#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 6.54 0.15 1.61 0.01 -1.26 -5.11 113.70 115.65 2djt s SER 2 Ca 0.00 0.67 0.11 0.00 1.31 0.00 0.00 55.95 58.04 2djt s SER 2 Cb 0.00 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2djt s SER 2 CO 0.00 0.09 -0.26 -0.44 0.41 0.00 0.00 173.24 173.04 2djt s SER 3 N -2.21 3.35 0.00 2.44 0.01 -1.26 -5.13 113.70 110.91 2djt s SER 3 Ca 0.39 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2djt s SER 3 Cb -0.13 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2djt s SER 3 CO 0.22 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2djt n GLY 4 N 0.66 1.25 3.46 3.44 0.00 -1.26 -5.09 105.19 107.65 2djt n GLY 4 Ca -0.16 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 2djt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djt s SER 5 N 0.00 6.42 -0.40 1.61 0.15 -1.26 -4.88 113.70 115.34 2djt s SER 5 Ca 0.00 -1.55 -0.02 0.00 0.70 0.00 0.00 55.95 55.08 2djt s SER 5 Cb 0.00 -2.42 0.21 0.00 -1.71 0.00 0.00 66.02 62.11 2djt s SER 5 CO 0.00 -1.25 2.18 -1.20 1.20 0.00 0.00 173.24 174.17 2djt n SER 6 N 7.19 6.64 -2.95 5.45 7.64 -1.26 -4.46 113.62 131.87 2djt n SER 6 Ca 0.12 -3.19 -0.15 0.00 1.01 0.00 0.00 58.87 56.67 2djt n SER 6 Cb 0.48 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 62.60 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 0.30 1.57 0.13 0.23 0.00 -1.26 -4.95 105.19 101.20 2djt n GLY 7 Ca 0.38 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2djt n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djt n GLN 8 N 1.12 0.64 -1.72 1.61 -0.00 -1.26 -4.97 117.38 112.79 2djt n GLN 8 Ca 0.15 0.15 -0.43 0.00 -0.00 0.00 0.00 57.00 56.87 2djt n GLN 8 Cb 0.62 -1.51 -0.02 0.00 -0.00 0.00 0.00 30.24 29.33 2djt n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2djt n ALA 9 N -3.24 2.04 -0.10 2.61 0.00 -1.26 -4.93 120.51 115.63 2djt n ALA 9 Ca -0.45 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2djt n ALA 9 Cb 0.98 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 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 2.08 1.64 -0.03 0.00 7.64 -1.26 -4.73 113.62 118.96 2djt n SER 10 Ca 0.09 0.28 -0.15 0.00 1.01 0.00 0.00 58.87 60.11 2djt n SER 10 Cb 0.35 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 2djt n SER 10 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2djt h GLY 11 N -0.81 0.22 -4.49 0.23 0.00 -1.99 -3.44 103.07 92.79 2djt h GLY 11 Ca -0.45 -0.33 -0.54 0.00 0.00 0.00 0.00 47.33 46.01 2djt h GLY 11 CO -0.27 0.30 0.54 0.30 0.00 0.00 0.00 176.54 177.40 2djt s HIS 12 N -3.40 3.46 0.36 5.60 3.76 -1.26 -4.61 115.29 119.20 2djt s HIS 12 Ca -0.15 1.35 0.03 0.00 -0.15 0.00 0.00 55.06 56.14 2djt s HIS 12 Cb 0.02 -3.38 -0.05 0.00 1.11 0.00 0.00 32.58 30.28 2djt s HIS 12 CO 0.74 -1.11 0.09 -0.59 -0.85 0.00 0.00 174.74 173.02 2djt s PHE 13 N 1.11 1.86 0.24 1.40 -0.12 -0.77 -4.79 117.98 116.91 2djt s PHE 13 Ca 0.58 -1.10 0.11 0.00 -0.05 0.00 0.00 56.93 56.46 2djt s PHE 13 Cb -0.28 -1.21 -0.05 0.00 -0.63 0.00 0.00 43.02 40.85 2djt s PHE 13 CO 0.29 -0.13 -0.17 -1.12 -0.05 0.00 0.00 175.22 174.03 2djt s SER 14 N -3.53 3.76 -0.20 1.98 0.01 -1.26 -0.80 113.70 113.67 2djt s SER 14 Ca 0.31 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 