#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djt n SER 2 N 0.00 1.90 -3.33 1.61 7.64 -1.26 -4.99 113.62 115.20 2djt n SER 2 Ca 0.00 0.32 0.02 0.00 1.01 0.00 0.00 58.87 60.22 2djt n SER 2 Cb 0.00 -0.73 -0.02 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 -6.05 -1.22 0.29 6.43 0.15 -1.26 -5.12 113.70 106.91 2djt s SER 3 Ca -0.29 1.07 0.04 0.00 0.70 0.00 0.00 55.95 57.47 2djt s SER 3 Cb 0.05 2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 66.50 2djt s SER 3 CO 0.42 -0.25 0.13 0.61 1.20 0.00 0.00 173.24 175.35 2djt n GLY 4 N 5.43 3.41 3.73 9.45 0.00 -1.26 -5.12 105.19 120.84 2djt n GLY 4 Ca -0.05 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.83 6.59 -0.40 1.61 1.04 -1.26 -4.83 113.70 113.62 2djt s SER 5 Ca 0.18 2.67 -0.39 0.00 0.48 0.00 0.00 55.95 58.88 2djt s SER 5 Cb 0.01 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.37 2djt s SER 5 CO 0.13 -0.79 2.10 -1.20 0.98 0.00 0.00 173.24 174.46 2djt n SER 6 N 3.17 1.64 0.00 7.02 7.64 -1.26 -4.85 113.62 126.98 2djt n SER 6 Ca 0.11 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2djt n SER 6 Cb 0.39 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2djt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djt n GLY 7 N 6.52 0.05 3.59 0.23 0.00 -1.26 -5.10 105.19 109.21 2djt n GLY 7 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 0.21 2.11 -0.48 1.61 0.74 -1.26 -5.03 119.66 117.55 2djt s GLN 8 Ca 0.00 -1.44 -0.39 0.00 0.05 0.00 0.00 55.36 53.59 2djt s GLN 8 Cb 0.00 -2.09 -0.16 0.00 1.10 0.00 0.00 33.01 31.86 2djt s GLN 8 CO 0.00 0.38 2.22 0.00 -0.55 0.00 0.00 175.29 177.34 2djt n ALA 9 N -0.56 0.60 -2.49 1.58 0.00 -1.26 -4.91 120.51 113.46 2djt n ALA 9 Ca -0.08 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 2djt n ALA 9 Cb 0.58 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 2djt n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2djt s SER 10 N 7.01 4.43 0.00 0.00 0.01 -1.26 -5.06 113.70 118.84 2djt s SER 10 Ca 1.17 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2djt s SER 10 Cb -1.17 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2djt s SER 10 CO 0.56 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2djt n GLY 11 N -1.12 -1.41 2.63 3.44 0.00 -1.26 -5.12 105.19 102.35 2djt n GLY 11 Ca -0.03 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.39 0.07 -4.30 1.61 8.25 -1.26 -4.93 115.22 112.26 2djt n HIS 12 Ca 0.00 0.77 -0.16 0.00 -0.26 0.00 0.00 57.72 58.08 2djt n HIS 12 Cb 0.00 -1.55 -0.10 0.00 1.12 0.00 0.00 29.99 29.46 2djt n HIS 12 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2djt s PHE 13 N -0.37 1.46 0.38 4.41 -0.12 -0.18 -4.98 117.98 118.57 2djt s PHE 13 Ca 0.59 -1.11 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 2djt s PHE 13 Cb -0.84 -0.85 -0.04 0.00 -0.63 0.00 0.00 43.02 40.66 2djt s PHE 13 CO 0.43 -0.27 0.20 -1.12 -0.05 0.00 0.00 175.22 174.41 2djt s SER 14 N -3.28 4.64 -0.12 1.98 0.01 -1.26 0.54 113.70 116.22 2djt s SER 14 Ca 0.33 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2djt s SER 14 Cb 0.07 -0.60 0.02 0.00 0.21 0.00 0.00 66.02 65.72 2djt s SER 14 CO 0.11 -0.45 -0.13 -0.69 0.41 0.00 0.00 173.24 172.48 2djt s VAL 15 N -2.50 1.42 -0.27 3.43 1.01 0.60 -4.86 120.40 119.22 2djt