#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9t n SER 2 N 0.00 -2.30 -4.28 1.61 2.88 -1.26 -4.93 113.62 105.34 2d9t n SER 2 Ca 0.00 0.71 -0.29 0.00 -1.33 0.00 0.00 58.87 57.96 2d9t n SER 2 Cb 0.00 -0.75 0.17 0.00 -0.75 0.00 0.00 64.21 62.88 2d9t n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d9t s SER 3 N -0.84 3.42 0.00 -3.46 1.04 -1.26 -5.10 113.70 107.50 2d9t s SER 3 Ca 0.50 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2d9t s SER 3 Cb -0.56 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2d9t s SER 3 CO 0.52 -2.54 0.00 0.61 0.98 0.00 0.00 173.24 172.82 2d9t n GLY 4 N -3.61 0.97 3.68 7.32 0.00 -1.26 -5.13 105.19 107.16 2d9t n GLY 4 Ca 0.14 0.56 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 2d9t n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9t s SER 5 N 0.00 7.06 0.17 1.61 1.04 -1.26 -4.93 113.70 117.39 2d9t s SER 5 Ca 0.00 1.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.99 2d9t s SER 5 Cb 0.00 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2d9t s SER 5 CO 0.00 -0.62 1.70 0.28 0.98 0.00 0.00 173.24 175.57 2d9t h SER 6 N 7.61 0.87 0.00 7.02 0.02 -2.00 -3.48 113.55 123.58 2d9t h SER 6 Ca -0.29 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2d9t h SER 6 Cb 1.13 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2d9t h SER 6 CO 0.91 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 178.07 2d9t n GLY 7 N -0.70 -0.22 3.67 -3.77 0.00 -1.26 -5.10 105.19 97.81 2d9t n GLY 7 Ca 0.03 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2d9t n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d9t s LYS 8 N 0.00 4.27 -0.12 1.61 2.36 -1.26 -5.00 119.74 121.61 2d9t s LYS 8 Ca 0.00 1.73 -0.25 0.00 -2.55 0.00 0.00 55.97 54.90 2d9t s LYS 8 Cb 0.00 -3.69 -0.02 0.00 -1.05 0.00 0.00 37.83 33.07 2d9t s LYS 8 CO 0.00 -0.61 0.80 0.08 1.55 0.00 0.00 175.35 177.17 2d9t s VAL 9 N 2.98 4.93 0.33 4.02 1.01 -1.26 -5.06 120.40 127.35 2d9t s VAL 9 Ca 0.57 1.60 0.08 0.00 0.00 0.00 0.00 61.98 64.24 2d9t s VAL 9 Cb -0.24 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2d9t s VAL 9 CO 0.19 0.11 0.13 0.26 0.00 0.00 0.00 175.10 175.79 2d9t s TRP 10 N 1.62 2.72 0.05 5.22 0.52 -1.26 -5.15 118.94 122.66 2d9t s TRP 10 Ca 0.39 -0.36 -0.18 0.00 0.02 0.00 0.00 56.10 55.97 2d9t s TRP 10 Cb -0.17 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.59 2d9t s TRP 10 CO 0.16 0.37 0.41 0.15 0.02 0.00 0.00 176.95 178.05 2d9t s LYS 11 N -3.83 0.92 -0.49 4.98 1.02 -1.26 -5.04 119.74 116.04 2d9t s LYS 11 Ca 0.37 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.71 2d9t s LYS 11 Cb -0.03 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.67 2d9t s LYS 11 CO 0.22 -0.31 1.79 -1.25 -0.92 0.00 0.00 175.35 174.88 2d9t s PRO 12 N -2.50 2.99 0.00 -1.68 0.04 -1.26 -3.26 135.00 129.33 2d9t s PRO 12 Ca -0.05 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2d9t s PRO 12 Cb -0.01 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2d9t s PRO 