#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrt s SER 2 N 0.00 0.28 -0.24 1.61 1.04 -1.26 -5.15 113.70 109.99 2yrt s SER 2 Ca 0.00 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 2yrt s SER 2 Cb 0.00 0.28 0.12 0.00 0.10 0.00 0.00 66.02 66.52 2yrt s SER 2 CO 0.00 -0.68 0.43 -0.44 0.98 0.00 0.00 173.24 173.53 2yrt s SER 3 N -2.90 -0.16 0.00 7.02 0.01 -1.26 -5.16 113.70 111.25 2yrt s SER 3 Ca 0.07 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2yrt s SER 3 Cb 0.06 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.65 2yrt s SER 3 CO -0.10 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2yrt n GLY 4 N 5.38 5.66 3.10 3.44 0.00 -1.26 -5.17 105.19 116.34 2yrt n GLY 4 Ca -0.05 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2yrt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrt s SER 5 N 0.55 0.26 0.53 1.61 1.04 -1.26 -5.18 113.70 111.24 2yrt s SER 5 Ca 0.00 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.80 2yrt s SER 5 Cb 0.00 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.35 2yrt s SER 5 CO 0.00 -0.53 0.14 -0.44 0.98 0.00 0.00 173.24 173.39 2yrt s SER 6 N -2.32 4.31 0.00 7.02 0.01 -1.26 -5.06 113.70 116.40 2yrt s SER 6 Ca -0.02 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.71 2yrt s SER 6 Cb 0.01 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2yrt s SER 6 CO -0.06 -0.96 0.20 0.61 0.41 0.00 0.00 173.24 173.45 2yrt n GLY 7 N -1.44 -0.09 1.07 3.44 0.00 -1.26 -4.97 105.19 101.94 2yrt n GLY 7 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2yrt n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2yrt n MET 8 N 0.00 3.03 -2.70 1.61 -0.00 -1.26 -4.89 117.12 112.91 2yrt n MET 8 Ca -0.05 -2.49 -0.42 0.00 -0.00 0.00 0.00 57.70 54.75 2yrt n MET 8 Cb 0.28 -1.55 -0.03 0.00 -0.00 0.00 0.00 33.22 31.92 2yrt n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yrt s ALA 9 N -1.37 2.93 0.22 3.17 0.00 -1.26 -3.99 121.76 121.46 2yrt s ALA 9 Ca 0.38 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 2yrt s ALA 9 Cb 0.23 -4.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 2yrt s ALA 9 CO 0.22 -3.10 0.97 -0.51 0.00 0.00 0.00 175.76 173.34 2yrt s LEU 10 N 4.79 4.61 -0.11 0.00 1.43 0.13 -4.65 118.68 124.87 2yrt s LEU 10 Ca 0.31 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 2yrt s LEU 10 Cb -0.11 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2yrt s LEU 10 CO 0.09 0.07 1.02 -0.22 0.23 0.00 0.00 176.35 177.55 2yrt s LEU 11 N -0.94 4.24 0.27 1.79 2.96 -1.26 -0.65 118.68 125.08 2yrt s LEU 11 Ca 0.43 1.54 -0.29 0.00 -0.22 0.00 0.00 54.13 55.59 2yrt s LEU 11 Cb -0.26 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.78 2yrt s LEU 11 CO 0.33 -0.47 1.01 0.00 -1.32 0.00 0.00 176.35 175.89 2yrt n TYR 13 N 1.19 0.87 -3.83 0.00 4.01 0.20 -3.76 117.16 115.85 2yrt n TYR 13 Ca -0.01 -1.70 -0.36 0.00 -0.16 0.00 0.00 57.90 55.67 2yrt n TYR 13 Cb 0.47 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 39.12 2yrt n TYR 13 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2yrt s ASN 14 N -3.32 5.71 -0.19 