#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 6.58 0.60 1.61 0.01 -1.26 -4.97 113.70 116.27 2djt s SER 2 Ca 0.00 -1.85 0.04 0.00 1.31 0.00 0.00 55.95 55.45 2djt s SER 2 Cb 0.00 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.73 2djt s SER 2 CO 0.00 -1.43 0.82 -0.94 0.41 0.00 0.00 173.24 172.10 2djt s SER 3 N 4.77 4.97 0.00 2.44 1.04 -1.26 -5.03 113.70 120.63 2djt s SER 3 Ca 0.50 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2djt s SER 3 Cb 0.01 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2djt s SER 3 CO -0.02 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2djt n GLY 4 N -2.41 0.43 3.87 7.32 0.00 -1.26 -4.99 105.19 108.15 2djt n GLY 4 Ca 0.12 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.11 6.52 0.49 1.61 1.04 -1.26 -5.10 113.70 115.88 2djt s SER 5 Ca 0.00 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.08 2djt s SER 5 Cb 0.00 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 2djt s SER 5 CO 0.00 0.36 0.04 -0.44 0.98 0.00 0.00 173.24 174.19 2djt s SER 6 N -1.15 4.13 0.00 7.02 0.01 -1.26 -4.98 113.70 117.47 2djt s SER 6 Ca 0.19 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2djt s SER 6 Cb -0.13 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2djt s SER 6 CO 0.08 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2djt n GLY 7 N -1.24 1.84 0.12 3.44 0.00 -1.26 -5.00 105.19 103.09 2djt n GLY 7 Ca -0.14 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2djt n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2djt n GLN 8 N 0.00 0.56 -3.09 1.61 1.13 -1.26 -5.02 117.38 111.31 2djt n GLN 8 Ca 0.00 0.42 -0.14 0.00 -1.94 0.00 0.00 57.00 55.35 2djt n GLN 8 Cb 0.00 -1.62 0.05 0.00 0.11 0.00 0.00 30.24 28.78 2djt n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2djt n ALA 9 N -3.83 -1.04 -0.05 -1.58 0.00 -1.26 -4.95 120.51 107.79 2djt n ALA 9 Ca -0.38 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 2djt n ALA 9 Cb 0.72 -2.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.20 2djt n ALA 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2djt n SER 10 N -1.82 0.82 0.00 0.00 7.64 -1.26 -4.91 113.62 114.09 2djt n SER 10 Ca -0.07 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2djt n SER 10 Cb 0.57 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 2.33 -0.92 3.70 0.23 0.00 -1.26 -4.72 105.19 104.55 2djt n GLY 11 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2djt n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djt s HIS 12 N 0.00 2.93 0.20 1.61 3.76 -1.26 -4.42 115.29 118.10 2djt s HIS 12 Ca 0.00 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.70 2djt s HIS 12 Cb 0.00 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 32.26 2djt s HIS 12 CO 0.00 0.51 0.37 -0.59 -0.85 0.00 0.00 174.74 174.19 2djt s PHE 13 N -1.69 0.36 0.33 1.40 -0.12 -0.71 -4.91 117.98 112.64 2djt s PHE 13 Ca 0.28 -0.71 0.10 0.00 -0.05 0.00 0.00 56.93 56.54 2djt s PHE 13 Cb -0.10 0.06 -0.06 0.00 -0.63 0.00 0.00 43.02 42.30 2djt s PHE 13 CO 0.20 -0.84 -0.05 -1.12 -0.05 0.00 0.00 175.22 173.36 2djt s SER 14 N -2.98 3.99 -0.10 1.98 0.01 -1.26 -0.64 113.70 114.70 2djt s SER 14 Ca 0.19 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.46 2djt s SER 14 