12 CO -0.03 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.14 2d9t n GLY 13 N 5.53 1.81 3.05 0.56 0.00 -0.26 -5.02 105.19 110.87 2d9t n GLY 13 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 2d9t n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d9t s ASP 14 N -1.81 1.75 0.01 1.61 1.11 -1.20 -4.95 116.67 113.18 2d9t s ASP 14 Ca 0.00 -0.29 -0.30 0.00 0.18 0.00 0.00 52.55 52.14 2d9t s ASP 14 Cb 0.00 -0.61 -0.04 0.00 1.07 0.00 0.00 42.92 43.34 2d9t s ASP 14 CO 0.00 0.08 1.12 -1.83 1.18 0.00 0.00 175.17 175.73 2d9t s GLU 15 N 0.33 4.45 0.18 8.23 -1.05 -1.26 0.29 118.70 129.88 2d9t s GLU 15 Ca -0.08 1.63 -0.11 0.00 -0.15 0.00 0.00 54.97 56.26 2d9t s GLU 15 Cb -0.12 -3.43 -0.00 0.00 -0.44 0.00 0.00 34.13 30.13 2d9t s GLU 15 CO 0.02 -0.24 0.35 0.00 0.95 0.00 0.00 175.26 176.34 2d9t s PHE 17 N -3.96 3.22 -0.11 0.00 0.40 0.20 0.13 117.98 117.86 2d9t s PHE 17 Ca 0.17 0.06 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 2d9t s PHE 17 Cb 0.02 -2.61 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 2d9t s PHE 17 CO 0.01 -0.36 -0.09 0.00 0.70 0.00 0.00 175.22 175.48 2d9t s ALA 18 N 1.98 2.83 0.07 5.36 0.00 -0.27 -1.56 121.76 130.17 2d9t s ALA 18 Ca 0.11 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 2d9t s ALA 18 Cb -0.16 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 2d9t s ALA 18 CO 0.11 0.37 1.30 -1.17 0.00 0.00 0.00 175.76 176.38 2d9t s LEU 19 N -0.11 4.36 0.65 0.00 2.96 -1.20 -2.37 118.68 122.97 2d9t s LEU 19 Ca 0.00 2.15 -0.16 0.00 -0.22 0.00 0.00 54.13 55.90 2d9t s LEU 19 Cb -0.13 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 2d9t s LEU 19 CO 0.03 -0.58 1.16 -0.47 -1.32 0.00 0.00 176.35 175.17 2d9t s TYR 20 N 1.30 2.41 -2.24 5.38 5.04 -0.71 -4.84 117.35 123.69 2d9t s TYR 20 Ca 0.62 1.56 0.26 0.00 -2.44 0.00 0.00 57.07 57.06 2d9t s TYR 20 Cb -0.33 -3.34 0.61 0.00 0.35 0.00 0.00 41.96 39.26 2d9t s TYR 20 CO 0.29 -2.05 1.48 -2.67 -1.34 0.00 0.00 175.55 171.26 2d9t n TRP 21 N -2.22 0.00 0.04 4.97 4.27 -1.26 -1.13 117.44 122.12 2d9t n TRP 21 Ca 0.12 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.74 2d9t n TRP 21 Cb 0.51 -0.04 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 2d9t n TRP 21 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 2d9t n GLU 22 N 0.05 2.27 0.00 -2.67 -0.58 -1.26 -4.75 120.64 113.70 2d9t n GLU 22 Ca 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2d9t n GLU 22 Cb 0.41 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 2d9t n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2d9t n ASP 23 N -1.39 4.16 -1.72 1.62 8.00 -1.26 -5.02 116.55 120.94 2d9t n ASP 23 Ca -0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2d9t n ASP 23 Cb 0.05 0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.74 2d9t n ASP 23 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2d9t n ASN 24 N -1.52 -4.87 -4.53 -2.24 4.13 -0.28 -4.92 115.26 101.02 2d9t n ASN 24 Ca 0.00 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.03 