7.72 0.01 -1.26 -4.88 114.94 118.73 2yrt s ASN 14 Ca 0.42 0.03 -0.40 0.00 -0.71 0.00 0.00 52.86 52.20 2yrt s ASN 14 Cb 0.38 -2.01 -0.17 0.00 0.41 0.00 0.00 41.25 39.86 2yrt s ASN 14 CO -0.04 0.09 1.55 0.54 -1.51 0.00 0.00 177.10 177.73 2yrt n ARG 15 N 4.12 0.87 0.00 -0.60 1.74 -1.26 -0.15 116.66 121.38 2yrt n ARG 15 Ca -0.16 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2yrt n ARG 15 Cb 0.52 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2yrt n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yrt n GLY 16 N 3.47 3.18 0.25 -0.13 0.00 -1.26 0.30 105.19 111.00 2yrt n GLY 16 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2yrt n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrt n GLY 18 N 2.14 0.65 3.76 0.00 0.00 -1.11 -4.88 105.19 105.74 2yrt n GLY 18 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2yrt n GLY 18 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yrt s GLN 19 N -2.43 2.48 0.99 1.61 -0.21 -1.26 -4.73 119.66 116.12 2yrt s GLN 19 Ca 0.00 -1.46 -0.14 0.00 0.02 0.00 0.00 55.36 53.79 2yrt s GLN 19 Cb 0.00 -2.27 0.18 0.00 1.00 0.00 0.00 33.01 31.93 2yrt s GLN 19 CO 0.00 0.13 1.14 1.03 -2.12 0.00 0.00 175.29 175.47 2yrt s ARG 20 N -3.87 0.49 0.01 2.91 1.81 -1.26 -0.42 118.95 118.62 2yrt s ARG 20 Ca 0.38 0.23 -0.29 0.00 -1.72 0.00 0.00 55.73 54.33 2yrt s ARG 20 Cb -0.04 -1.77 0.10 0.00 -0.45 0.00 0.00 34.95 32.79 2yrt s ARG 20 CO 0.24 -2.62 1.06 -0.59 -0.68 0.00 0.00 175.30 172.70 2yrt s PHE 21 N -3.20 -0.16 -0.17 -0.53 -0.71 0.17 -4.75 117.98 108.63 2yrt s PHE 21 Ca 0.66 -0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 56.50 2yrt s PHE 21 Cb -0.14 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2yrt s PHE 21 CO 0.55 -0.52 -0.01 -0.51 -1.34 0.00 0.00 175.22 173.39 2yrt s ASP 22 N -2.71 4.91 0.08 1.98 1.11 -1.26 0.20 116.67 120.98 2yrt s ASP 22 Ca 0.10 -0.13 -0.17 0.00 0.18 0.00 0.00 52.55 52.54 2yrt s ASP 22 Cb 0.00 -1.82 -0.10 0.00 1.07 0.00 0.00 42.92 42.07 2yrt s ASP 22 CO -0.03 0.14 1.40 1.55 1.18 0.00 0.00 175.17 179.40 2yrt h PRO 23 N 6.96 0.59 0.00 8.23 0.13 -1.92 1.79 132.00 147.77 2yrt h PRO 23 Ca -0.33 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2yrt h PRO 23 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yrt h PRO 23 CO 0.63 0.90 0.00 -0.85 -0.23 0.00 0.00 178.00 178.46 2yrt n GLU 24 N -4.36 0.05 0.00 0.86 0.28 -1.26 -2.00 120.64 114.22 2yrt n GLU 24 Ca -0.05 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 2yrt n GLU 24 Cb 0.43 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.64 2yrt n GLU 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2yrt n THR 25 N -1.77 0.00 -1.66 3.84 -2.24 -1.08 -5.05 114.28 106.31 2yrt n THR 25 Ca -0.00 -0.01 -0.46 0.00 -2.27 0.00 0.00 64.05 61.31 2yrt n THR 25 Cb 0.02 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 2yrt n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2yrt n ASN 26 N -1.10 2.79 -1.24 3.42 5.15 0.61 -4.97 115.26 119.91 2yrt n ASN 26 Ca 0.00 1.11 -0.00 0.00 -0.60 0.00 0.00 54.58 55.09 2yrt n ASN 26 Cb 0.00 -1.40 -0.00 