s VAL 15 Ca 0.41 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2djt s VAL 15 Cb -0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2djt s VAL 15 CO 0.23 0.43 0.12 -1.61 0.00 0.00 0.00 175.10 174.27 2djt s GLU 16 N 1.28 3.69 0.01 2.72 2.02 -1.25 -2.86 118.70 124.30 2djt s GLU 16 Ca -0.01 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2djt s GLU 16 Cb -0.14 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 2djt s GLU 16 CO -0.06 -0.23 -0.03 -0.51 0.02 0.00 0.00 175.26 174.46 2djt s LEU 17 N 1.66 2.15 -0.31 1.80 1.43 -1.07 -4.98 118.68 119.36 2djt s LEU 17 Ca 0.06 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 2djt s LEU 17 Cb -0.16 0.00 -0.01 0.00 0.03 0.00 0.00 46.19 46.06 2djt s LEU 17 CO 0.06 -0.16 0.15 -0.69 0.23 0.00 0.00 176.35 175.94 2djt s VAL 18 N -0.89 4.61 -0.59 -1.59 1.01 -1.26 -1.31 120.40 120.38 2djt s VAL 18 Ca -0.09 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 2djt s VAL 18 Cb -0.06 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.83 2djt s VAL 18 CO -0.00 0.09 1.81 -1.14 0.00 0.00 0.00 175.10 175.86 2djt n ARG 19 N 4.98 0.00 0.00 2.72 0.63 -1.13 -4.87 116.66 118.99 2djt n ARG 19 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2djt n ARG 19 Cb 0.49 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.31 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 4.99 -2.52 3.57 5.14 0.00 -0.21 -4.60 105.19 111.56 2djt n GLY 20 Ca 0.45 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2djt n GLY 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2djt s TYR 21 N 0.00 2.31 -1.42 1.61 6.14 -1.26 -4.02 117.35 120.72 2djt s TYR 21 Ca 0.00 -0.45 -0.08 0.00 0.64 0.00 0.00 57.07 57.17 2djt s TYR 21 Cb 0.00 -4.39 0.04 0.00 0.42 0.00 0.00 41.96 38.03 2djt s TYR 21 CO 0.00 -1.64 0.94 0.00 0.64 0.00 0.00 175.55 175.49 2djt n ALA 22 N 11.27 -1.55 0.00 3.97 0.00 -1.26 -4.89 120.51 128.05 2djt n ALA 22 Ca 0.43 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2djt n ALA 22 Cb 0.47 -3.78 0.00 0.00 0.00 0.00 0.00 19.45 16.14 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 2.99 0.11 0.00 0.00 -1.26 -5.01 105.19 100.34 2djt n GLY 23 Ca -0.09 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 2djt n GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2djt n PHE 24 N -1.20 0.29 -1.26 1.61 3.72 -1.26 -1.05 117.46 118.31 2djt n PHE 24 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2djt n PHE 24 Cb 0.00 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 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 1.92 0.78 3.44 1.37 0.00 -1.26 -4.00 105.19 107.43 2djt n GLY 25 Ca -0.35 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 3.12 0.08 0.99 2.96 -1.26 -1.29 118.68 123.28 2djt s LEU 26 Ca 0.00 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2djt s LEU 26 Cb 0.00 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2djt s LEU 26 CO 0.00 0.11 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.03 2djt s THR 27 N 0.70 1.83 0.13 3.68 2.01 -1.17 -5.04 115.64 117.77 2djt s THR 27 Ca -0.02 -1.44 0.06 0.00 0.31 0.00 0.00 61.69 60.60 2djt s THR 27 Cb -0.15 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2djt s THR 27 CO 0.02 0.10 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.28 