2d9t n ASN 24 Cb 0.23 -3.94 -0.12 0.00 -1.54 0.00 0.00 39.78 34.41 2d9t n ASN 24 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2d9t s LYS 25 N -4.48 2.33 -0.12 3.52 1.02 -1.26 -4.72 119.74 116.04 2d9t s LYS 25 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 2d9t s LYS 25 Cb 0.00 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 2d9t s LYS 25 CO 0.00 0.57 1.47 -0.06 -0.92 0.00 0.00 175.35 176.42 2d9t s PHE 26 N -0.96 2.38 0.06 3.18 0.08 -1.26 -1.73 117.98 119.74 2d9t s PHE 26 Ca 0.16 0.59 0.05 0.00 0.12 0.00 0.00 56.93 57.84 2d9t s PHE 26 Cb -0.11 -3.74 -0.03 0.00 -0.57 0.00 0.00 43.02 38.58 2d9t s PHE 26 CO 0.06 -2.81 -0.13 0.71 -0.10 0.00 0.00 175.22 172.95 2d9t s TYR 27 N 3.87 1.15 0.49 0.36 2.02 -1.00 -4.92 117.35 119.31 2d9t s TYR 27 Ca 0.65 -0.45 -0.21 0.00 -0.37 0.00 0.00 57.07 56.69 2d9t s TYR 27 Cb -0.27 -0.65 -0.09 0.00 -0.40 0.00 0.00 41.96 40.54 2d9t s TYR 27 CO 0.23 0.04 0.78 -2.13 -1.57 0.00 0.00 175.55 172.89 2d9t n ARG 28 N 1.38 0.88 -3.09 -0.62 0.00 -1.26 -1.11 116.66 112.84 2d9t n ARG 28 Ca -0.21 0.33 -0.04 0.00 -0.00 0.00 0.00 57.85 57.93 2d9t n ARG 28 Cb 0.54 -1.86 0.02 0.00 0.00 0.00 0.00 32.46 31.16 2d9t n ARG 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d9t n ALA 29 N -1.11 -1.65 -3.65 5.13 0.00 0.34 -3.66 120.51 115.90 2d9t n ALA 29 Ca 0.11 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 2d9t n ALA 29 Cb 0.43 0.54 -0.13 0.00 0.00 0.00 0.00 19.45 20.28 2d9t n ALA 29 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d9t s GLU 30 N -2.05 0.14 -0.59 0.00 2.12 0.92 0.33 118.70 119.57 2d9t s GLU 30 Ca 0.14 0.69 -0.34 0.00 0.36 0.00 0.00 54.97 55.82 2d9t s GLU 30 Cb -0.03 -0.14 -0.15 0.00 0.26 0.00 0.00 34.13 34.07 2d9t s GLU 30 CO 0.06 -0.31 2.37 0.28 -0.54 0.00 0.00 175.26 177.11 2d9t n VAL 31 N 5.35 0.05 -0.04 3.70 0.31 0.15 -1.53 118.33 126.31 2d9t n VAL 31 Ca -0.06 -0.23 -0.15 0.00 -0.01 0.00 0.00 64.34 63.90 2d9t n VAL 31 Cb 0.50 -1.30 -0.12 0.00 -0.91 0.00 0.00 33.84 32.01 2d9t n VAL 31 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2d9t h GLU 32 N 12.86 0.10 -1.46 5.55 4.22 0.39 -0.67 114.58 135.58 2d9t h GLU 32 Ca -0.17 -0.12 0.10 0.00 0.08 0.00 0.00 59.36 59.24 2d9t h GLU 32 Cb 1.33 0.04 -0.28 0.00 0.50 0.00 0.00 28.75 30.34 2d9t h GLU 32 CO 1.16 0.94 0.57 0.00 -2.18 0.00 0.00 179.01 179.50 2d9t s ALA 33 N -2.82 -2.03 0.45 2.92 0.00 -0.64 -4.68 121.76 114.95 2d9t s ALA 33 Ca -0.17 1.81 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 2d9t s ALA 33 Cb -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2d9t s ALA 33 CO 0.72 -0.21 0.70 -0.51 0.00 0.00 0.00 175.76 176.46 2d9t s LEU 34 N 0.04 3.71 0.46 0.00 1.43 -1.26 -0.05 118.68 123.00 2d9t s LEU 34 Ca 0.04 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 2d9t s LEU 34 Cb -0.05 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2d9t s LEU 34 CO -0.08 -0.57 0.74 -2.28 0.23 0.00 0.00 176.35 174.39 2d9t s HIS 35 N -2.60 