0.00 -0.53 0.00 0.00 39.78 37.85 2yrt n ASN 26 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2yrt n SER 27 N 2.78 0.45 -0.09 1.20 2.88 -1.26 -4.94 113.62 114.65 2yrt n SER 27 Ca 0.15 -1.01 0.15 0.00 -1.33 0.00 0.00 58.87 56.83 2yrt n SER 27 Cb 0.29 0.01 0.81 0.00 -0.75 0.00 0.00 64.21 64.57 2yrt n SER 27 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yrt n ASP 28 N -2.54 0.28 -1.57 -3.46 -0.08 -1.26 -2.47 116.55 105.46 2yrt n ASP 28 Ca 0.00 -0.89 0.02 0.00 -1.51 0.00 0.00 54.79 52.41 2yrt n ASP 28 Cb 0.00 -0.05 0.06 0.00 2.34 0.00 0.00 41.12 43.48 2yrt n ASP 28 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2yrt n ASP 29 N -0.86 1.43 -0.00 1.67 5.75 -1.23 -0.59 116.55 122.72 2yrt n ASP 29 Ca 0.21 -2.46 0.01 0.00 -0.01 0.00 0.00 54.79 52.54 2yrt n ASP 29 Cb 0.19 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 2yrt n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yrt n ALA 30 N -0.05 2.31 -3.48 2.12 0.00 -1.16 -4.89 120.51 115.37 2yrt n ALA 30 Ca 0.11 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 2yrt n ALA 30 Cb 1.00 -0.11 -0.16 0.00 0.00 0.00 0.00 19.45 20.18 2yrt n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yrt s THR 32 N 0.79 3.31 0.29 0.00 2.01 -1.26 -1.07 115.64 119.71 2yrt s THR 32 Ca -0.06 -2.43 0.01 0.00 0.31 0.00 0.00 61.69 59.52 2yrt s THR 32 Cb -0.15 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 2yrt s THR 32 CO -0.00 -0.75 0.03 0.00 -0.69 0.00 0.00 174.62 173.21 2yrt n TYR 33 N 4.15 0.50 -3.99 4.92 4.11 -1.17 -3.42 117.16 122.26 2yrt n TYR 33 Ca 0.02 -1.54 -0.33 0.00 -0.00 0.00 0.00 57.90 56.04 2yrt n TYR 33 Cb 0.40 -0.14 -0.14 0.00 -0.00 0.00 0.00 39.34 39.46 2yrt n TYR 33 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2yrt s HIS 34 N -2.23 3.31 -2.00 -3.48 3.76 0.15 -2.17 115.29 112.63 2yrt s HIS 34 Ca 0.04 -2.19 0.12 0.00 -0.15 0.00 0.00 55.06 52.88 2yrt s HIS 34 Cb 0.00 -2.11 0.71 0.00 1.11 0.00 0.00 32.58 32.28 2yrt s HIS 34 CO 0.03 -0.86 1.14 -0.35 -0.85 0.00 0.00 174.74 173.85 2yrt n PRO 35 N 4.50 0.49 0.00 8.40 -0.04 -1.26 -4.60 135.00 142.49 2yrt n PRO 35 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2yrt n PRO 35 Cb 0.43 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2yrt n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yrt n GLY 36 N -0.02 2.15 3.10 0.55 0.00 -1.26 -4.96 105.19 104.75 2yrt n GLY 36 Ca 0.09 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 2yrt n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yrt s VAL 37 N 2.93 0.50 -0.17 1.61 -7.23 -1.26 -4.91 120.40 111.88 2yrt s VAL 37 Ca 0.00 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 2yrt s VAL 37 Cb 0.00 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2yrt s VAL 37 CO 0.00 -0.67 1.57 -2.16 -0.31 0.00 0.00 175.10 173.53 2yrt s PRO 38 N -2.74 3.97 0.18 4.82 0.04 -1.26 -2.42 135.00 137.60 2yrt s PRO 38 Ca -0.00 1.81 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2yrt s PRO 38 Cb -0.02 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 2yrt s PRO 38 CO -0.03 -1.08 -0.15 0.54 