.21 -0.00 2.37 0.11 -1.58 -1.75 114.38 114.63 2djt h ARG 84 Ca -0.02 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.85 2djt h ARG 84 Cb 0.96 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2djt h ARG 84 CO 0.07 0.96 -0.01 0.00 0.10 0.00 0.00 179.97 181.09 2djt n ALA 85 N -2.43 2.36 0.30 0.08 0.00 -1.13 -3.50 120.51 116.19 2djt n ALA 85 Ca 0.08 -0.11 0.19 0.00 0.00 0.00 0.00 53.44 53.60 2djt n ALA 85 Cb 0.18 -1.47 0.99 0.00 0.00 0.00 0.00 19.45 19.15 2djt n ALA 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2djt h GLY 86 N 5.00 0.00 0.00 0.00 0.00 -0.31 -3.48 103.07 104.27 2djt h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2djt h GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2djt n GLY 87 N -0.90 -1.54 0.25 4.60 0.00 -1.23 -4.43 105.19 101.95 2djt n GLY 87 Ca -0.02 -2.00 0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 -5.19 1.61 0.13 -1.93 -3.42 132.00 123.20 2djt h PRO 88 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2djt h PRO 88 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2djt h PRO 88 CO 0.00 0.00 -0.62 -0.65 -0.23 0.00 0.00 178.00 176.50 2djt s GLN 89 N -3.62 3.77 -0.18 0.86 1.11 -1.26 -3.01 119.66 117.33 2djt s GLN 89 Ca 0.01 -0.45 -0.10 0.00 0.01 0.00 0.00 55.36 54.83 2djt s GLN 89 Cb 0.09 -3.13 -0.05 0.00 -1.01 0.00 0.00 33.01 28.91 2djt s GLN 89 CO 0.51 0.13 0.17 -1.17 0.01 0.00 0.00 175.29 174.93 2djt s LEU 90 N 0.72 4.25 -0.12 2.90 0.20 -1.15 -4.81 118.68 120.67 2djt s LEU 90 Ca 0.01 0.33 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 2djt s LEU 90 Cb -0.14 -2.15 0.04 0.00 -0.43 0.00 0.00 46.19 43.51 2djt s LEU 90 CO 0.02 0.20 -0.01 -2.28 -0.29 0.00 0.00 176.35 173.99 2djt s HIS 91 N 0.16 1.05 -0.01 5.38 2.46 -1.24 -3.02 115.29 120.08 2djt s HIS 91 Ca 0.11 -0.58 0.03 0.00 0.47 0.00 0.00 55.06 55.09 2djt s HIS 91 Cb -0.12 -1.01 -0.01 0.00 -0.13 0.00 0.00 32.58 31.32 2djt s HIS 91 CO 0.00 -0.47 -0.09 -0.51 -2.47 0.00 0.00 174.74 171.20 2djt s LEU 92 N 1.85 2.02 -0.41 8.88 1.43 -1.08 0.19 118.68 131.56 2djt s LEU 92 Ca 0.03 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 2djt s LEU 92 Cb -0.14 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.63 2djt s LEU 92 CO -0.07 0.11 0.42 -0.69 0.23 0.00 0.00 176.35 176.35 2djt s VAL 93 N -0.23 5.11 0.01 -1.59 1.01 -0.94 0.73 120.40 124.51 2djt s VAL 93 Ca 0.03 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2djt s VAL 93 Cb -0.04 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2djt s VAL 93 CO -0.00 -0.38 -0.22 -0.63 0.00 0.00 0.00 175.10 173.86 2djt s ILE 94 N 2.08 2.41 -0.26 2.22 -1.09 -0.00 -1.60 121.20 124.95 2djt s ILE 94 Ca 0.11 -1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 57.34 2djt s ILE 94 Cb -0.17 -1.93 0.09 0.00 -1.58 0.00 0.00 42.46 38.86 2djt s ILE 94 CO 0.13 0.45 0.09 -0.60 -1.23 0.00 0.00 174.94 173.78 2djt s ARG 95 N -1.04 0.55 0.21 2.79 3.52 -0.60 -1.21 118.95 123.16 2djt s ARG 95 Ca 0.12 -0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 54.70 2djt s ARG 95 Cb -0.10 -1.82 -0.11 0.00 -1.56 0.00 0.00 34.95 31.35 2djt s ARG 95 CO 0.02 -0.88 1.64 0.50 -0.81 0.00 0.00 175.30 175.78 2djt s ARG 96 N 1.83 4.16 0.00 5.12 3.52 -1.26 -4.14 118.95 128.17 2djt s ARG 96 Ca 0.06 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 2djt s ARG 96 Cb -0.17 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2djt s ARG 96 CO -0.22 -0.68 0.00 -0.35 -0.81 0.00 0.00 175.30 173.24 2djt n PRO 97 N 3.62 -0.88 -3.91 5.12 -0.04 -1.26 -5.02 135.00 132.63 2djt n PRO 97 Ca 0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 2djt n PRO 97 Cb 0.37 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.69 2djt n PRO 97 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2djt s LEU 98 N 0.00 4.65 0.26 1.53 2.34 -1.26 -5.09 118.68 121.10 2djt s LEU 98 Ca 0.00 -2.72 0.04 0.00 0.06 0.00 0.00 54.13 51.51 2djt s LEU 98 Cb 0.00 -1.69 -0.03 0.00 -0.56 0.00 0.00 46.19 43.91 2djt s LEU 98 CO 0.00 -0.31 0.39 -0.55 -1.06 0.00 0.00 176.35 174.82 2djt s SER 99 N 0.31 6.32 0.00 1.48 0.15 -1.26 -4.95 113.70 115.74 2djt s SER 99 Ca 0.15 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2djt s SER 99 Cb -0.23 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2djt s SER 99 CO -0.03 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2djt n GLY 100 N -1.45 -1.52 3.56 9.45 0.00 -1.26 -5.07 105.19 108.90 2djt n GLY 100 Ca -0.08 0.57 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 2djt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djt s PRO 101 N 0.00 2.55 0.24 1.61 0.04 -1.26 -4.83 135.00 133.34 2djt s PRO 101 Ca 0.00 -0.34 -0.10 0.00 0.04 0.00 0.00 61.00 60.59 2djt s PRO 101 Cb 0.00 -5.07 0.35 0.00 0.04 0.00 0.00 34.50 29.81 2djt s PRO 101 CO 0.00 -3.42 1.61 1.03 0.04 0.00 0.00 177.00 176.26 2djt h SER 102 N 11.20 -0.64 -3.57 6.66 0.87 -2.01 -3.39 113.55 122.67 2djt h SER 102 Ca 0.10 0.22 -0.32 0.00 -1.23 0.00 0.00 61.79 60.57 2djt h SER 102 Cb 1.00 0.45 -0.33 0.00 -0.44 0.00 0.00 62.40 63.09 2djt h SER 102 CO 1.21 -0.24 -0.74 -0.44 -0.53 0.00 0.00 176.83 176.09 2djt s SER 103 N -5.23 0.32 0.00 6.23 0.01 -1.26 -5.26 113.70 108.51 2djt s SER 103 Ca -0.14 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2djt s SER 103 Cb 0.22 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2djt s SER 103 CO 0.75 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.94