3.50 0.05 0.29 5.65 -1.13 -4.89 115.29 116.16 2d9t s HIS 35 Ca 0.46 0.66 -0.24 0.00 0.25 0.00 0.00 55.06 56.20 2d9t s HIS 35 Cb -0.10 -2.25 -0.16 0.00 -1.18 0.00 0.00 32.58 28.89 2d9t s HIS 35 CO 0.41 -0.24 1.55 1.03 -0.65 0.00 0.00 174.74 176.83 2d9t h SER 36 N 0.31 0.04 0.33 9.88 0.87 -1.99 -3.32 113.55 119.69 2d9t h SER 36 Ca -0.47 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 59.86 2d9t h SER 36 Cb 1.21 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2d9t h SER 36 CO 0.61 0.24 -0.16 0.28 -0.53 0.00 0.00 176.83 177.27 2d9t h SER 37 N -0.15 -0.38 0.00 6.23 0.02 -1.95 -3.48 113.55 113.84 2d9t h SER 37 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2d9t h SER 37 Cb 0.21 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2d9t h SER 37 CO -0.00 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 2d9t n GLY 38 N -1.08 0.95 0.44 -3.77 0.00 -1.25 -4.98 105.19 95.49 2d9t n GLY 38 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2d9t n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d9t n MET 39 N 0.00 0.27 -4.51 1.61 2.81 -1.26 -4.91 117.12 111.13 2d9t n MET 39 Ca 0.00 0.10 -0.24 0.00 -1.81 0.00 0.00 57.70 55.75 2d9t n MET 39 Cb 0.00 -1.03 -0.11 0.00 -0.71 0.00 0.00 33.22 31.37 2d9t n MET 39 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2d9t s THR 40 N -2.23 1.65 -0.14 2.03 -4.23 -1.26 -2.48 115.64 108.98 2d9t s THR 40 Ca -0.17 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 58.12 2d9t s THR 40 Cb 0.06 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2d9t s THR 40 CO 0.23 -0.09 0.46 0.00 -0.54 0.00 0.00 174.62 174.69 2d9t s ALA 41 N -2.98 -1.15 -0.31 3.99 0.00 -0.47 -2.85 121.76 117.99 2d9t s ALA 41 Ca 0.34 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 2d9t s ALA 41 Cb 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2d9t s ALA 41 CO 0.16 -0.24 1.20 0.08 0.00 0.00 0.00 175.76 176.96 2d9t s VAL 42 N -0.11 4.29 -0.02 0.00 1.01 0.92 -2.76 120.40 123.74 2d9t s VAL 42 Ca -0.03 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.48 2d9t s VAL 42 Cb -0.03 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2d9t s VAL 42 CO 0.02 -0.48 -0.18 0.68 0.00 0.00 0.00 175.10 175.14 2d9t s VAL 43 N 4.05 2.79 -0.18 2.92 -7.23 -0.96 0.10 120.40 121.90 2d9t s VAL 43 Ca 0.52 -0.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 2d9t s VAL 43 Cb -0.15 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2d9t s VAL 43 CO 0.20 0.51 0.06 -0.75 -0.31 0.00 0.00 175.10 174.82 2d9t s LYS 44 N -0.93 3.93 -0.30 4.82 2.20 -0.59 -1.47 119.74 127.41 2d9t s LYS 44 Ca 0.12 -0.34 -0.21 0.00 -0.36 0.00 0.00 55.97 55.18 2d9t s LYS 44 Cb -0.10 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2d9t s LYS 44 CO 0.02 0.31 0.68 -0.06 -0.36 0.00 0.00 175.35 175.93 2d9t s PHE 45 N 0.27 3.22 0.39 4.03 0.08 -1.04 -0.05 117.98 124.88 2d9t s PHE 45 Ca 0.04 0.69 0.06 0.00 0.12 0.00 0.00 56.93 57.84 2d9t s PHE 45 Cb -0.12 -3.03 0.78 0.00 -0.57 0.00 0.00 