0.04 0.00 0.00 177.00 176.33 2yrt s VAL 39 N 4.60 2.91 -0.33 -0.36 0.11 0.72 -4.97 120.40 123.08 2yrt s VAL 39 Ca 0.69 -1.77 -0.01 0.00 -2.93 0.00 0.00 61.98 57.95 2yrt s VAL 39 Cb -0.27 -2.42 0.12 0.00 -1.53 0.00 0.00 36.38 32.28 2yrt s VAL 39 CO 0.27 -0.10 0.16 -0.36 -3.33 0.00 0.00 175.10 171.73 2yrt s PHE 40 N -1.68 0.97 -0.09 1.54 0.08 -1.26 -0.40 117.98 117.14 2yrt s PHE 40 Ca 0.23 -1.48 0.04 0.00 0.12 0.00 0.00 56.93 55.84 2yrt s PHE 40 Cb -0.09 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 2yrt s PHE 40 CO 0.13 -0.84 -0.21 -3.38 -0.10 0.00 0.00 175.22 170.83 2yrt s HIS 41 N 1.48 2.24 -1.48 0.36 -3.43 -0.85 -4.72 115.29 108.89 2yrt s HIS 41 Ca 0.13 -0.88 -0.11 0.00 -0.80 0.00 0.00 55.06 53.40 2yrt s HIS 41 Cb -0.19 -1.52 0.07 0.00 -1.43 0.00 0.00 32.58 29.50 2yrt s HIS 41 CO -0.19 -0.36 0.95 -0.25 -2.00 0.00 0.00 174.74 172.88 2yrt n ASP 42 N 3.55 -4.25 0.00 7.38 8.00 -1.26 0.40 116.55 130.37 2yrt n ASP 42 Ca -0.20 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2yrt n ASP 42 Cb 0.53 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 2yrt n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yrt n ALA 43 N -4.64 0.00 -3.30 2.24 0.00 -1.26 -4.94 120.51 108.62 2yrt n ALA 43 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.96 2yrt n ALA 43 Cb 0.55 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 2yrt n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yrt s LEU 44 N 0.00 6.18 -0.29 0.00 1.43 0.16 -4.04 118.68 122.12 2yrt s LEU 44 Ca 0.00 -1.83 -0.25 0.00 -1.03 0.00 0.00 54.13 51.02 2yrt s LEU 44 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2yrt s LEU 44 CO 0.00 -0.86 0.86 -0.54 0.23 0.00 0.00 176.35 176.05 2yrt s LYS 45 N 1.57 4.04 0.00 1.70 1.02 0.70 -2.01 119.74 126.76 2yrt s LYS 45 Ca 0.05 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.82 2yrt s LYS 45 Cb -0.28 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2yrt s LYS 45 CO 0.02 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 2yrt n GLY 46 N 4.01 4.62 3.07 -3.33 0.00 0.46 -2.68 105.19 111.34 2yrt n GLY 46 Ca 0.06 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2yrt n GLY 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yrt s TRP 47 N 0.07 0.70 -1.79 1.61 0.52 -1.26 -0.20 118.94 118.59 2yrt s TRP 47 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 56.10 55.62 2yrt s TRP 47 Cb 0.00 -0.42 0.00 0.00 -1.15 0.00 0.00 33.47 31.90 2yrt s TRP 47 CO 0.00 -0.07 0.89 0.45 0.02 0.00 0.00 176.95 178.24 2yrt n SER 48 N 1.46 0.21 -0.13 2.95 2.88 -1.02 -3.57 113.62 116.39 2yrt n SER 48 Ca -0.23 -1.99 -0.28 0.00 -1.33 0.00 0.00 58.87 55.04 2yrt n SER 48 Cb 0.55 -0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 2yrt n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yrt h LYS 51 N 0.93 0.00 -6.06 0.00 1.57 -1.97 -3.42 116.57 107.62 2yrt h LYS 51 Ca -0.39 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 57.62 2yrt h LYS 51 Cb 1.32 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.68 2yrt h LYS 51 CO 0.63 0.05 0.14 -2.13 -0.57 0.00 0.00 