Cb 0.02 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 2djt s SER 14 CO 0.04 -0.17 -0.21 -0.69 0.41 0.00 0.00 173.24 172.61 2djt s VAL 15 N -2.53 2.32 -0.24 3.43 1.01 -0.20 -4.91 120.40 119.29 2djt s VAL 15 Ca 0.33 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2djt s VAL 15 Cb -0.01 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.51 2djt s VAL 15 CO 0.18 0.56 -0.10 -0.70 0.00 0.00 0.00 175.10 175.04 2djt s GLU 16 N 0.19 2.75 0.13 2.72 2.12 -1.25 -3.32 118.70 122.03 2djt s GLU 16 Ca -0.13 -1.02 0.04 0.00 0.36 0.00 0.00 54.97 54.22 2djt s GLU 16 Cb -0.16 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2djt s GLU 16 CO 0.07 -0.40 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.79 2djt s LEU 17 N 1.27 2.51 -0.21 2.70 1.43 -1.20 -4.99 118.68 120.19 2djt s LEU 17 Ca -0.01 -0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 2djt s LEU 17 Cb -0.17 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 2djt s LEU 17 CO -0.06 -0.34 -0.05 -0.69 0.23 0.00 0.00 176.35 175.44 2djt s VAL 18 N -3.22 3.32 -0.23 -1.59 1.01 -1.26 -2.78 120.40 115.65 2djt s VAL 18 Ca 0.14 -0.51 -0.43 0.00 0.00 0.00 0.00 61.98 61.18 2djt s VAL 18 Cb 0.02 -2.50 -0.20 0.00 0.00 0.00 0.00 36.38 33.70 2djt s VAL 18 CO -0.00 0.44 1.33 -1.14 0.00 0.00 0.00 175.10 175.72 2djt n ARG 19 N 4.67 0.06 0.00 2.72 0.63 -1.12 -4.86 116.66 118.76 2djt n ARG 19 Ca -0.18 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2djt n ARG 19 Cb 0.51 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.89 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 2.71 0.42 3.46 5.14 0.00 -0.86 -4.88 105.19 111.18 2djt n GLY 20 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 2djt n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2djt n TYR 21 N 0.00 3.43 -4.03 1.61 9.36 -1.26 -4.23 117.16 122.04 2djt n TYR 21 Ca 0.00 -2.15 -0.29 0.00 3.32 0.00 0.00 57.90 58.79 2djt n TYR 21 Cb 0.00 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 36.16 2djt n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2djt n ALA 22 N 10.70 -1.74 0.00 2.98 0.00 -1.26 -4.84 120.51 126.35 2djt n ALA 22 Ca 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2djt n ALA 22 Cb 0.45 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.81 1.83 0.10 0.00 0.00 -1.26 -5.00 105.19 99.05 2djt n GLY 23 Ca -0.18 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.10 0.11 -1.33 1.61 3.72 -1.26 -2.02 117.46 117.19 2djt n PHE 24 Ca 0.00 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2djt n PHE 24 Cb 0.00 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.53 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 1.72 0.78 3.43 1.37 0.00 -1.26 -3.56 105.19 107.67 2djt n GLY 25 Ca -0.31 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 2djt n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2djt s LEU 26 N 0.00 2.90 -0.13 0.99 2.96 -1.26 -0.86 118.68 123.28 2djt s LEU 26 Ca 0.00 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2djt s LEU 26 Cb 0.00 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.05 2djt s LEU 26 CO 0.00 0.19 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.17 2djt s THR 27 N 0.19 1.68 -0.04 3.68 2.01 -1.13 -5.03 115.64 117.00 2djt