2djt s SER 14 Cb 0.06 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.87 2djt s SER 14 CO 0.15 0.07 -0.09 -0.69 0.41 0.00 0.00 173.24 173.08 2djt s VAL 15 N -2.10 2.97 -0.29 3.43 1.01 -0.23 -4.90 120.40 120.29 2djt s VAL 15 Ca 0.26 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2djt s VAL 15 Cb -0.07 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2djt s VAL 15 CO 0.14 0.47 0.04 -0.70 0.00 0.00 0.00 175.10 175.04 2djt s GLU 16 N 1.32 2.84 0.31 2.72 2.12 -1.24 -2.92 118.70 123.84 2djt s GLU 16 Ca 0.04 -1.01 0.05 0.00 0.36 0.00 0.00 54.97 54.41 2djt s GLU 16 Cb -0.14 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 2djt s GLU 16 CO -0.05 -0.50 0.02 -0.51 -0.54 0.00 0.00 175.26 173.67 2djt s LEU 17 N 1.40 2.31 -0.27 2.70 1.43 -1.17 -4.95 118.68 120.13 2djt s LEU 17 Ca -0.00 -1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 51.77 2djt s LEU 17 Cb -0.18 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.60 2djt s LEU 17 CO 0.00 -0.52 -0.02 -0.69 0.23 0.00 0.00 176.35 175.35 2djt s VAL 18 N -3.20 3.10 -0.50 -1.59 1.01 -1.26 -2.44 120.40 115.51 2djt s VAL 18 Ca 0.34 -1.04 -0.44 0.00 0.00 0.00 0.00 61.98 60.83 2djt s VAL 18 Cb 0.07 -2.62 -0.19 0.00 0.00 0.00 0.00 36.38 33.64 2djt s VAL 18 CO 0.14 0.11 2.05 -1.14 0.00 0.00 0.00 175.10 176.26 2djt n ARG 19 N 4.69 0.01 0.00 2.72 0.63 -1.13 -4.88 116.66 118.70 2djt n ARG 19 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 2djt n ARG 19 Cb 0.46 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.87 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 6.89 0.92 3.70 5.14 0.00 -0.93 -4.95 105.19 115.95 2djt n GLY 20 Ca 0.51 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 2.44 3.54 -1.24 1.61 6.14 -1.26 -4.03 117.35 124.54 2djt s TYR 21 Ca 0.00 1.29 -0.01 0.00 0.64 0.00 0.00 57.07 58.99 2djt s TYR 21 Cb 0.00 -2.89 -0.00 0.00 0.42 0.00 0.00 41.96 39.48 2djt s TYR 21 CO 0.00 -0.02 0.83 0.00 0.64 0.00 0.00 175.55 177.00 2djt n ALA 22 N 4.21 -2.06 0.00 3.97 0.00 -1.26 -4.67 120.51 120.70 2djt n ALA 22 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2djt n ALA 22 Cb 0.51 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.38 -1.31 0.09 0.00 0.00 -1.26 -4.33 105.19 97.00 2djt n GLY 23 Ca -0.28 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 1.61 0.04 -1.88 -2.47 116.94 114.23 2djt h PHE 24 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 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 0.78 0.00 0.41 -0.60 0.00 0.00 178.31 178.90 2djt n GLY 25 N 1.45 0.74 3.39 -1.45 0.00 -1.26 -4.19 105.19 103.87 2djt n GLY 25 Ca -0.11 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 2djt n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2djt s LEU 26 N 0.00 2.78 -0.02 0.99 2.96 -1.26 -0.77 118.68 123.36 2djt s LEU 26 Ca 0.00 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2djt s LEU 26 Cb 0.00 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2djt s LEU 26 CO 0.00 0.17 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.10 2djt s THR 27 N 0.33 1.63 -0.15 3.68 2.01 -1.12 -5.03 115.64 116.99 2djt s THR 27 Ca -0.10 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 2djt s THR 27 Cb -0.16 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2djt