179.45 177.57 2yrt n ARG 52 N -2.73 0.25 -3.77 3.15 3.00 -1.26 -4.96 116.66 110.34 2yrt n ARG 52 Ca -0.01 0.09 -0.13 0.00 -0.00 0.00 0.00 57.85 57.80 2yrt n ARG 52 Cb 0.60 -1.62 -0.12 0.00 0.00 0.00 0.00 32.46 31.32 2yrt n ARG 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2yrt s ARG 53 N 0.09 0.27 -0.05 -0.14 6.06 -1.26 -4.13 118.95 119.78 2yrt s ARG 53 Ca 0.89 0.41 -0.12 0.00 -2.50 0.00 0.00 55.73 54.41 2yrt s ARG 53 Cb -1.20 0.06 0.02 0.00 0.06 0.00 0.00 34.95 33.89 2yrt s ARG 53 CO 0.55 -0.08 0.28 -0.08 -2.50 0.00 0.00 175.30 173.47 2yrt s THR 54 N 0.50 0.04 -0.09 4.11 -1.32 -1.09 -4.97 115.64 112.81 2yrt s THR 54 Ca -0.03 -0.33 0.15 0.00 -1.21 0.00 0.00 61.69 60.28 2yrt s THR 54 Cb -0.04 -0.52 -0.17 0.00 -1.51 0.00 0.00 72.50 70.26 2yrt s THR 54 CO -0.03 -0.18 0.76 0.35 -2.21 0.00 0.00 174.62 173.31 2yrt n THR 55 N 1.91 1.34 -2.15 5.08 -2.24 -1.26 -0.21 114.28 116.75 2yrt n THR 55 Ca -0.18 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 2yrt n THR 55 Cb 0.57 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 2yrt n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yrt s ASP 56 N -5.88 5.74 0.45 3.42 2.15 -1.26 -4.77 116.67 116.51 2yrt s ASP 56 Ca -0.04 0.59 0.32 0.00 0.43 0.00 0.00 52.55 53.86 2yrt s ASP 56 Cb 0.08 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.65 2yrt s ASP 56 CO 0.82 -1.96 1.60 0.15 -0.17 0.00 0.00 175.17 175.60 2yrt h PHE 57 N 13.05 0.48 -0.51 -5.34 3.04 -1.95 1.37 116.94 127.08 2yrt h PHE 57 Ca -0.28 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.58 2yrt h PHE 57 Cb 1.14 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 2yrt h PHE 57 CO 1.02 -0.23 -0.10 0.77 -2.02 0.00 0.00 178.31 177.74 2yrt h SER 58 N 0.04 0.97 -0.40 0.41 0.02 -1.98 -3.07 113.55 109.55 2yrt h SER 58 Ca 0.86 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 61.34 2yrt h SER 58 Cb 2.77 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 65.04 2yrt h SER 58 CO -0.42 1.10 -0.19 0.44 -1.14 0.00 0.00 176.83 176.63 2yrt h ASP 59 N 0.83 0.85 -0.92 3.07 5.19 0.14 -2.87 116.42 122.71 2yrt h ASP 59 Ca 0.13 -0.40 0.19 0.00 -0.62 0.00 0.00 57.03 56.33 2yrt h ASP 59 Cb 0.66 -0.24 -0.07 0.00 0.18 0.00 0.00 39.33 39.86 2yrt h ASP 59 CO 0.05 1.07 0.60 0.15 -3.12 0.00 0.00 179.24 177.98 2yrt h PHE 60 N 0.64 0.70 0.00 4.55 3.57 -1.13 0.59 116.94 125.85 2yrt h PHE 60 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2yrt h PHE 60 Cb 0.74 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2yrt h PHE 60 CO 0.06 0.20 0.00 -0.07 -2.23 0.00 0.00 178.31 176.26 2yrt h LEU 61 N 0.54 0.00 0.02 0.59 3.38 -1.43 -3.22 115.31 115.18 2yrt h LEU 61 Ca 0.49 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.19 2yrt h LEU 61 Cb 1.