s THR 27 Ca -0.06 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 2djt s THR 27 Cb -0.15 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 2djt s THR 27 CO 0.04 0.48 0.54 -0.76 -0.69 0.00 0.00 174.62 174.23 2djt s LEU 28 N 1.14 4.38 -0.07 4.42 1.43 -1.26 -0.01 118.68 128.70 2djt s LEU 28 Ca -0.02 1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2djt s LEU 28 Cb -0.14 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2djt s LEU 28 CO -0.06 0.10 -0.04 -0.83 0.23 0.00 0.00 176.35 175.76 2djt s GLY 29 N -0.06 1.76 0.00 -3.19 0.00 -0.71 -4.76 107.32 100.37 2djt s GLY 29 Ca 0.29 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2djt s GLY 29 CO 0.15 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.23 2djt n GLY 30 N 2.17 0.95 3.41 0.20 0.00 -1.26 -3.10 105.19 107.56 2djt n GLY 30 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.15 3.53 -0.02 0.00 -0.71 -4.80 105.19 101.04 2djt n GLY 31 Ca 0.00 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.18 3.36 0.26 1.61 3.52 -1.12 -0.01 118.95 126.39 2djt s ARG 32 Ca 0.00 -0.21 0.11 0.00 -0.13 0.00 0.00 55.73 55.50 2djt s ARG 32 Cb 0.00 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 2djt s ARG 32 CO 0.00 -1.20 -0.19 -0.51 -0.81 0.00 0.00 175.30 172.58 2djt s ASP 33 N 2.33 3.40 0.28 -2.12 1.11 0.21 -3.44 116.67 118.44 2djt s ASP 33 Ca 0.29 -1.01 0.01 0.00 0.18 0.00 0.00 52.55 52.02 2djt s ASP 33 Cb -0.13 -0.27 0.61 0.00 1.07 0.00 0.00 42.92 44.21 2djt s ASP 33 CO 0.21 0.01 1.75 1.62 1.18 0.00 0.00 175.17 179.94 2djt h VAL 34 N 2.42 0.66 0.00 -1.27 3.04 -2.02 -2.43 116.25 116.65 2djt h VAL 34 Ca -0.40 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2djt h VAL 34 Cb 1.25 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2djt h VAL 34 CO 0.59 0.11 -0.09 0.00 -1.01 0.00 0.00 177.57 177.17 2djt n ALA 35 N -2.43 2.20 -3.10 3.17 0.00 -1.26 -4.88 120.51 114.21 2djt n ALA 35 Ca 0.19 -2.27 -0.17 0.00 0.00 0.00 0.00 53.44 51.19 2djt n ALA 35 Cb 0.51 -0.39 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.14 1.10 3.63 0.00 0.00 -0.91 -5.11 105.19 102.76 2djt n GLY 36 Ca 0.13 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 0.09 6.82 -0.03 1.61 -4.77 -1.25 -0.62 116.67 118.52 2djt s ASP 37 Ca 0.32 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 50.16 2djt s ASP 37 Cb 0.05 -2.48 0.08 0.00 -1.09 0.00 0.00 42.92 39.48 2djt s ASP 37 CO -0.14 -0.75 0.72 0.42 0.70 0.00 0.00 175.17 176.12 2djt s THR 38 N 3.31 0.00 -0.07 2.11 -4.23 0.99 -4.95 115.64 112.79 2djt s THR 38 Ca 0.39 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.61 2djt s THR 38 Cb -0.13 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 2djt s THR 38 CO 0.13 0.00 1.50 -2.16 -0.54 0.00 0.00 174.62 173.56 2djt s PRO 39 N -1.70 4.21 0.21 3.99 0.04 -1.26 -1.74 135.00 138.75 2djt s PRO 39 Ca -0.07 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 2djt s PRO 39 Cb -0.00 -3.84 -0.14 0.00 0.04 0.00 0.00 34.50 30.55 2djt s PRO 39 CO 0.04 -0.76 1.30 1.28 0.04 0.00 0.00 177.00 178.90 2djt n LEU 40 N 6.64 2.43 -3.65 -3.56 4.77 -1.26 -4.21 117.00 118.15 2djt n LEU 40 Ca 0.16 1.14 -0.09 0.00 -0.03 0.00 0.00 56.01 57.19 2djt n LEU 40 Cb 0.43 -1.