2djt s LEU 28 N -1.60 3.33 -0.33 4.42 1.43 -1.26 -0.88 118.68 123.79 2djt s LEU 28 Ca 0.09 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2djt s LEU 28 Cb -0.10 -2.04 0.11 0.00 0.03 0.00 0.00 46.19 44.19 2djt s LEU 28 CO 0.03 0.14 0.12 -0.83 0.23 0.00 0.00 176.35 176.04 2djt s GLY 29 N -2.59 1.22 0.00 -3.19 0.00 -0.41 -4.66 107.32 97.70 2djt s GLY 29 Ca 0.26 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.09 2djt s GLY 29 CO 0.18 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.46 2djt n GLY 30 N 4.57 0.63 1.83 0.20 0.00 -1.26 -3.90 105.19 107.26 2djt n GLY 30 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.79 3.65 -0.02 0.00 0.22 -4.68 105.19 102.57 2djt n GLY 31 Ca 0.00 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 2djt n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2djt s ARG 32 N 0.00 4.18 0.28 1.61 3.52 -1.26 -2.25 118.95 125.03 2djt s ARG 32 Ca 0.00 1.30 0.10 0.00 -0.13 0.00 0.00 55.73 57.00 2djt s ARG 32 Cb 0.00 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 2djt s ARG 32 CO 0.00 -0.74 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.20 2djt s ASP 33 N 1.49 4.34 0.25 -2.12 1.01 0.16 -4.57 116.67 117.23 2djt s ASP 33 Ca 0.46 -0.75 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 2djt s ASP 33 Cb -0.15 -0.71 0.47 0.00 1.01 0.00 0.00 42.92 43.54 2djt s ASP 33 CO 0.11 -0.02 1.75 1.62 0.21 0.00 0.00 175.17 178.84 2djt h VAL 34 N 1.94 0.71 0.00 -1.27 3.04 -2.03 -2.95 116.25 115.69 2djt h VAL 34 Ca -0.43 -0.18 -0.08 0.00 -1.01 0.00 0.00 66.70 65.00 2djt h VAL 34 Cb 1.25 0.13 -0.17 0.00 -2.01 0.00 0.00 31.29 30.49 2djt h VAL 34 CO 0.61 0.10 -0.70 0.00 -1.01 0.00 0.00 177.57 176.56 2djt n ALA 35 N -2.46 2.89 -3.25 3.17 0.00 -1.26 -5.06 120.51 114.54 2djt n ALA 35 Ca 0.15 -2.69 -0.13 0.00 0.00 0.00 0.00 53.44 50.77 2djt n ALA 35 Cb 0.40 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 2djt n ALA 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2djt s GLY 36 N -2.52 -0.21 -0.20 0.00 0.00 -1.12 -5.14 107.32 98.12 2djt s GLY 36 Ca 0.33 0.66 -0.02 0.00 0.00 0.00 0.00 44.72 45.69 2djt s GLY 36 CO -0.10 0.48 0.00 0.99 0.00 0.00 0.00 173.10 174.47 2djt s ASP 37 N -0.63 3.17 -0.03 1.64 1.11 -1.26 0.37 116.67 121.04 2djt s ASP 37 Ca -0.07 -0.91 -0.10 0.00 0.18 0.00 0.00 52.55 51.64 2djt s ASP 37 Cb -0.04 -0.78 0.02 0.00 1.07 0.00 0.00 42.92 43.18 2djt s ASP 37 CO 0.03 -0.28 0.23 0.42 1.18 0.00 0.00 175.17 176.75 2djt s THR 38 N 1.71 0.05 0.05 -1.27 -4.23 -0.96 -5.00 115.64 106.00 2djt s THR 38 Ca -0.02 -0.41 -0.31 0.00 -1.18 0.00 0.00 61.69 59.78 2djt s THR 38 Cb -0.17 -0.47 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 2djt s THR 38 CO -0.07 -0.22 1.41 -2.16 -0.54 0.00 0.00 174.62 173.03 2djt s PRO 39 N -0.90 4.30 0.09 3.99 0.04 -1.26 0.71 135.00 141.96 2djt s PRO 39 Ca -0.10 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.65 2djt s PRO 39 Cb -0.05 -3.44 -0.11 0.00 0.04 0.00 0.00 34.50 30.94 2djt s PRO 39 CO 0.02 -0.52 1.83 1.28 0.04 0.00 0.00 177.00 179.65 2djt n LEU 40 N 4.77 3.85 -3.79 -3.56 4.77 -1.26 -4.27 117.00 117.51 2djt n LEU 40 Ca 0.13 0.99 -0.13 0.00 -0.03 0.00 0.00 56.01 56.97 2djt n LEU 40 Cb 0.43 -1.50 -0.11 0.00 -2.33 0.00 0.00 