43.02 40.08 2d9t s PHE 45 CO 0.00 -0.48 2.02 0.00 -0.10 0.00 0.00 175.22 176.67 2d9t h THR 46 N 5.54 1.10 -0.83 0.64 1.03 -1.90 0.92 112.91 119.40 2d9t h THR 46 Ca -0.26 -0.23 0.15 0.00 -0.01 0.00 0.00 66.41 66.06 2d9t h THR 46 Cb 1.11 0.36 -0.15 0.00 -1.07 0.00 0.00 68.15 68.41 2d9t h THR 46 CO 0.82 0.12 -0.25 0.47 -0.01 0.00 0.00 175.52 176.68 2d9t n ASP 47 N -4.46 -0.38 0.00 0.00 9.92 -1.26 -3.94 116.55 116.42 2d9t n ASP 47 Ca 0.06 1.44 0.00 0.00 -0.53 0.00 0.00 54.79 55.76 2d9t n ASP 47 Cb 0.10 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 2d9t n ASP 47 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2d9t n TYR 48 N -5.32 0.00 0.00 1.24 4.02 -1.09 -5.07 117.16 110.94 2d9t n TYR 48 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 2d9t n TYR 48 Cb 0.39 0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2d9t n TYR 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2d9t n GLY 49 N 2.50 1.11 3.62 2.72 0.00 0.32 -5.05 105.19 110.41 2d9t n GLY 49 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2d9t n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9t s ASN 50 N -2.00 5.01 0.30 1.61 4.22 -1.23 -4.83 114.94 118.02 2d9t s ASN 50 Ca 0.00 0.05 -0.28 0.00 -2.14 0.00 0.00 52.86 50.49 2d9t s ASN 50 Cb 0.00 -1.46 -0.09 0.00 1.28 0.00 0.00 41.25 40.97 2d9t s ASN 50 CO 0.00 0.33 0.98 -0.31 -2.04 0.00 0.00 177.10 176.06 2d9t s TYR 51 N -0.60 3.71 -0.09 1.54 2.02 -1.26 -2.49 117.35 120.17 2d9t s TYR 51 Ca 0.10 1.79 -0.05 0.00 -0.37 0.00 0.00 57.07 58.54 2d9t s TYR 51 Cb -0.12 -3.03 0.04 0.00 -0.40 0.00 0.00 41.96 38.45 2d9t s TYR 51 CO 0.02 0.04 0.22 -1.21 -1.57 0.00 0.00 175.55 173.06 2d9t s GLU 52 N -1.74 0.19 -0.73 -0.62 0.41 -0.54 -4.99 118.70 110.67 2d9t s GLU 52 Ca 0.47 0.47 -0.27 0.00 -0.41 0.00 0.00 54.97 55.24 2d9t s GLU 52 Cb -0.24 -0.11 0.03 0.00 -1.78 0.00 0.00 34.13 32.04 2d9t s GLU 52 CO 0.30 -0.15 1.27 -2.00 -0.49 0.00 0.00 175.26 174.19 2d9t s GLU 53 N 1.12 3.20 0.12 1.61 2.12 -1.26 -2.27 118.70 123.33 2d9t s GLU 53 Ca -0.08 -0.23 0.10 0.00 0.36 0.00 0.00 54.97 55.12 2d9t s GLU 53 Cb -0.10 -4.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.08 2d9t s GLU 53 CO -0.07 -2.13 -0.23 0.08 -0.54 0.00 0.00 175.26 172.37 2d9t s VAL 54 N 5.70 2.51 0.50 3.70 1.01 -1.11 -4.94 120.40 127.76 2d9t s VAL 54 Ca 0.35 -1.61 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 2d9t s VAL 54 Cb -0.08 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 2d9t s VAL 54 CO 0.15 0.12 1.17 -0.76 0.00 0.00 0.00 175.10 175.79 2d9t s LEU 55 N -2.01 3.90 0.44 3.92 1.43 -1.26 -1.37 118.68 123.73 2d9t s LEU 55 Ca 0.15 2.32 0.17 0.00 -1.03 0.00 0.00 54.13 55.74 2d9t s LEU 55 Cb -0.10 -4.36 1.00 0.00 0.03 0.00 0.00 46.19 42.75 2d9t s LEU 55 CO 0.07 -1.10 1.94 -0.07 0.23 0.00 0.00 176.35 177.42 2d9t h LEU 56 N 1.68 0.00 -0.17 1.79 3.38 -1.80 -1.54 115.31 118.65 2d9t h LEU 56 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2d9t h LEU 56 