s THR 27 CO 0.05 0.46 0.03 -0.76 -0.69 0.00 0.00 174.62 173.72 2djt s LEU 28 N -0.45 3.68 -0.49 4.42 1.43 -1.26 -0.10 118.68 125.91 2djt s LEU 28 Ca 0.07 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 2djt s LEU 28 Cb -0.08 -1.90 0.13 0.00 0.03 0.00 0.00 46.19 44.37 2djt s LEU 28 CO -0.01 0.24 0.32 -0.83 0.23 0.00 0.00 176.35 176.30 2djt s GLY 29 N -0.01 2.13 0.00 -3.19 0.00 -1.01 -4.80 107.32 100.44 2djt s GLY 29 Ca 0.04 -2.71 0.00 0.00 0.00 0.00 0.00 44.72 42.05 2djt s GLY 29 CO 0.01 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.80 2djt n GLY 30 N 4.45 0.42 0.47 0.20 0.00 -1.26 -4.41 105.19 105.06 2djt n GLY 30 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.85 3.56 -0.02 0.00 -0.52 -4.72 105.19 101.64 2djt n GLY 31 Ca 0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 3.49 0.27 1.61 3.52 -1.26 -0.17 118.95 126.41 2djt s ARG 32 Ca 0.00 0.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.76 2djt s ARG 32 Cb 0.00 -3.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2djt s ARG 32 CO 0.00 -1.39 0.20 -0.51 -0.81 0.00 0.00 175.30 172.78 2djt s ASP 33 N 2.57 5.39 0.36 -2.12 1.11 0.22 -3.06 116.67 121.14 2djt s ASP 33 Ca 0.37 -0.33 0.14 0.00 0.18 0.00 0.00 52.55 52.91 2djt s ASP 33 Cb -0.10 -1.27 0.70 0.00 1.07 0.00 0.00 42.92 43.31 2djt s ASP 33 CO 0.25 -0.09 1.79 0.58 1.18 0.00 0.00 175.17 178.88 2djt h VAL 34 N 1.48 1.21 0.00 -1.27 2.07 -2.03 -3.01 116.25 114.70 2djt h VAL 34 Ca -0.47 -1.41 -0.25 0.00 0.82 0.00 0.00 66.70 65.39 2djt h VAL 34 Cb 1.24 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 2djt h VAL 34 CO 0.60 0.39 -1.61 0.00 0.02 0.00 0.00 177.57 176.97 2djt n ALA 35 N -2.43 1.63 -3.23 1.67 0.00 -1.26 -5.03 120.51 111.87 2djt n ALA 35 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2djt n ALA 35 Cb 0.44 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 1.50 1.62 3.10 0.00 0.00 -1.14 -5.18 105.19 105.09 2djt n GLY 36 Ca -0.15 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 2djt n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2djt s ASP 37 N -1.61 1.07 -0.06 1.61 2.15 -1.26 0.73 116.67 119.30 2djt s ASP 37 Ca 0.05 -0.63 -0.30 0.00 0.43 0.00 0.00 52.55 52.09 2djt s ASP 37 Cb -0.01 0.03 0.08 0.00 -0.30 0.00 0.00 42.92 42.71 2djt s ASP 37 CO 0.03 -0.22 0.75 0.42 -0.17 0.00 0.00 175.17 175.98 2djt s THR 38 N -1.69 0.00 -0.21 1.71 -4.23 0.76 -4.93 115.64 107.05 2djt s THR 38 Ca -0.05 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.17 2djt s THR 38 Cb -0.08 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 2djt s THR 38 CO 0.00 0.00 1.61 -2.16 -0.54 0.00 0.00 174.62 173.53 2djt s PRO 39 N -1.33 3.83 0.06 3.99 0.04 -1.26 -1.44 135.00 138.89 2djt s PRO 39 Ca -0.08 1.69 -0.34 0.00 0.04 0.00 0.00 61.00 62.30 2djt s PRO 39 Cb -0.00 -4.02 -0.13 0.00 0.04 0.00 0.00 34.50 30.38 2djt s PRO 39 CO 0.07 -1.25 1.67 1.28 0.04 0.00 0.00 177.00 178.80 2djt n LEU 40 N 8.32 3.08 -3.78 -3.56 4.77 -1.26 -4.48 117.00 120.09 2djt n LEU 40 Ca 0.19 1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 57.09 2djt n LEU 40 Cb 0.45 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.06 2djt n LEU 40 CO 0.64 -0.27 -0.03 0.00 -1.33 0.00 0.00 177.39 176.40 2djt s ALA 