43.42 39.90 2djt n LEU 40 CO 0.59 0.09 -0.09 0.00 -1.33 0.00 0.00 177.39 176.64 2djt s ALA 41 N 2.86 -0.60 0.03 -1.18 0.00 -1.25 -3.00 121.76 118.61 2djt s ALA 41 Ca 0.84 0.60 -0.39 0.00 0.00 0.00 0.00 51.96 53.01 2djt s ALA 41 Cb -0.53 -0.33 -0.19 0.00 0.00 0.00 0.00 23.12 22.07 2djt s ALA 41 CO 0.40 -0.13 1.07 0.28 0.00 0.00 0.00 175.76 177.38 2djt n VAL 42 N 2.71 0.15 -0.01 0.00 0.31 -1.15 -1.29 118.33 119.05 2djt n VAL 42 Ca -0.14 -0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 2djt n VAL 42 Cb 0.58 -0.13 -0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 1.61 0.08 -4.36 5.55 0.00 -0.06 -1.84 116.66 117.65 2djt n ARG 43 Ca 0.20 0.03 -0.27 0.00 -0.00 0.00 0.00 57.85 57.80 2djt n ARG 43 Cb 0.11 -0.55 -0.11 0.00 0.00 0.00 0.00 32.46 31.91 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 -3.35 1.70 -0.28 5.14 0.00 -1.22 -4.80 107.32 104.51 2djt s GLY 44 Ca -0.05 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.17 2djt s GLY 44 CO 0.07 -1.54 -0.01 1.08 0.00 0.00 0.00 173.10 172.70 2djt s LEU 45 N -2.59 3.32 -0.48 0.66 1.43 -1.26 -3.07 118.68 116.69 2djt s LEU 45 Ca 0.21 -1.57 -0.39 0.00 -1.03 0.00 0.00 54.13 51.34 2djt s LEU 45 Cb -0.09 -1.33 -0.16 0.00 0.03 0.00 0.00 46.19 44.65 2djt s LEU 45 CO 0.11 -0.30 2.21 -0.11 0.23 0.00 0.00 176.35 178.49 2djt n LEU 46 N 4.53 1.29 -4.34 1.79 7.94 -0.41 -4.80 117.00 123.00 2djt n LEU 46 Ca -0.06 0.51 -0.41 0.00 -1.11 0.00 0.00 56.01 54.94 2djt n LEU 46 Cb 0.43 -1.06 0.01 0.00 0.53 0.00 0.00 43.42 43.33 2djt n LEU 46 CO 0.19 -0.77 -0.32 1.17 -1.11 0.00 0.00 177.39 176.55 2djt n LYS 47 N 7.88 0.17 -3.90 1.96 0.00 -1.26 -0.37 118.16 122.65 2djt n LYS 47 Ca 0.50 0.06 -0.29 0.00 0.00 0.00 0.00 58.31 58.58 2djt n LYS 47 Cb 0.08 -1.18 -0.05 0.00 0.00 0.00 0.00 35.03 33.88 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 1.96 -1.60 -5.02 3.14 5.75 -1.26 -4.89 116.55 114.62 2djt n ASP 48 Ca 0.11 -0.69 -0.21 0.00 -0.01 0.00 0.00 54.79 53.98 2djt n ASP 48 Cb 0.42 -1.44 0.06 0.00 -1.03 0.00 0.00 41.12 39.13 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 -2.85 1.79 0.12 6.12 0.00 0.51 -4.90 107.32 108.11 2djt s GLY 49 Ca 0.57 -2.07 -0.13 0.00 0.00 0.00 0.00 44.72 43.10 2djt s GLY 49 CO 0.70 -1.75 1.45 -0.56 0.00 0.00 0.00 173.10 172.94 2djt h PRO 50 N 0.19 0.84 -0.06 2.90 0.13 -1.83 0.22 132.00 134.39 2djt h PRO 50 Ca -0.29 -0.44 -0.15 0.00 -0.87 0.00 0.00 66.00 64.24 2djt h PRO 50 Cb 1.29 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2djt h PRO 50 CO 0.42 1.08 -0.65 0.00 -0.23 0.00 0.00 178.00 178.63 2djt h ALA 51 N 0.74 0.80 0.13 -0.56 0.00 -1.89 -2.48 119.26 116.00 2djt h ALA 51 Ca 0.05 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 2djt h ALA 51 Cb 0.92 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2djt h ALA 51 CO 0.08 0.76 -0.77 0.37 0.00 0.00 0.00 179.25 179.69 2djt h GLN 52 N 0.16 0.28 0.07 0.00 5.75 -1.78 -3.16 115.11 116.43 2djt h GLN 52 Ca -0.01 -0.47 0.01 0.00 -0.15 0.00 0.00 58.65 58.03 2djt h GLN 52 Cb 1.17 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.88 2djt h GLN 52 CO 0.10 1.23 -0.11 0.00 -2.65 0.00 0.00 178.83 177.39 2djt h ARG 53 N -0.42 -0.22 -0.84 1.69 3.08 -0.62 -2.22 114.38 114.83 2djt h ARG 53 Ca -0.14 