#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x69 h SER 2 N 0.00 -1.86 -2.75 1.61 0.02 -2.15 -3.42 113.55 105.00 1x69 h SER 2 Ca 0.00 0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1x69 h SER 2 Cb 0.00 0.76 -0.26 0.00 0.14 0.00 0.00 62.40 63.05 1x69 h SER 2 CO 0.00 -0.40 -0.29 -0.55 -1.14 0.00 0.00 176.83 174.46 1x69 s SER 3 N -5.05 -0.49 0.91 3.07 0.15 -1.26 -5.17 113.70 105.87 1x69 s SER 3 Ca -0.14 1.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.46 1x69 s SER 3 Cb 0.08 1.24 0.20 0.00 -1.71 0.00 0.00 66.02 65.84 1x69 s SER 3 CO 0.61 -0.22 1.23 0.61 1.20 0.00 0.00 173.24 176.67 1x69 n GLY 4 N 4.91 -0.73 3.97 9.45 0.00 -1.26 -5.10 105.19 116.44 1x69 n GLY 4 Ca -0.15 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x69 s SER 5 N -5.67 4.81 -0.31 1.61 1.04 -1.26 -5.08 113.70 108.84 1x69 s SER 5 Ca 0.74 -0.09 -0.07 0.00 0.48 0.00 0.00 55.95 57.01 1x69 s SER 5 Cb -0.03 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.56 1x69 s SER 5 CO 0.51 -1.51 0.10 -0.44 0.98 0.00 0.00 173.24 172.87 1x69 s SER 6 N -4.57 5.23 0.00 7.02 0.01 -1.26 -5.08 113.70 115.06 1x69 s SER 6 Ca 0.61 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1x69 s SER 6 Cb -0.08 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x69 s SER 6 CO 0.42 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1x69 n GLY 7 N 4.86 2.61 3.71 3.44 0.00 -1.26 -5.07 105.19 113.49 1x69 n GLY 7 Ca -0.14 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x69 n THR 8 N 0.00 4.22 -4.01 2.61 -2.24 -1.26 -5.03 114.28 108.57 1x69 n THR 8 Ca 0.00 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1x69 n THR 8 Cb 0.00 -1.49 -0.13 0.00 -2.10 0.00 0.00 70.33 66.61 1x69 n THR 8 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1x69 s TYR 9 N -1.36 0.32 0.05 4.78 -0.85 -1.26 -5.16 117.35 113.87 1x69 s TYR 9 Ca 0.76 -0.27 0.02 0.00 -0.52 0.00 0.00 57.07 57.07 1x69 s TYR 9 Cb -0.41 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 41.69 1x69 s TYR 9 CO 0.45 -0.07 0.05 0.16 -1.52 0.00 0.00 175.55 174.63 1x69 s ASP 10 N -0.75 5.41 -0.05 -0.18 1.47 -1.26 -5.12 116.67 116.18 1x69 s ASP 10 Ca -0.06 0.00 -0.00 0.00 1.18 0.00 0.00 52.55 53.67 1x69 s ASP 10 Cb -0.05 -1.45 0.03 0.00 -0.34 0.00 0.00 42.92 41.11 1x69 s ASP 10 CO -0.00 0.22 -0.02 -1.83 0.68 0.00 0.00 175.17 174.22 1x69 s GLU 11 N -2.06 0.63 0.61 2.11 -1.05 -1.26 -5.15 118.70 112.54 1x69 s GLU 11 Ca 0.25 0.02 -0.08 0.00 -0.15 0.00 0.00 54.97 55.01 1x69 s GLU 11 Cb -0.12 -0.81 -0.00 0.00 -0.44 0.00 0.00 34.13 32.76 1x69 s GLU 11 CO 0.17 -0.18 0.96 -0.47 0.95 0.00 0.00 175.26 176.69 1x69 s TYR 12 N 1.35 3.36 -0.30 4.83 5.04 -1.26 -5.09 117.35 125.29 1x69 s TYR 12 Ca -0.05 0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 1x69 s TYR 12 Cb -0.13 -2.77 0.19 0.00 0.35 0.00 0.00 41.96 39.59 1x69 s TYR 12 CO -0.02 -0.84 0.73 -2.00 -1.34 0.00 0.00 175.55 172.08 1x69 s GLU 13 N -5.09 0.45 0.41 4.97 2.12 -1.26 -5.17 118.70 115.13 1x69 s GLU 13 Ca 0.54 0.65 0.07 0.00 0.36 0.00 0.00 54.97 56.59 1x69 s GLU 13 Cb -0.11 0.34 -0.07 0.00 0.26 0.00 0.00 34.13 34.55 1x69 s GLU 13 CO 0.48 -0.63 0.04 0.54 -0.54 0.00 0.00 175.26 175.15 1x69 s ASN 14 N 2.88 3.98 -0.05 -1.70 4.22 -1.26 -5.16 114.94 117.85 1x69 s ASN 14 Ca 0.14 -1.32 -0.08 0.00 -2.14 0.00 0.00 52.86 49.46 1x69 s ASN 14 Cb -0.11 -0.41 0.02 0.00 1.28 0.00 0.00 41.25 42.02 1x69 s ASN 14 CO -0.21 -0.47 0.20 1.51 -2.04 0.00 0.00 177.10 176.10 1x69 s ASP 15 N -3.75 -0.14 -0.15 3.54 1.47 -1.26 -5.04 116.67 111.35 1x69 s ASP 15 Ca 0.36 0.19 0.16 0.00 1.18 0.00 0.00 52.55 54.44 1x69 s ASP 15 Cb 0.09 0.35 0.49 0.00 -0.34 0.00 0.00 42.92 43.51 1x69 s ASP 15 CO 0.19 -0.21 1.39 0.18 0.68 0.00 0.00 175.17 177.40 1x69 n LEU 16 N 2.29 3.71 0.00 2.11 4.77 -1.26 -4.91 117.00 123.72 1x69 n LEU 16 Ca -0.17 