41 N 2.01 -0.68 -0.23 -1.18 0.00 -1.26 -2.10 121.76 118.32 2djt s ALA 41 Ca 0.84 0.40 -0.40 0.00 0.00 0.00 0.00 51.96 52.81 2djt s ALA 41 Cb -0.72 -0.10 -0.16 0.00 0.00 0.00 0.00 23.12 22.15 2djt s ALA 41 CO 0.44 -0.21 1.66 0.28 0.00 0.00 0.00 175.76 177.93 2djt n VAL 42 N 1.83 0.24 -0.02 0.00 0.31 -1.26 -2.39 118.33 117.04 2djt n VAL 42 Ca -0.19 -0.04 -0.02 0.00 -0.01 0.00 0.00 64.34 64.08 2djt n VAL 42 Cb 0.57 -1.10 -0.01 0.00 -0.91 0.00 0.00 33.84 32.38 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 4.80 0.14 -4.41 5.55 3.00 0.86 -3.05 116.66 123.56 2djt n ARG 43 Ca 0.25 0.15 -0.27 0.00 -0.00 0.00 0.00 57.85 57.99 2djt n ARG 43 Cb 0.13 -0.85 -0.12 0.00 0.00 0.00 0.00 32.46 31.62 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 -3.33 1.70 -0.30 5.14 0.00 -1.13 -4.80 107.32 104.60 2djt s GLY 44 Ca -0.07 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.07 2djt s GLY 44 CO 0.10 -1.62 0.02 1.08 0.00 0.00 0.00 173.10 172.67 2djt s LEU 45 N -2.59 3.60 -0.42 0.66 1.43 -1.26 -2.81 118.68 117.29 2djt s LEU 45 Ca 0.20 -1.74 -0.41 0.00 -1.03 0.00 0.00 54.13 51.15 2djt s LEU 45 Cb -0.08 -1.36 -0.16 0.00 0.03 0.00 0.00 46.19 44.61 2djt s LEU 45 CO 0.10 -0.33 1.99 -0.11 0.23 0.00 0.00 176.35 178.23 2djt n LEU 46 N 4.49 1.51 -4.62 1.79 0.00 0.05 -4.79 117.00 115.42 2djt n LEU 46 Ca -0.03 0.76 -0.47 0.00 0.00 0.00 0.00 56.01 56.27 2djt n LEU 46 Cb 0.42 -1.04 -0.03 0.00 0.00 0.00 0.00 43.42 42.77 2djt n LEU 46 CO 0.19 -0.70 0.85 1.17 0.00 0.00 0.00 177.39 178.90 2djt n LYS 47 N 6.74 1.54 -3.27 1.96 3.00 -1.26 -1.67 118.16 125.19 2djt n LYS 47 Ca 0.42 0.55 -0.17 0.00 -0.00 0.00 0.00 58.31 59.11 2djt n LYS 47 Cb 0.06 -2.12 0.06 0.00 0.00 0.00 0.00 35.03 33.03 2djt n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2djt n ASP 48 N 2.10 -4.96 -4.80 3.14 2.03 -1.26 -5.03 116.55 107.78 2djt n ASP 48 Ca 0.14 -0.39 -0.25 0.00 0.52 0.00 0.00 54.79 54.81 2djt n ASP 48 Cb 0.27 -3.76 -0.05 0.00 -0.72 0.00 0.00 41.12 36.86 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 -3.28 2.35 0.20 0.27 0.00 -0.67 -4.99 107.32 101.20 2djt s GLY 49 Ca 0.40 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 2djt s GLY 49 CO 0.52 -1.90 1.55 -0.56 0.00 0.00 0.00 173.10 172.72 2djt h PRO 50 N 1.20 0.65 -0.06 2.90 0.13 -1.87 -0.94 132.00 134.00 2djt h PRO 50 Ca -0.41 -0.34 -0.23 0.00 -0.87 0.00 0.00 66.00 64.14 2djt h PRO 50 Cb 1.27 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.42 2djt h PRO 50 CO 0.65 0.95 -0.89 0.00 -0.23 0.00 0.00 178.00 178.48 2djt h ALA 51 N 1.01 0.31 -0.06 -0.56 0.00 -1.92 -2.11 119.26 115.92 2djt h ALA 51 Ca 0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 2djt h ALA 51 Cb 0.95 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2djt h ALA 51 CO 0.09 0.73 -0.09 0.37 0.00 0.00 0.00 179.25 180.34 2djt h GLN 52 N 0.39 0.17 -0.47 0.00 4.15 -1.81 -2.80 115.11 114.75 2djt h GLN 52 Ca -0.08 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 2djt h GLN 52 Cb 1.51 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.19 2djt h GLN 52 CO 0.17 0.66 0.25 0.00 -1.93 0.00 0.00 178.83 177.97 2djt h ARG 53 N -0.30 0.66 -0.78 1.69 3.08 -1.26 -2.49 114.38 114.98 2djt h ARG 53 Ca 0.01 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.05 