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.05 2djt h ARG 53 Cb 1.60 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.64 2djt h ARG 53 CO 0.14 -0.15 0.55 0.00 -1.07 0.00 0.00 179.97 179.43 2djt n GLY 55 N -1.44 1.29 0.47 0.00 0.00 -0.84 -4.77 105.19 99.90 2djt n GLY 55 Ca 0.15 -0.12 0.38 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.02 -3.85 1.61 1.74 -1.26 -3.79 116.66 111.10 2djt n ARG 56 Ca 0.00 0.98 -0.36 0.00 -0.77 0.00 0.00 57.85 57.70 2djt n ARG 56 Cb 0.00 -2.05 -0.12 0.00 -1.02 0.00 0.00 32.46 29.27 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 -8.08 3.58 0.06 0.55 1.43 -1.26 -5.09 118.68 109.88 2djt s LEU 57 Ca -0.05 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2djt s LEU 57 Cb 0.24 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2djt s LEU 57 CO 0.70 0.03 -0.08 -1.61 0.23 0.00 0.00 176.35 175.62 2djt s GLU 58 N 1.23 0.65 0.13 1.70 2.02 -1.25 -4.67 118.70 118.52 2djt s GLU 58 Ca 0.05 -0.94 -0.34 0.00 0.02 0.00 0.00 54.97 53.76 2djt s GLU 58 Cb -0.14 -0.35 -0.14 0.00 0.10 0.00 0.00 34.13 33.60 2djt s GLU 58 CO 0.04 0.05 1.60 0.28 0.02 0.00 0.00 175.26 177.25 2djt n VAL 59 N 1.04 0.06 0.00 2.63 0.31 -1.26 -1.80 118.33 119.31 2djt n VAL 59 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2djt n VAL 59 Cb 0.56 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 3.49 2.08 3.43 2.92 0.00 -0.76 -4.94 105.19 111.41 2djt n GLY 60 Ca 0.18 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 0.04 -1.08 -4.75 1.61 9.92 -0.74 -4.62 116.55 116.93 2djt n ASP 61 Ca 0.00 0.99 -0.37 0.00 -0.53 0.00 0.00 54.79 54.88 2djt n ASP 61 Cb 0.00 -1.05 -0.07 0.00 -0.64 0.00 0.00 41.12 39.36 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 2.43 4.28 -0.28 0.64 1.43 -1.26 -2.94 118.68 122.98 2djt s LEU 62 Ca 0.62 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 2djt s LEU 62 Cb -0.71 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 2djt s LEU 62 CO 0.59 0.13 0.23 -0.69 0.23 0.00 0.00 176.35 176.84 2djt s VAL 63 N 0.22 5.28 -0.20 -1.59 1.01 -1.16 -3.19 120.40 120.77 2djt s VAL 63 Ca 0.18 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 2djt s VAL 63 Cb -0.13 -3.57 -0.20 0.00 0.00 0.00 0.00 36.38 32.47 2djt s VAL 63 CO 0.05 0.23 0.04 0.18 0.00 0.00 0.00 175.10 175.60 2djt n LEU 64 N 5.12 2.61 -4.08 3.92 7.99 -0.76 -4.85 117.00 126.96 2djt n LEU 64 Ca -0.13 0.11 -0.15 0.00 -0.01 0.00 0.00 56.01 55.83 2djt n LEU 64 Cb 0.52 -0.99 -0.03 0.00 -0.11 0.00 0.00 43.42 42.80 2djt n LEU 64 CO 0.34 0.80 0.17 -1.00 -1.51 0.00 0.00 177.39 176.19 2djt s HIS 65 N -2.52 1.09 -0.21 -1.77 3.76 -1.22 -3.71 115.29 110.72 2djt s HIS 65 Ca -0.30 -1.33 -0.09 0.00 -0.15 0.00 0.00 55.06 53.20 2djt s HIS 65 Cb 0.08 -0.05 0.08 0.00 1.11 0.00 0.00 32.58 33.81 2djt s HIS 65 CO 0.65 -1.19 0.46 0.42 -0.85 0.00 0.00 174.74 174.23 2djt s ILE 66 N -2.87 -0.43 -1.40 0.60 1.01 -0.60 -1.66 121.20 115.85 2djt s ILE 66 Ca 0.30 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 2djt s ILE 66 Cb -0.01 -0.71 0.15 0.00 0.01 0.00 0.00 42.46 41.90 2djt s ILE 66 CO 0.21 0.05 0.51 0.59 0.00 0.00 0.00 174.94 176.30 2djt n ASN 67 N 4.94 -2.32 -0.30 3.58 3.02 0.12 0.15 115.26 124.45 2djt n ASN 67 Ca -0.15 -0.73 -0.02 0.00 -0.03 0.00 0.00 54.58 