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2d9t h LEU 56 CO 0.59 0.24 0.00 -1.20 0.09 0.00 0.00 178.44 178.16 2d9t n SER 57 N -4.04 0.30 -1.62 -0.43 7.64 -1.26 -2.59 113.62 111.61 2d9t n SER 57 Ca -0.02 0.55 -0.06 0.00 1.01 0.00 0.00 58.87 60.36 2d9t n SER 57 Cb 0.31 -0.62 0.25 0.00 -1.01 0.00 0.00 64.21 63.14 2d9t n SER 57 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2d9t n ASN 58 N -1.80 3.90 -4.32 6.43 3.02 -0.58 -4.95 115.26 116.95 2d9t n ASN 58 Ca 0.04 -3.39 -0.31 0.00 -0.03 0.00 0.00 54.58 50.90 2d9t n ASN 58 Cb 0.27 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 38.58 2d9t n ASN 58 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2d9t s ILE 59 N -3.08 2.09 -0.02 2.41 1.01 -1.07 -3.24 121.20 119.30 2d9t s ILE 59 Ca 0.51 -1.22 0.06 0.00 0.00 0.00 0.00 60.65 60.00 2d9t s ILE 59 Cb 0.42 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 2d9t s ILE 59 CO 0.09 0.50 -0.20 -0.54 0.00 0.00 0.00 174.94 174.78 2d9t s LYS 60 N -0.85 1.72 -0.18 2.79 -0.14 -0.60 -4.93 119.74 117.54 2d9t s LYS 60 Ca 0.11 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.70 2d9t s LYS 60 Cb -0.10 -1.62 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 2d9t s LYS 60 CO 0.00 0.41 1.59 -1.25 -0.76 0.00 0.00 175.35 175.34 2d9t s PRO 61 N -0.40 3.92 0.30 -1.68 0.04 -1.26 -0.62 135.00 135.29 2d9t s PRO 61 Ca 0.06 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2d9t s PRO 61 Cb -0.09 -4.00 -0.12 0.00 0.04 0.00 0.00 34.50 30.34 2d9t s PRO 61 CO -0.00 -1.15 1.52 0.28 0.04 0.00 0.00 177.00 177.70 2d9t n VAL 62 N 6.12 1.19 -0.84 -0.36 0.31 -1.24 -4.93 118.33 118.58 2d9t n VAL 62 Ca 0.18 -0.30 -0.34 0.00 -0.01 0.00 0.00 64.34 63.87 2d9t n VAL 62 Cb 0.45 -1.84 0.10 0.00 -0.91 0.00 0.00 33.84 31.64 2d9t n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d9t n GLN 63 N 1.82 -0.57 -3.37 5.55 1.13 -1.26 -4.90 117.38 115.77 2d9t n GLN 63 Ca 0.08 -0.15 -0.46 0.00 -1.94 0.00 0.00 57.00 54.54 2d9t n GLN 63 Cb 0.36 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.19 2d9t n GLN 63 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2d9t s THR 64 N -2.19 5.28 -0.30 5.09 -4.23 -1.26 -4.87 115.64 113.16 2d9t s THR 64 Ca 0.49 -2.26 0.09 0.00 -1.18 0.00 0.00 61.69 58.84 2d9t s THR 64 Cb -0.12 -4.31 0.46 0.00 1.34 0.00 0.00 72.50 69.87 2d9t s THR 64 CO 0.70 -0.97 1.16 -0.62 -0.54 0.00 0.00 174.62 174.36 2d9t n GLU 65 N 4.27 3.26 -1.19 3.99 -0.58 -1.26 -4.86 120.64 124.27 2d9t n GLU 65 Ca 0.06 -4.09 -0.21 0.00 -0.42 0.00 0.00 57.16 52.50 2d9t n GLU 65 Cb 0.44 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.13 2d9t n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d9t n ALA 66 N -0.65 5.87 -0.44 0.62 0.00 -1.26 -4.97 120.51 119.68 2d9t n ALA 66 Ca 0.37 -2.32 -0.28 0.00 0.00 0.00 0.00 53.44 51.20 2d9t n ALA 66 Cb 0.91 -1.83 0.24 0.00 0.00 0.00 0.00 19.45 18.77 2d9t n ALA 66 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2d9t n TRP 67 N 0.83 -2.27 -3.10 0.00 7.02 -1.26 -4.99 