2djt h ARG 53 Cb 0.64 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 2djt h ARG 53 CO 0.02 0.53 0.51 0.00 -1.07 0.00 0.00 179.97 179.96 2djt n GLY 55 N -1.44 1.13 0.28 0.00 0.00 -0.94 -4.77 105.19 99.45 2djt n GLY 55 Ca 0.12 -0.04 0.25 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.05 -3.70 1.61 1.74 -1.26 -3.67 116.66 111.32 2djt n ARG 56 Ca 0.00 1.20 -0.38 0.00 -0.77 0.00 0.00 57.85 57.91 2djt n ARG 56 Cb 0.00 -2.12 -0.12 0.00 -1.02 0.00 0.00 32.46 29.19 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 -9.99 3.88 0.09 0.55 1.43 -1.26 -5.08 118.68 108.30 2djt s LEU 57 Ca -0.08 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2djt s LEU 57 Cb 0.29 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2djt s LEU 57 CO 0.67 -0.15 -0.07 -1.61 0.23 0.00 0.00 176.35 175.42 2djt s GLU 58 N 1.59 0.78 0.02 1.70 2.02 -1.24 -4.61 118.70 118.96 2djt s GLU 58 Ca 0.05 -1.23 -0.33 0.00 0.02 0.00 0.00 54.97 53.48 2djt s GLU 58 Cb -0.17 -0.22 -0.11 0.00 0.10 0.00 0.00 34.13 33.73 2djt s GLU 58 CO 0.05 -0.00 1.84 0.28 0.02 0.00 0.00 175.26 177.44 2djt n VAL 59 N 0.23 0.47 0.00 2.63 0.31 -1.26 -2.31 118.33 118.40 2djt n VAL 59 Ca -0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2djt n VAL 59 Cb 0.60 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 4.23 1.97 3.55 2.92 0.00 -1.17 -4.97 105.19 111.72 2djt n GLY 60 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2djt n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2djt s ASP 61 N -1.85 1.56 -0.21 1.61 -4.77 -0.98 -4.88 116.67 107.15 2djt s ASP 61 Ca 0.00 1.81 0.02 0.00 -3.30 0.00 0.00 52.55 51.08 2djt s ASP 61 Cb 0.00 -2.44 0.03 0.00 -1.09 0.00 0.00 42.92 39.43 2djt s ASP 61 CO 0.00 -3.89 -0.17 -0.76 0.70 0.00 0.00 175.17 171.05 2djt s LEU 62 N -7.05 2.59 -0.24 2.11 1.43 -1.26 -3.99 118.68 112.27 2djt s LEU 62 Ca 0.68 -0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 2djt s LEU 62 Cb -0.25 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2djt s LEU 62 CO 0.63 -0.07 0.73 -0.69 0.23 0.00 0.00 176.35 177.17 2djt s VAL 63 N 1.23 4.92 -0.21 -1.59 1.01 -0.89 -3.24 120.40 121.62 2djt s VAL 63 Ca -0.00 1.36 0.09 0.00 0.00 0.00 0.00 61.98 63.42 2djt s VAL 63 Cb -0.16 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.01 2djt s VAL 63 CO -0.10 -0.01 -0.08 0.18 0.00 0.00 0.00 175.10 175.08 2djt n LEU 64 N 5.78 1.60 -3.85 3.92 4.77 -0.87 -4.69 117.00 123.66 2djt n LEU 64 Ca 0.02 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2djt n LEU 64 Cb 0.48 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2djt n LEU 64 CO 0.45 0.70 0.14 -1.00 -1.33 0.00 0.00 177.39 176.35 2djt s HIS 65 N -2.46 0.13 -0.02 -1.77 3.76 -1.24 -4.17 115.29 109.51 2djt s HIS 65 Ca -0.21 -0.48 -0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2djt s HIS 65 Cb 0.07 0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.98 2djt s HIS 65 CO 0.65 -0.83 0.04 0.42 -0.85 0.00 0.00 174.74 174.17 2djt s ILE 66 N -3.92 -0.06 -0.96 0.60 1.01 -1.18 -0.90 121.20 115.79 2djt s ILE 66 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2djt s ILE 66 Cb 0.01 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.38 2djt s ILE 66 CO -0.01 0.09 0.00 0.59 0.00 0.00 0.00 