53.65 2djt n ASN 67 Cb 0.52 -1.99 -0.00 0.00 -0.61 0.00 0.00 39.78 37.70 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 -1.04 0.29 3.23 7.41 0.00 -1.26 -5.05 105.19 108.77 2djt n GLY 68 Ca 0.07 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.16 3.11 -0.51 1.61 0.41 0.39 -5.08 118.70 114.46 2djt s GLU 69 Ca 0.00 -0.83 -0.28 0.00 -0.41 0.00 0.00 54.97 53.45 2djt s GLU 69 Cb -0.00 -2.43 0.02 0.00 -1.78 0.00 0.00 34.13 29.93 2djt s GLU 69 CO 0.00 0.09 1.35 -1.12 -0.49 0.00 0.00 175.26 175.10 2djt s SER 70 N 0.57 6.30 -0.00 -0.19 0.01 -1.26 -1.56 113.70 117.57 2djt s SER 70 Ca -0.12 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.61 2djt s SER 70 Cb -0.17 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.55 2djt s SER 70 CO 0.04 -1.53 0.87 1.07 0.41 0.00 0.00 173.24 174.09 2djt n THR 71 N 6.91 0.07 -0.35 1.44 5.66 -1.24 -4.08 114.28 122.69 2djt n THR 71 Ca 0.13 -0.05 0.11 0.00 -3.05 0.00 0.00 64.05 61.19 2djt n THR 71 Cb 0.49 -0.15 0.30 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.19 0.83 -0.43 1.09 4.15 -1.89 -2.86 115.11 116.18 2djt h GLN 72 Ca 0.00 -0.05 -0.31 0.00 0.77 0.00 0.00 58.65 59.06 2djt h GLN 72 Cb 0.22 -0.19 -0.36 0.00 0.21 0.00 0.00 27.48 27.36 2djt h GLN 72 CO 0.01 0.55 -0.92 0.41 -1.93 0.00 0.00 178.83 176.94 2djt n GLY 73 N -1.35 3.79 3.63 2.39 0.00 -1.26 -5.06 105.19 107.32 2djt n GLY 73 Ca 0.21 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.15 3.31 0.57 0.99 1.43 -1.08 -5.11 118.68 115.64 2djt s LEU 74 Ca 0.38 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2djt s LEU 74 Cb 0.37 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.81 2djt s LEU 74 CO -0.03 0.32 0.80 0.42 0.23 0.00 0.00 176.35 178.09 2djt s THR 75 N -0.95 2.56 0.22 5.49 -4.23 -1.26 -4.56 115.64 112.91 2djt s THR 75 Ca 0.16 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 2djt s THR 75 Cb -0.11 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.09 2djt s THR 75 CO 0.06 0.00 1.65 -0.74 -0.54 0.00 0.00 174.62 175.04 2djt h HIS 76 N 0.01 -0.10 -0.31 3.99 2.76 -1.83 0.14 115.15 119.81 2djt h HIS 76 Ca -0.40 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 57.81 2djt h HIS 76 Cb 1.29 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.38 2djt h HIS 76 CO 0.27 -0.21 0.16 0.00 -1.30 0.00 0.00 177.93 176.85 2djt h ALA 77 N 1.61 0.40 0.76 5.26 0.00 -1.95 -2.38 119.26 122.95 2djt h ALA 77 Ca 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2djt h ALA 77 Cb 0.56 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2djt h ALA 77 CO -0.59 -0.05 -0.47 1.96 0.00 0.00 0.00 179.25 180.11 2djt h GLN 78 N 0.37 -1.11 -0.65 0.00 1.08 -1.49 -0.53 115.11 112.79 2djt h GLN 78 Ca 0.11 0.08 0.12 0.00 -1.45 0.00 0.00 58.65 57.51 2djt h GLN 78 Cb 0.10 0.25 -0.12 0.00 -0.05 0.00 0.00 27.48 27.66 2djt h GLN 78 CO -0.01 -0.74 -0.26 0.00 -0.95 0.00 0.00 178.83 176.87 2djt h ALA 79 N -1.02 0.21 0.67 3.87 0.00 -0.78 -1.91 119.26 120.30 2djt h ALA 79 Ca -0.10 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2djt h ALA 79 Cb 0.92 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2djt h ALA 79 CO 0.10 -0.55 -0.45 0.28 0.00 0.00 0.00 179.25 178.63 2djt h VAL 80 N -0.08 0.00 -0.91 0.00 2.07 -1.27 -2.67 116.25 113.38 2djt h