117.44 113.67 2d9t n TRP 67 Ca 0.40 -0.30 -0.23 0.00 -1.02 0.00 0.00 57.50 56.35 2d9t n TRP 67 Cb 0.59 -1.51 -0.04 0.00 -2.42 0.00 0.00 31.31 27.93 2d9t n TRP 67 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2d9t n VAL 68 N -5.11 1.38 -4.56 -0.99 0.31 -1.26 -5.08 118.33 103.02 2d9t n VAL 68 Ca 0.06 -5.02 -0.26 0.00 -0.01 0.00 0.00 64.34 59.10 2d9t n VAL 68 Cb 0.55 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.36 2d9t n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2d9t s ARG 69 N -2.79 1.83 0.01 5.55 1.81 -1.26 -5.15 118.95 118.95 2d9t s ARG 69 Ca 0.43 -1.99 0.07 0.00 -1.72 0.00 0.00 55.73 52.52 2d9t s ARG 69 Cb 0.29 -1.55 -0.03 0.00 -0.45 0.00 0.00 34.95 33.21 2d9t s ARG 69 CO -0.10 0.02 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.83 2d9t s ASP 70 N -3.62 3.62 0.46 0.23 1.01 -1.26 -5.02 116.67 112.09 2d9t s ASP 70 Ca 0.34 -0.41 0.31 0.00 0.71 0.00 0.00 52.55 53.49 2d9t s ASP 70 Cb 0.06 -0.56 1.28 0.00 1.01 0.00 0.00 42.92 44.71 2d9t s ASP 70 CO 0.17 0.29 1.91 1.55 0.21 0.00 0.00 175.17 179.29 2d9t h PRO 71 N 4.91 0.00 -4.86 8.23 0.13 -2.06 -3.44 132.00 134.92 2d9t h PRO 71 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 2d9t h PRO 71 Cb 1.15 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 2d9t h PRO 71 CO 0.47 0.00 1.91 -1.71 -0.23 0.00 0.00 178.00 178.44 2d9t n ASN 72 N -2.81 -0.99 -3.71 1.44 5.15 -1.26 -4.81 115.26 108.27 2d9t n ASN 72 Ca 0.01 -0.35 -0.12 0.00 -0.60 0.00 0.00 54.58 53.52 2d9t n ASN 72 Cb 0.27 -0.61 -0.10 0.00 -0.53 0.00 0.00 39.78 38.81 2d9t n ASN 72 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2d9t s SER 73 N 2.28 -0.48 0.00 1.20 0.15 -1.26 -5.05 113.70 110.54 2d9t s SER 73 Ca 1.29 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.82 2d9t s SER 73 Cb -0.93 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2d9t s SER 73 CO 0.53 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2d9t n GLY 74 N 3.44 -0.04 3.57 9.45 0.00 -1.26 -5.00 105.19 115.36 2d9t n GLY 74 Ca -0.17 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2d9t n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9t s PRO 75 N -0.53 3.00 0.64 1.61 0.04 -1.26 -4.99 135.00 133.52 2d9t s PRO 75 Ca 0.00 0.95 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 2d9t s PRO 75 Cb 0.00 -4.28 0.01 0.00 0.04 0.00 0.00 34.50 30.27 2d9t s PRO 75 CO 0.00 -2.27 1.00 -1.54 0.04 0.00 0.00 177.00 174.22 2d9t s SER 76 N 6.87 5.57 -0.17 6.66 1.04 -1.26 -5.05 113.70 127.36 2d9t s SER 76 Ca 0.71 0.95 -0.17 0.00 0.48 0.00 0.00 55.95 57.92 2d9t s SER 76 Cb -0.16 -1.86 -0.06 0.00 0.10 0.00 0.00 66.02 64.04 2d9t s SER 76 CO 0.27 -1.18 -0.33 -1.20 0.98 0.00 0.00 173.24 171.78 2d9t n SER 77 N -2.79 1.83 0.00 7.02 7.64 -1.26 -5.30 113.62 120.77 2d9t n SER 77 Ca 0.06 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2d9t n SER 77 Cb 0.57 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2d9t n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64