174.94 175.61 2djt n ASN 67 N 4.19 -3.20 -0.33 3.58 3.02 -0.11 0.29 115.26 122.70 2djt n ASN 67 Ca -0.28 0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.50 2djt n ASN 67 Cb 0.50 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 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 -0.57 0.46 3.64 7.41 0.00 -1.26 -5.06 105.19 109.81 2djt n GLY 68 Ca -0.12 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.37 2.01 -0.42 1.61 2.02 0.15 -5.11 118.70 114.58 2djt s GLU 69 Ca 0.01 -2.03 -0.13 0.00 0.02 0.00 0.00 54.97 52.84 2djt s GLU 69 Cb -0.01 -1.73 0.05 0.00 0.10 0.00 0.00 34.13 32.55 2djt s GLU 69 CO 0.02 -0.04 0.30 -1.54 0.02 0.00 0.00 175.26 174.01 2djt s SER 70 N -3.74 5.95 0.52 -0.19 1.04 -1.26 -3.13 113.70 112.88 2djt s SER 70 Ca 0.36 -1.17 0.24 0.00 0.48 0.00 0.00 55.95 55.85 2djt s SER 70 Cb 0.08 -2.10 1.42 0.00 0.10 0.00 0.00 66.02 65.51 2djt s SER 70 CO 0.19 -0.52 2.11 0.71 0.98 0.00 0.00 173.24 176.71 2djt h THR 71 N 5.81 0.74 -0.90 2.02 1.35 -1.91 -2.39 112.91 117.64 2djt h THR 71 Ca -0.26 -0.37 0.14 0.00 -0.55 0.00 0.00 66.41 65.37 2djt h THR 71 Cb 1.11 1.22 -0.07 0.00 -1.73 0.00 0.00 68.15 68.68 2djt h THR 71 CO 0.77 0.09 0.58 -0.61 -0.25 0.00 0.00 175.52 176.10 2djt h GLN 72 N 0.00 0.70 -0.01 4.72 4.15 -1.92 0.25 115.11 123.00 2djt h GLN 72 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2djt h GLN 72 Cb 0.21 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2djt h GLN 72 CO 0.01 0.46 -0.11 0.41 -1.93 0.00 0.00 178.83 177.68 2djt n GLY 73 N -1.42 -0.58 3.65 2.39 0.00 -0.90 -4.88 105.19 103.44 2djt n GLY 73 Ca 0.17 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.29 3.08 0.00 0.99 1.43 0.88 -5.12 118.68 117.65 2djt s LEU 74 Ca 0.32 -0.85 0.06 0.00 -1.03 0.00 0.00 54.13 52.64 2djt s LEU 74 Cb 0.20 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.96 2djt s LEU 74 CO 0.43 -0.17 0.53 0.35 0.23 0.00 0.00 176.35 177.73 2djt n THR 75 N -0.96 0.00 -0.22 5.49 -2.24 -1.26 -4.81 114.28 110.27 2djt n THR 75 Ca -0.05 -1.98 0.02 0.00 -2.27 0.00 0.00 64.05 59.77 2djt n THR 75 Cb 0.61 -0.24 0.14 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.44 0.43 0.21 4.78 2.76 -1.82 -1.68 115.15 120.27 2djt h HIS 76 Ca -0.30 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.89 2djt h HIS 76 Cb 1.20 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.07 2djt h HIS 76 CO 0.00 0.09 -0.10 0.00 -1.30 0.00 0.00 177.93 176.62 2djt h ALA 77 N 1.47 -0.81 -0.82 5.26 0.00 -1.92 -2.98 119.26 119.45 2djt h ALA 77 Ca 0.35 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.40 2djt h ALA 77 Cb 0.47 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 2djt h ALA 77 CO -0.35 -0.79 -0.07 1.04 0.00 0.00 0.00 179.25 179.09 2djt n GLN 78 N -2.97 -0.07 0.08 0.00 1.13 -1.17 0.39 117.38 114.77 2djt n GLN 78 Ca -0.03 1.25 -0.13 0.00 -1.94 0.00 0.00 57.00 56.15 2djt n GLN 78 Cb 0.11 -1.94 -0.06 0.00 0.11 0.00 0.00 30.24 28.46 2djt n GLN 78 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2djt h ALA 79 N 1.64 -0.61 -0.80 -1.58 0.00 -1.32 0.19 119.26 116.79 2djt h ALA 79 Ca 0.46 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.48 2djt h ALA 79 Cb 0.86 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 2djt h ALA 