VAL 80 Ca 0.29 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.07 2djt h VAL 80 Cb 0.53 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.14 2djt h VAL 80 CO -0.71 0.00 0.08 1.21 0.02 0.00 0.00 177.57 178.17 2djt n GLU 81 N -5.28 -0.07 -0.15 1.57 2.13 -0.22 0.14 120.64 118.75 2djt n GLU 81 Ca -0.13 1.35 -0.05 0.00 0.66 0.00 0.00 57.16 58.99 2djt n GLU 81 Cb 0.45 -2.18 0.04 0.00 0.27 0.00 0.00 31.44 30.02 2djt n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djt h ARG 82 N 0.00 0.42 0.66 5.31 2.47 -1.03 0.76 114.38 122.97 2djt h ARG 82 Ca 0.58 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.25 2djt h ARG 82 Cb 1.25 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.48 2djt h ARG 82 CO -0.84 0.28 -0.40 0.82 0.56 0.00 0.00 179.97 180.39 2djt h ILE 83 N 0.44 0.00 -0.28 2.04 2.04 0.14 0.41 117.51 122.30 2djt h ILE 83 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 2djt h ILE 83 Cb 0.14 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.15 2djt h ILE 83 CO -0.16 0.00 -0.18 0.03 0.00 0.00 0.00 178.15 177.84 2djt h ARG 84 N -0.99 -0.15 -0.05 2.37 2.47 -1.31 0.10 114.38 116.82 2djt h ARG 84 Ca -0.09 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2djt h ARG 84 Cb 0.79 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2djt h ARG 84 CO 0.09 -0.10 -0.01 0.00 0.56 0.00 0.00 179.97 180.51 2djt h ALA 85 N 1.01 1.90 -0.97 0.04 0.00 -0.78 -2.82 119.26 117.64 2djt h ALA 85 Ca 0.15 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.34 2djt h ALA 85 Cb 0.38 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.98 2djt h ALA 85 CO -0.37 0.08 0.29 0.78 0.00 0.00 0.00 179.25 180.03 2djt h GLY 86 N 0.17 1.68 0.00 0.00 0.00 0.19 -3.47 103.07 101.65 2djt h GLY 86 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2djt h GLY 86 CO 0.00 -0.57 0.00 0.61 0.00 0.00 0.00 176.54 176.58 2djt n GLY 87 N -1.37 0.47 0.25 4.60 0.00 -1.07 -4.72 105.19 103.35 2djt n GLY 87 Ca 0.28 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -5.52 1.61 0.13 -1.91 -3.43 132.00 122.88 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 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 2djt h PRO 88 CO 0.00 0.12 -0.58 -0.65 -0.23 0.00 0.00 178.00 176.66 2djt s GLN 89 N -3.75 3.60 -0.18 0.86 -0.21 -1.26 -2.84 119.66 115.88 2djt s GLN 89 Ca 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 55.36 54.97 2djt s GLN 89 Cb 0.10 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 2djt s GLN 89 CO 0.59 0.46 0.03 -1.17 -2.12 0.00 0.00 175.29 173.08 2djt s LEU 90 N -0.17 3.62 -0.16 2.90 0.20 -0.43 -4.85 118.68 119.80 2djt s LEU 90 Ca 0.07 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.87 2djt s LEU 90 Cb -0.12 -1.91 0.04 0.00 -0.43 0.00 0.00 46.19 43.77 2djt s LEU 90 CO 0.01 0.15 -0.04 -2.28 -0.29 0.00 0.00 176.35 173.91 2djt s HIS 91 N 0.49 1.51 -0.07 5.38 2.46 -1.23 -2.59 115.29 121.23 2djt s HIS 91 Ca 0.01 -0.96 0.02 0.00 0.47 0.00 0.00 55.06 54.61 2djt s HIS 91 Cb -0.13 -1.23 0.01 0.00 -0.13 0.00 0.00 32.58 31.10 2djt s HIS 91 CO 0.01 -0.58 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.06 2djt s LEU 92 N 1.70 1.66 -0.45 8.88 1.43 -1.14 0.16 118.68 130.91 2djt s LEU 92 Ca 0.01 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2djt