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 2djt n LEU 40 CO 0.60 -0.84 0.32 0.00 -1.33 0.00 0.00 177.39 176.14 2djt s ALA 41 N -0.14 -1.74 0.01 -1.18 0.00 -1.18 -1.89 121.76 115.65 2djt s ALA 41 Ca 0.70 2.22 -0.35 0.00 0.00 0.00 0.00 51.96 54.53 2djt s ALA 41 Cb -0.73 -1.31 -0.18 0.00 0.00 0.00 0.00 23.12 20.90 2djt s ALA 41 CO 0.51 -0.35 0.92 0.28 0.00 0.00 0.00 175.76 177.12 2djt n VAL 42 N 3.98 0.14 0.00 0.00 0.31 -1.10 -1.73 118.33 119.92 2djt n VAL 42 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2djt n VAL 42 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 1.31 0.00 -4.56 5.55 0.00 0.98 -2.20 116.66 117.75 2djt n ARG 43 Ca 0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.73 2djt n ARG 43 Cb 0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 32.46 31.99 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 -3.00 1.53 -0.40 5.14 0.00 -1.14 -4.73 107.32 104.73 2djt s GLY 44 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 2djt s GLY 44 CO 0.00 -1.35 0.19 1.08 0.00 0.00 0.00 173.10 173.03 2djt s LEU 45 N -1.79 5.00 -0.47 0.66 1.43 -1.26 -2.84 118.68 119.41 2djt s LEU 45 Ca 0.13 -1.72 -0.31 0.00 -1.03 0.00 0.00 54.13 51.20 2djt s LEU 45 Cb -0.10 -1.87 -0.11 0.00 0.03 0.00 0.00 46.19 44.14 2djt s LEU 45 CO 0.05 -0.50 2.33 -0.11 0.23 0.00 0.00 176.35 178.35 2djt n LEU 46 N 4.72 2.02 -4.74 1.79 -0.00 -0.04 -4.88 117.00 115.87 2djt n LEU 46 Ca -0.07 0.12 -0.38 0.00 -0.00 0.00 0.00 56.01 55.68 2djt n LEU 46 Cb 0.42 -1.33 0.06 0.00 -0.00 0.00 0.00 43.42 42.57 2djt n LEU 46 CO 0.34 -0.95 0.96 1.17 -0.00 0.00 0.00 177.39 178.91 2djt n LYS 47 N 8.51 1.43 -1.68 1.96 0.00 -1.26 -2.70 118.16 124.42 2djt n LYS 47 Ca 0.43 0.54 -0.08 0.00 0.00 0.00 0.00 58.31 59.20 2djt n LYS 47 Cb 0.30 -2.57 -0.02 0.00 0.00 0.00 0.00 35.03 32.75 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 -1.46 -3.34 -4.69 3.14 2.03 -1.26 -5.02 116.55 105.94 2djt n ASP 48 Ca 0.13 0.09 -0.30 0.00 0.52 0.00 0.00 54.79 55.23 2djt n ASP 48 Cb 0.46 -2.09 -0.09 0.00 -0.72 0.00 0.00 41.12 38.68 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 -2.79 2.73 0.31 0.27 0.00 -1.10 -5.01 107.32 101.73 2djt s GLY 49 Ca 0.00 -1.43 0.10 0.00 0.00 0.00 0.00 44.72 43.38 2djt s GLY 49 CO 0.00 -2.13 1.70 -0.56 0.00 0.00 0.00 173.10 172.11 2djt h PRO 50 N 1.55 0.08 0.42 2.90 0.13 -1.87 -2.03 132.00 133.18 2djt h PRO 50 Ca -0.44 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2djt h PRO 50 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2djt h PRO 50 CO 0.77 0.55 -0.20 0.00 -0.23 0.00 0.00 178.00 178.89 2djt h ALA 51 N 1.45 -0.64 -0.64 -0.56 0.00 -1.88 -2.30 119.26 114.68 2djt h ALA 51 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2djt h ALA 51 Cb 0.88 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2djt h ALA 51 CO 0.07 -0.60 0.33 0.37 0.00 0.00 0.00 179.25 179.42 2djt h GLN 52 N -0.99 0.59 -0.58 0.00 5.75 -1.77 -0.99 115.11 117.11 2djt h GLN 52 Ca -0.06 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2djt h GLN 52 Cb 0.43 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 2djt h GLN 52 CO 0.09 0.39 0.38 0.00 -2.65 0.00 0.00 178.83 177.05 2djt h ARG 53 N 0.60 0.63 -0.44 1.69 3.08 -1.46 -1.60 114.38 116.88 2djt h ARG 53 Ca 0.30 