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2yrt h LEU 61 CO -0.22 0.00 -1.46 -1.28 0.09 0.00 0.00 178.44 175.56 2yrt h SER 62 N 0.00 0.05 0.00 -0.43 0.87 0.25 -3.47 113.55 110.82 2yrt h SER 62 Ca 0.00 -0.08 -0.37 0.00 -1.23 0.00 0.00 61.79 60.11 2yrt h SER 62 Cb 0.90 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.79 2yrt h SER 62 CO 0.00 1.07 1.20 -0.38 -0.53 0.00 0.00 176.83 178.20 2yrt n ILE 63 N -3.20 0.00 -1.75 2.23 5.41 0.33 -4.77 119.36 117.61 2yrt n ILE 63 Ca -0.12 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.22 2yrt n ILE 63 Cb 1.01 -0.35 -0.00 0.00 -0.71 0.00 0.00 39.64 39.59 2yrt n ILE 63 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2yrt n VAL 64 N 5.19 1.86 -1.49 1.39 3.14 -1.26 -4.89 118.33 122.27 2yrt n VAL 64 Ca 0.46 -0.46 -0.43 0.00 -2.96 0.00 0.00 64.34 60.94 2yrt n VAL 64 Cb 0.02 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 30.91 2yrt n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2yrt n GLY 65 N 0.75 -1.14 0.01 7.55 0.00 -1.22 -4.90 105.19 106.24 2yrt n GLY 65 Ca 0.03 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2yrt n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrt s THR 67 N -3.21 3.49 0.01 0.00 2.01 -0.92 -5.02 115.64 112.00 2yrt s THR 67 Ca 0.02 -1.52 0.05 0.00 0.31 0.00 0.00 61.69 60.55 2yrt s THR 67 Cb 0.15 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2yrt s THR 67 CO 0.87 -0.22 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.88 2yrt s LYS 68 N -3.90 1.26 0.00 4.92 -0.14 -1.26 -3.02 119.74 117.60 2yrt s LYS 68 Ca 0.38 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.30 2yrt s LYS 68 Cb -0.05 -1.26 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 2yrt s LYS 68 CO 0.25 0.34 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 2yrt n GLY 69 N 2.35 1.01 3.61 -3.33 0.00 0.25 -4.76 105.19 104.30 2yrt n GLY 69 Ca -0.16 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2yrt n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yrt s ARG 70 N 1.54 3.94 0.30 1.61 0.52 -1.03 -1.02 118.95 124.79 2yrt s ARG 70 Ca 0.00 -0.36 -0.27 0.00 -0.52 0.00 0.00 55.73 54.58 2yrt s ARG 70 Cb 0.00 -3.26 -0.14 0.00 0.52 0.00 0.00 34.95 32.06 2yrt s ARG 70 CO 0.00 0.18 0.84 0.72 0.02 0.00 0.00 175.30 177.06 2yrt n HIS 71 N 3.82 0.65 -3.31 -0.53 8.25 -1.26 -4.91 115.22 117.93 2yrt n HIS 71 Ca -0.16 0.74 -0.43 0.00 -0.26 0.00 0.00 57.72 57.60 2yrt n HIS 71 Cb 0.52 -2.15 -0.08 0.00 1.12 0.00 0.00 29.99 29.40 2yrt n HIS 71 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2yrt s ASN 72 N -0.72 6.19 -0.02 0.41 -0.87 -1.26 -4.91 114.94 113.76 2yrt s ASN 72 Ca 0.61 -0.80 0.03 0.00 -1.57 0.00 0.00 52.86 51.12 2yrt s ASN 72 Cb -0.73 -2.23 0.12 0.00 -0.02 0.00 0.00 41.25 38.40 2yrt s ASN 72 CO 0.59 -0.64 0.85 -1.54 -2.57 0.00 0.00 177.10 173.79 2yrt n SER 73 N 5.63 1.34 -3.89 -1.22 3.41 -1.26 0.59 113.62 118.23 2yrt n SER 73 Ca -0.08 -2.09 -0.17 0.00 -0.26 0.00 0.00 58.87 56.27 2yrt n SER 73 Cb 0.47 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.90 2yrt n SER 73 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2yrt s GLU 74 N -1.50 0.48 0.00 4.33 2.02 -1.26 -4.89 118.70 117.87 2yrt s GLU 74 Ca 0.09 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2yrt s GLU 74 Cb 0.06 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.75 2yrt s GLU 74 CO 0.04 -0.03 0.48 1.63 0.02 0.00 0.00 175.26 177.40