s LEU 92 Cb -0.15 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.22 2djt s LEU 92 CO -0.07 0.04 0.81 -0.69 0.23 0.00 0.00 176.35 176.66 2djt s VAL 93 N 0.69 4.62 0.04 -1.59 1.01 -0.66 -0.29 120.40 124.22 2djt s VAL 93 Ca -0.14 0.47 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2djt s VAL 93 Cb -0.16 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2djt s VAL 93 CO 0.03 -0.74 -0.24 -0.63 0.00 0.00 0.00 175.10 173.52 2djt s ILE 94 N 3.37 1.96 -0.24 2.22 -1.09 0.19 -1.82 121.20 125.78 2djt s ILE 94 Ca 0.31 -1.32 -0.03 0.00 -2.23 0.00 0.00 60.65 57.38 2djt s ILE 94 Cb -0.12 -1.69 0.08 0.00 -1.58 0.00 0.00 42.46 39.15 2djt s ILE 94 CO 0.23 0.31 0.08 -0.60 -1.23 0.00 0.00 174.94 173.72 2djt s ARG 95 N -1.22 0.54 -0.03 2.79 3.52 -1.19 -1.01 118.95 122.34 2djt s ARG 95 Ca 0.10 -0.60 -0.32 0.00 -0.13 0.00 0.00 55.73 54.78 2djt s ARG 95 Cb -0.10 -1.87 -0.10 0.00 -1.56 0.00 0.00 34.95 31.32 2djt s ARG 95 CO 0.02 -0.82 1.93 -2.13 -0.81 0.00 0.00 175.30 173.49 2djt n ARG 96 N 5.05 2.51 -2.11 5.12 3.00 -1.26 -4.52 116.66 124.45 2djt n ARG 96 Ca -0.06 0.92 -0.34 0.00 -0.00 0.00 0.00 57.85 58.36 2djt n ARG 96 Cb 0.45 -2.82 0.02 0.00 0.00 0.00 0.00 32.46 30.10 2djt n ARG 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2djt s PRO 97 N 4.28 3.19 -0.19 -0.14 0.04 -1.26 -4.92 135.00 136.00 2djt s PRO 97 Ca 0.91 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 63.50 2djt s PRO 97 Cb -0.57 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.11 2djt s PRO 97 CO 0.47 -0.97 1.96 1.28 0.04 0.00 0.00 177.00 179.78 2djt n LEU 98 N -1.62 5.88 -4.37 -3.56 4.77 -1.26 -4.86 117.00 111.97 2djt n LEU 98 Ca 0.11 -2.88 -0.30 0.00 -0.03 0.00 0.00 56.01 52.92 2djt n LEU 98 Cb 0.51 -1.05 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 2djt n LEU 98 CO 0.44 1.11 -0.56 -0.55 -1.33 0.00 0.00 177.39 176.49 2djt s SER 99 N 0.87 3.28 -0.65 -1.43 0.15 -1.26 -5.07 113.70 109.59 2djt s SER 99 Ca 0.18 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.22 2djt s SER 99 Cb 0.14 -0.28 0.31 0.00 -1.71 0.00 0.00 66.02 64.48 2djt s SER 99 CO -0.00 0.22 0.96 0.61 1.20 0.00 0.00 173.24 176.23 2djt n GLY 100 N 1.34 5.37 3.71 9.45 0.00 -1.26 -5.07 105.19 118.73 2djt n GLY 100 Ca -0.17 -2.77 -0.42 0.00 0.00 0.00 0.00 46.02 42.66 2djt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djt s PRO 101 N -3.17 4.32 -0.25 1.61 0.04 -1.26 -5.01 135.00 131.28 2djt s PRO 101 Ca 0.45 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.50 2djt s PRO 101 Cb 0.22 -3.32 0.13 0.00 0.04 0.00 0.00 34.50 31.57 2djt s PRO 101 CO -0.08 -0.45 0.32 -1.12 0.04 0.00 0.00 177.00 175.70 2djt s SER 102 N 1.25 0.94 -0.27 6.66 0.01 -1.26 -5.13 113.70 115.90 2djt s SER 102 Ca 0.64 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.64 2djt s SER 102 Cb -0.35 0.75 0.01 0.00 0.21 0.00 0.00 66.02 66.64 2djt s SER 102 CO 0.30 -0.34 0.02 -0.94 0.41 0.00 0.00 173.24 172.69 2djt s SER 103 N 2.44 4.79 0.00 2.44 1.04 -1.26 -5.36 113.70 117.78 2djt s SER 103 Ca 0.10 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2djt s SER 103 Cb -0.15 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2djt s SER 103 CO -0.21 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.48