79 CO -0.80 -0.91 0.53 0.28 0.00 0.00 0.00 179.25 178.35 2djt h VAL 80 N -0.56 0.79 0.07 0.00 2.07 0.09 -2.06 116.25 116.65 2djt h VAL 80 Ca 0.04 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2djt h VAL 80 Cb 0.62 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2djt h VAL 80 CO -0.27 0.09 -0.03 -0.08 0.02 0.00 0.00 177.57 177.29 2djt h GLU 81 N 0.47 -0.08 -1.38 1.57 4.22 -0.28 -2.86 114.58 116.24 2djt h GLU 81 Ca 0.40 0.01 0.40 0.00 0.08 0.00 0.00 59.36 60.25 2djt h GLU 81 Cb 0.87 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 2djt h GLU 81 CO -0.14 0.40 1.10 0.00 -2.18 0.00 0.00 179.01 178.18 2djt h ARG 82 N -0.61 0.00 0.00 1.92 2.47 0.05 0.14 114.38 118.35 2djt h ARG 82 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2djt h ARG 82 Cb 0.52 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2djt h ARG 82 CO 0.01 0.00 -0.04 0.82 0.56 0.00 0.00 179.97 181.32 2djt h ILE 83 N 0.00 0.43 -0.94 2.04 2.04 -1.43 -1.92 117.51 117.73 2djt h ILE 83 Ca 0.66 -1.33 0.19 0.00 1.00 0.00 0.00 64.86 65.37 2djt h ILE 83 Cb 2.84 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 39.66 2djt h ILE 83 CO -0.01 0.15 0.60 0.08 0.00 0.00 0.00 178.15 178.97 2djt h ARG 84 N -1.00 0.57 -0.00 2.37 0.11 -0.79 0.53 114.38 116.17 2djt h ARG 84 Ca -0.01 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2djt h ARG 84 Cb 0.28 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2djt h ARG 84 CO -0.00 0.38 -0.35 0.00 0.10 0.00 0.00 179.97 180.10 2djt n ALA 85 N -2.44 3.20 -0.34 0.08 0.00 0.28 -4.12 120.51 117.18 2djt n ALA 85 Ca 0.20 -0.30 0.20 0.00 0.00 0.00 0.00 53.44 53.54 2djt n ALA 85 Cb 0.61 -1.21 0.44 0.00 0.00 0.00 0.00 19.45 19.29 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 4.99 1.61 0.00 0.00 0.00 0.92 -3.48 103.07 107.11 2djt h GLY 86 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2djt h GLY 86 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 176.96 2djt n GLY 87 N -1.38 0.20 0.25 4.60 0.00 -1.26 -4.66 105.19 102.95 2djt n GLY 87 Ca 0.26 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 -5.18 1.61 0.13 -1.94 -3.42 132.00 123.20 2djt h PRO 88 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 2djt h PRO 88 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 2djt h PRO 88 CO 0.00 0.12 -0.79 -0.65 -0.23 0.00 0.00 178.00 176.45 2djt s GLN 89 N -3.74 3.26 -0.06 0.86 -0.21 -1.26 -2.83 119.66 115.68 2djt s GLN 89 Ca 0.00 -0.72 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 2djt s GLN 89 Cb 0.10 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 2djt s GLN 89 CO 0.59 0.00 0.45 -1.17 -2.12 0.00 0.00 175.29 173.04 2djt s LEU 90 N 0.86 4.38 -0.20 2.90 0.20 -1.02 -4.88 118.68 120.92 2djt s LEU 90 Ca -0.04 0.90 -0.01 0.00 0.69 0.00 0.00 54.13 55.66 2djt s LEU 90 Cb -0.15 -2.65 0.06 0.00 -0.43 0.00 0.00 46.19 43.02 2djt s LEU 90 CO -0.00 0.16 -0.00 -2.28 -0.29 0.00 0.00 176.35 173.93 2djt s HIS 91 N -0.22 1.52 -0.10 5.38 2.46 -1.22 -3.04 115.29 120.07 2djt s HIS 91 Ca 0.25 -1.14 0.00 0.00 0.47 0.00 0.00 55.06 54.64 2djt s HIS 91 Cb -0.16 -1.23 0.02 0.00 -0.13 0.00 0.00 32.58 31.09 2djt s HIS 91 CO 0.12 -0.65 -0.08 -0.51 -2.47 0.00 0.00 174.74 171.14 2djt s LEU 92 N 1.69 1.26 -0.32 8.88 1.43 -1.15 -0.93 118.68 129.55 2djt s LEU 92 Ca -0.02 -0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 2djt s LEU 92 Cb -0.17 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.24 2djt s LEU 92 CO -0.07 -0.09 1.01 -0.69 0.23 0.00 0.00 176.35 176.74 2djt s VAL 93 N 1.51 4.57 0.01 -1.59 1.01 -0.08 -1.07 120.40 124.77 2djt s VAL 93 Ca 0.01 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.65 2djt s VAL 93 Cb -0.13 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2djt s VAL 93 CO -0.06 -0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 173.86 2djt s ILE 94 N 3.50 0.94 -0.48 2.22 -1.09 0.02 -2.05 121.20 124.28 2djt s ILE 94 Ca 0.43 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 2djt s ILE 94 Cb -0.13 -0.83 0.13 0.00 -1.58 0.00 0.00 42.46 40.05 2djt s ILE 94 CO 0.15 0.11 0.24 -0.60 -1.23 0.00 0.00 174.94 173.60 2djt s ARG 95 N -0.70 1.65 -0.91 2.79 3.52 -1.20 -1.84 118.95 122.26 2djt s ARG 95 Ca 0.02 -2.31 -0.33 0.00 -0.13 0.00 0.00 55.73 52.99 2djt s ARG 95 Cb -0.06 -2.89 -0.21 0.00 -1.56 0.00 0.00 34.95 30.23 2djt s ARG 95 CO 0.00 -1.12 2.61 -2.13 -0.81 0.00 0.00 175.30 173.85 2djt n ARG 96 N 3.37 0.04 -1.10 5.12 0.63 -1.26 -4.67 116.66 118.79 2djt n ARG 96 Ca 0.06 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 2djt n ARG 96 Cb 0.34 -1.57 0.23 0.00 0.45 0.00 0.00 32.46 31.91 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 8.53 -0.91 -0.98 -0.14 0.04 -1.26 -4.96 135.00 135.32 2djt s PRO 97 Ca 1.32 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 2djt s PRO 97 Cb -1.26 -1.62 0.18 0.00 0.04 0.00 0.00 34.50 31.84 2djt s PRO 97 CO 0.51 -3.53 1.08 -0.51 0.04 0.00 0.00 177.00 174.59 2djt s LEU 98 N -6.85 5.72 -0.43 -3.56 1.02 -1.26 -4.97 118.68 108.34 2djt s LEU 98 Ca 0.70 -2.61 -0.04 0.00 0.02 0.00 0.00 54.13 52.20 2djt s LEU 98 Cb -0.12 -2.32 0.11 0.00 0.02 0.00 0.00 46.19 43.89 2djt s LEU 98 CO 0.56 -0.76 0.24 -0.44 0.02 0.00 0.00 176.35 175.97 2djt s SER 99 N 2.76 5.34 0.00 2.29 0.01 -1.26 -4.82 113.70 118.02 2djt s SER 99 Ca 0.30 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.52 2djt s SER 99 Cb -0.07 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2djt s SER 99 CO -0.07 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2djt n GLY 100 N 4.61 1.04 3.64 3.44 0.00 -1.26 -5.02 105.19 111.64 2djt n GLY 100 Ca -0.03 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.11 3.95 -1.38 1.61 0.04 -1.26 -3.27 135.00 134.58 2djt s PRO 101 Ca 0.00 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 2djt s PRO 101 Cb 0.00 -3.98 0.13 0.00 0.04 0.00 0.00 34.50 30.68 2djt s PRO 101 CO 0.00 -1.10 0.53 0.43 0.04 0.00 0.00 177.00 176.90 2djt n SER 102 N 7.86 -2.78 -4.26 6.66 7.64 -1.26 -4.90 113.62 122.58 2djt n SER 102 Ca 0.18 -0.66 -0.15 0.00 1.01 0.00 0.00 58.87 59.25 2djt n SER 102 Cb 0.45 -2.33 -0.10 0.00 -1.01 0.00 0.00 64.21 61.21 2djt n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2djt s SER 103 N -2.91 0.74 0.00 6.43 0.01 -1.20 -5.31 113.70 111.46 2djt s SER 103 Ca 0.55 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2djt s SER 103 Cb -0.31 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2djt s SER 103 CO 0.68 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 174.16