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.21 2djt h ARG 53 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2djt h ARG 53 CO -0.21 0.42 -0.13 0.00 -1.07 0.00 0.00 179.97 178.98 2djt n GLY 55 N -0.38 1.05 0.29 0.00 0.00 -0.61 -4.75 105.19 100.81 2djt n GLY 55 Ca 0.01 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.64 1.61 1.74 -1.26 -3.96 116.66 111.10 2djt n ARG 56 Ca 0.00 1.03 -0.36 0.00 -0.77 0.00 0.00 57.85 57.75 2djt n ARG 56 Cb 0.00 -1.92 -0.07 0.00 -1.02 0.00 0.00 32.46 29.45 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 -9.11 4.25 0.03 0.55 1.43 -1.26 -5.09 118.68 109.50 2djt s LEU 57 Ca -0.06 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2djt s LEU 57 Cb 0.25 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2djt s LEU 57 CO 0.62 0.17 -0.04 -1.61 0.23 0.00 0.00 176.35 175.72 2djt s GLU 58 N 0.21 0.44 0.04 1.70 2.02 -1.25 -4.84 118.70 117.01 2djt s GLU 58 Ca 0.13 -0.81 -0.33 0.00 0.02 0.00 0.00 54.97 53.98 2djt s GLU 58 Cb -0.12 0.06 -0.12 0.00 0.10 0.00 0.00 34.13 34.05 2djt s GLU 58 CO 0.02 -0.05 1.80 0.28 0.02 0.00 0.00 175.26 177.33 2djt n VAL 59 N 1.14 0.40 0.00 2.63 0.31 -1.26 -2.16 118.33 119.39 2djt n VAL 59 Ca -0.21 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2djt n VAL 59 Cb 0.57 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 4.12 0.81 3.51 2.92 0.00 -0.93 -4.99 105.19 110.62 2djt n GLY 60 Ca 0.20 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 0.06 -4.85 1.61 8.00 -0.92 -4.71 116.55 115.76 2djt n ASP 61 Ca 0.00 1.09 -0.37 0.00 0.71 0.00 0.00 54.79 56.22 2djt n ASP 61 Cb 0.00 -1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 39.88 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 1.42 4.40 -0.26 0.64 1.43 -1.26 -2.72 118.68 122.33 2djt s LEU 62 Ca 0.61 0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 54.26 2djt s LEU 62 Cb -0.73 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 2djt s LEU 62 CO 0.58 0.34 0.16 -0.69 0.23 0.00 0.00 176.35 176.98 2djt s VAL 63 N -0.88 5.19 -0.17 -1.59 1.01 -0.79 -3.19 120.40 119.98 2djt s VAL 63 Ca 0.18 0.12 0.13 0.00 0.00 0.00 0.00 61.98 62.42 2djt s VAL 63 Cb -0.14 -3.44 -0.20 0.00 0.00 0.00 0.00 36.38 32.60 2djt s VAL 63 CO 0.07 0.30 0.03 0.18 0.00 0.00 0.00 175.10 175.68 2djt n LEU 64 N 4.73 0.34 -3.86 3.92 4.32 -1.01 -4.70 117.00 120.74 2djt n LEU 64 Ca -0.15 -0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.75 2djt n LEU 64 Cb 0.52 0.28 -0.01 0.00 -1.62 0.00 0.00 43.42 42.59 2djt n LEU 64 CO 0.33 0.47 0.46 -1.00 -1.22 0.00 0.00 177.39 176.43 2djt s HIS 65 N -2.41 -0.01 -0.13 -1.77 3.76 -1.23 -4.10 115.29 109.39 2djt s HIS 65 Ca -0.11 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.23 2djt s HIS 65 Cb 0.05 0.69 0.06 0.00 1.11 0.00 0.00 32.58 34.49 2djt s HIS 65 CO 0.67 -1.33 0.31 0.42 -0.85 0.00 0.00 174.74 173.96 2djt s ILE 66 N -3.38 -0.14 -1.14 0.60 1.01 -0.82 -1.71 121.20 115.61 2djt s ILE 66 Ca 0.14 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 2djt s ILE 66 Cb -0.05 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.96 2djt s ILE 66 CO 0.09 0.06 0.25 -0.46 0.00 0.00 0.00 174.94 174.88 2djt n ASN 67 N 4.52 -1.05 -2.91 3.58 0.23 0.12 0.22 115.26 119.98 2djt n ASN 67 Ca -0.20 -1.06 -0.22 0.00 -0.53 0.00 0.00 54.58 52.57 2djt n ASN 67 Cb 0.53 -1.29 0.03 0.00 -2.08 0.00 0.00 39.78 36.96 2djt n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2djt n GLY 68 N -2.12 -0.52 3.13 4.83 0.00 -1.26 -4.98 105.19 104.27 2djt n GLY 68 Ca -0.19 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.58 3.00 -0.45 1.61 2.56 0.60 -5.08 118.70 115.36 2djt s GLU 69 Ca 0.25 -0.83 -0.28 0.00 0.00 0.00 0.00 54.97 54.11 2djt s GLU 69 Cb -0.11 -2.55 -0.01 0.00 2.00 0.00 0.00 34.13 33.46 2djt s GLU 69 CO 0.31 -0.18 1.73 -1.54 -0.56 0.00 0.00 175.26 175.02 2djt s SER 70 N 1.22 5.77 -0.00 -1.70 1.04 -1.26 -1.95 113.70 116.81 2djt s SER 70 Ca 0.03 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.31 2djt s SER 70 Cb -0.13 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.51 2djt s SER 70 CO -0.11 -1.89 0.99 1.07 0.98 0.00 0.00 173.24 174.28 2djt n THR 71 N 7.26 0.10 -0.32 2.02 5.66 -1.26 -4.06 114.28 123.68 2djt n THR 71 Ca 0.20 -0.09 0.12 0.00 -3.05 0.00 0.00 64.05 61.24 2djt n THR 71 Cb 0.49 -0.02 0.35 0.00 -1.55 0.00 0.00 70.33 69.60 2djt n THR 71 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2djt h GLN 72 N 0.35 0.72 -0.36 1.09 1.08 -1.88 -2.65 115.11 113.46 2djt h GLN 72 Ca 0.00 -0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 56.88 2djt h GLN 72 Cb 0.15 -0.16 -0.31 0.00 -0.05 0.00 0.00 27.48 27.11 2djt h GLN 72 CO 0.00 0.47 -0.84 0.41 -0.95 0.00 0.00 178.83 177.93 2djt n GLY 73 N -1.39 4.17 3.34 3.46 0.00 -1.26 -5.04 105.19 108.47 2djt n GLY 73 Ca 0.20 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.97 2.70 1.11 0.99 1.43 -1.00 -5.12 118.68 115.82 2djt s LEU 74 Ca 0.39 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 2djt s LEU 74 Cb 0.38 -1.62 0.26 0.00 0.03 0.00 0.00 46.19 45.24 2djt s LEU 74 CO -0.04 0.13 1.25 0.42 0.23 0.00 0.00 176.35 178.34 2djt s THR 75 N 0.59 1.79 0.13 5.49 -4.23 -1.26 -4.64 115.64 113.51 2djt s THR 75 Ca -0.07 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.19 2djt s THR 75 Cb -0.15 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 2djt s THR 75 CO 0.03 0.00 1.63 -0.74 -0.54 0.00 0.00 174.62 175.00 2djt h HIS 76 N -2.19 -0.67 -0.43 3.99 2.76 -1.86 -1.52 115.15 115.22 2djt h HIS 76 Ca -0.43 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.81 2djt h HIS 76 Cb 1.24 0.31 -0.04 0.00 1.55 0.00 0.00 27.41 30.47 2djt h HIS 76 CO -2.03 -0.33 0.18 0.00 -1.30 0.00 0.00 177.93 174.44 2djt h ALA 77 N 0.58 0.52 0.16 5.26 0.00 -1.93 -2.84 119.26 121.01 2djt h ALA 77 Ca 0.09 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2djt h ALA 77 Cb 0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2djt h ALA 77 CO -0.29 -0.20 -0.52 1.96 0.00 0.00 0.00 179.25 180.20 2djt h GLN 78 N 0.36 -0.74 -0.72 0.00 1.08 -1.75 0.00 115.11 113.35 2djt h GLN 78 Ca 0.20 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.52 2djt h GLN 78 Cb 0.15 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 27.65 2djt h GLN 78 CO -0.18 -0.49 -0.57 0.00 -0.95 0.00 0.00 178.83 176.64 2djt h ALA 79 N -0.60 -0.66 0.06 3.87 0.00 -1.13 -1.40 119.26 119.39 2djt h ALA 79 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2djt h ALA 79 Cb 0.76 1.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 2djt h ALA 79 CO -0.26 -1.01 -0.41 0.28 0.00 0.00 0.00 179.25 177.85 2djt h VAL 80 N -0.19 0.16 -0.99 0.00 2.07 -1.26 -2.25 116.25 113.78 2djt h VAL 80 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.82 2djt h VAL 80 Cb 0.50 0.16 -0.18 0.00 -1.52 0.00 0.00 31.29 30.26 2djt h VAL 80 CO -0.78 0.00 -0.31 1.21 0.02 0.00 0.00 177.57 177.72 2djt n GLU 81 N -5.46 -0.15 -0.29 1.57 2.13 -0.04 0.11 120.64 118.51 2djt n GLU 81 Ca -0.06 1.54 0.04 0.00 0.66 0.00 0.00 57.16 59.34 2djt n GLU 81 Cb 0.37 -2.29 0.18 0.00 0.27 0.00 0.00 31.44 29.97 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 0.72 -0.02 5.31 2.47 -0.72 -0.76 114.38 121.39 2djt h ARG 82 Ca 0.42 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2djt h ARG 82 Cb 0.67 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2djt h ARG 82 CO -1.01 0.48 0.01 0.82 0.56 0.00 0.00 179.97 180.83 2djt h ILE 83 N 0.75 1.00 0.04 2.04 2.04 0.11 0.30 117.51 123.79 2djt h ILE 83 Ca 0.42 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.27 2djt h ILE 83 Cb 0.44 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2djt h ILE 83 CO -0.28 0.00 -0.08 0.03 0.00 0.00 0.00 178.15 177.83 2djt h ARG 84 N 0.03 -0.15 0.00 2.37 2.47 -0.58 -2.12 114.38 116.41 2djt h ARG 84 Ca 0.01 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2djt h ARG 84 Cb -0.00 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2djt h ARG 84 CO -0.00 -0.10 -0.20 0.00 0.56 0.00 0.00 179.97 180.23 2djt h ALA 85 N 0.80 1.53 -0.98 0.04 0.00 -1.04 -3.05 119.26 116.55 2djt h ALA 85 Ca 0.02 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.07 2djt h ALA 85 Cb 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.75 2djt h ALA 85 CO -0.05 0.25 0.27 0.78 0.00 0.00 0.00 179.25 180.50 2djt h GLY 86 N 0.73 1.69 0.00 0.00 0.00 0.32 -3.47 103.07 102.33 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 0.03 -0.60 0.00 0.61 0.00 0.00 0.00 176.54 176.57 2djt n GLY 87 N -1.38 0.60 0.12 4.60 0.00 -1.16 -4.72 105.19 103.25 2djt n GLY 87 Ca 0.29 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 0.17 -4.82 1.61 -0.04 -1.26 -4.62 135.00 126.03 2djt n PRO 88 Ca 0.00 0.41 -0.33 0.00 -0.04 0.00 0.00 63.50 63.54 2djt n PRO 88 Cb 0.00 -1.83 -0.15 0.00 -0.04 0.00 0.00 33.50 31.48 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 -3.29 3.35 -0.16 0.54 -0.21 -1.26 -2.79 119.66 115.84 2djt s GLN 89 Ca 0.04 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.58 2djt s GLN 89 Cb 0.09 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 2djt s GLN 89 CO 0.37 0.21 0.31 -1.17 -2.12 0.00 0.00 175.29 172.89 2djt s LEU 90 N 0.35 4.24 -0.24 2.90 0.20 -1.12 -4.86 118.68 120.16 2djt s LEU 90 Ca -0.12 0.51 -0.00 0.00 0.69 0.00 0.00 54.13 55.22 2djt s LEU 90 Cb -0.16 -2.39 0.06 0.00 -0.43 0.00 0.00 46.19 43.27 2djt s LEU 90 CO 0.06 0.08 -0.02 -2.28 -0.29 0.00 0.00 176.35 173.90 2djt s HIS 91 N 0.55 2.11 -0.09 5.38 2.46 -1.24 -3.27 115.29 121.19 2djt s HIS 91 Ca 0.17 -1.62 0.03 0.00 0.47 0.00 0.00 55.06 54.11 2djt s HIS 91 Cb -0.13 -1.53 0.01 0.00 -0.13 0.00 0.00 32.58 30.80 2djt s HIS 91 CO 0.04 -0.76 -0.18 -0.51 -2.47 0.00 0.00 174.74 170.87 2djt s LEU 92 N 1.49 1.86 -0.42 8.88 1.43 -1.21 0.16 118.68 130.86 2djt s LEU 92 Ca -0.03 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 2djt s LEU 92 Cb -0.18 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.91 2djt s LEU 92 CO -0.08 0.08 0.74 -0.69 0.23 0.00 0.00 176.35 176.63 2djt s VAL 93 N 0.61 4.72 0.14 -1.59 1.01 -0.69 -1.03 120.40 123.57 2djt s VAL 93 Ca -0.14 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.38 2djt s VAL 93 Cb -0.16 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2djt s VAL 93 CO 0.04 -0.61 -0.19 -0.63 0.00 0.00 0.00 175.10 173.72 2djt s ILE 94 N 3.10 2.76 -0.30 2.22 -1.09 0.19 -2.40 121.20 125.67 2djt s ILE 94 Ca 0.28 -1.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.07 2djt s ILE 94 Cb -0.13 -2.28 0.10 0.00 -1.58 0.00 0.00 42.46 38.57 2djt s ILE 94 CO 0.20 0.05 0.11 -0.60 -1.23 0.00 0.00 174.94 173.46 2djt s ARG 95 N -2.29 0.58 -0.25 2.79 3.52 -1.19 -1.74 118.95 120.37 2djt s ARG 95 Ca 0.19 -0.93 -0.31 0.00 -0.13 0.00 0.00 55.73 54.55 2djt s ARG 95 Cb -0.10 -1.78 -0.08 0.00 -1.56 0.00 0.00 34.95 31.43 2djt s ARG 95 CO 0.10 -0.99 2.18 0.54 -0.81 0.00 0.00 175.30 176.33 2djt n ARG 96 N 4.95 1.68 -1.17 5.12 1.74 -1.26 -4.50 116.66 123.22 2djt n ARG 96 Ca -0.03 0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 57.24 2djt n ARG 96 Cb 0.42 -2.91 0.18 0.00 -1.02 0.00 0.00 32.46 29.12 2djt n ARG 96 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2djt s PRO 97 N 6.12 0.44 0.03 5.56 0.04 -1.26 -4.97 135.00 140.95 2djt s PRO 97 Ca 1.03 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2djt s PRO 97 Cb -0.55 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2djt s PRO 97 CO 0.41 -2.73 1.24 -0.51 0.04 0.00 0.00 177.00 175.46 2djt s LEU 98 N -6.46 4.34 0.09 -3.56 1.02 -1.26 -4.89 118.68 107.95 2djt s LEU 98 Ca 0.65 1.99 0.00 0.00 0.02 0.00 0.00 54.13 56.80 2djt s LEU 98 Cb -0.19 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.45 2djt s LEU 98 CO 0.58 -0.54 0.00 -0.24 0.02 0.00 0.00 176.35 176.16 2djt n SER 99 N 4.45 0.58 0.00 2.29 2.88 -1.26 -5.17 113.62 117.39 2djt n SER 99 Ca 0.10 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2djt n SER 99 Cb 0.46 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2djt n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djt n GLY 100 N 3.02 2.19 0.14 0.46 0.00 -1.26 -4.91 105.19 104.82 2djt n GLY 100 Ca 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.64 0.20 -1.87 1.61 -0.04 -1.26 -4.80 135.00 127.20 2djt n PRO 101 Ca 0.00 0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 63.49 2djt n PRO 101 Cb 0.00 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2djt n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djt s SER 102 N -4.30 6.18 0.00 3.54 0.15 -1.26 -4.93 113.70 113.08 2djt s SER 102 Ca 0.04 2.90 0.00 0.00 0.70 0.00 0.00 55.95 59.58 2djt s SER 102 Cb 0.09 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2djt s SER 102 CO 0.39 -0.97 0.00 -1.20 1.20 0.00 0.00 173.24 172.67 2djt n SER 103 N 0.16 0.50 0.00 5.45 7.64 -1.26 -5.11 113.62 121.00 2djt n SER 103 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2djt n SER 103 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2djt n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64