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1x69 n LEU 16 Cb 0.57 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1x69 n LEU 16 CO 0.20 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1x69 n GLY 17 N -0.35 1.79 3.77 -0.72 0.00 -1.26 -2.22 105.19 106.20 1x69 n GLY 17 Ca 0.20 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1x69 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x69 s ILE 18 N 0.00 4.53 0.13 -0.61 1.01 -1.26 -4.80 121.20 120.21 1x69 s ILE 18 Ca 0.00 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.33 1x69 s ILE 18 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1x69 s ILE 18 CO 0.00 0.48 -0.19 0.42 0.00 0.00 0.00 174.94 175.66 1x69 s THR 19 N -0.81 1.69 0.09 2.92 -4.23 -1.26 -1.89 115.64 112.15 1x69 s THR 19 Ca 0.35 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 1x69 s THR 19 Cb -0.22 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.95 1x69 s THR 19 CO 0.24 -0.23 0.19 0.00 -0.54 0.00 0.00 174.62 174.28 1x69 s ALA 20 N -1.70 -0.18 -0.15 3.99 0.00 -1.13 -0.81 121.76 121.79 1x69 s ALA 20 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1x69 s ALA 20 Cb -0.07 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1x69 s ALA 20 CO 0.05 -0.52 -0.21 0.54 0.00 0.00 0.00 175.76 175.62 1x69 s VAL 21 N -3.87 2.03 0.51 0.00 0.11 0.10 -1.89 120.40 117.39 1x69 s VAL 21 Ca 0.06 -0.95 -0.23 0.00 -2.93 0.00 0.00 61.98 57.94 1x69 s VAL 21 Cb 0.05 -1.81 -0.07 0.00 -1.53 0.00 0.00 36.38 33.03 1x69 s VAL 21 CO -0.10 0.54 1.29 0.00 -3.33 0.00 0.00 175.10 173.50 1x69 n ALA 22 N 4.24 1.37 -0.08 1.54 0.00 -1.08 -1.18 120.51 125.32 1x69 n ALA 22 Ca -0.20 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1x69 n ALA 22 Cb 0.51 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.54 1x69 n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x69 n LEU 23 N -0.56 0.37 -3.92 0.00 4.77 -0.04 0.52 117.00 118.14 1x69 n LEU 23 Ca 0.09 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1x69 n LEU 23 Cb 0.43 0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1x69 n LEU 23 CO 0.55 0.43 -0.17 -0.31 -1.33 0.00 0.00 177.39 176.56 1x69 s TYR 24 N -2.37 0.24 0.10 -1.77 1.51 -1.24 -4.52 117.35 109.29 1x69 s TYR 24 Ca -0.10 -0.68 -0.31 0.00 -1.01 0.00 0.00 57.07 54.98 1x69 s TYR 24 Cb 0.05 -0.14 -0.09 0.00 -0.11 0.00 0.00 41.96 41.67 1x69 s TYR 24 CO 0.60 -0.49 1.61 0.16 -1.11 0.00 0.00 175.55 176.32 1x69 s ASP 25 N -2.78 6.62 0.06 2.29 1.47 -1.26 -4.21 116.67 118.85 1x69 s ASP 25 Ca 0.04 2.50 0.09 0.00 1.18 0.00 0.00 52.55 56.36 1x69 s ASP 25 Cb 0.05 -2.57 -0.03 0.00 -0.34 0.00 0.00 42.92 40.03 1x69 s ASP 25 CO -0.10 -0.85 -0.25 -0.47 0.68 0.00 0.00 175.17 174.18 1x69 s TYR 26 N 2.12 2.21 -0.35 2.11 6.14 -1.04 -4.97 117.35 123.57 1x69 s TYR 26 Ca 0.72 -0.40 0.01 0.00 0.64 0.00 0.00 57.07 58.03 1x69 s TYR 26 Cb -0.40 -1.31 0.11 0.00 0.42 0.00 0.00 41.96 40.78 1x69 s TYR 26 CO 0.32 0.14 0.13 -0.65 0.64 0.00 0.00 175.55 176.12 1x69 s GLN 27 N -1.33 1.00 -0.11 4.97 1.11 -1.26 -3.14 119.66 120.90 1x69 s GLN 27 Ca 0.11 -1.46 -0.41 0.00 0.01 0.00 0.00 55.36 53.61 1x69 s GLN 27 Cb -0.10 -2.31 -0.19 0.00 -1.01 0.00 0.00 33.01 29.40 1x69 s GLN 27 CO 0.02 -1.02 1.24 0.00 0.01 0.00 0.00 175.29 175.55 1x69 n ALA 28 N 4.41 -2.71 -0.12 6.09 0.00 -1.25 -4.83 120.51 122.09 1x69 n ALA 28 Ca 0.02 0.56 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 1x69 n ALA 28 Cb 0.40 -1.85 0.19 0.00 0.00 0.00 0.00 19.45 18.19 1x69 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x69 h ALA 29 N 3.78 1.19 -3.00 0.00 0.00 -1.92 -3.46 119.26 115.85 1x69 h ALA 29 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1x69 h ALA 29 Cb 1.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x69 h ALA 29 CO 0.75 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.95 1x69 n GLY 30 N -0.80 6.20 0.15 0.00 0.00 -1.26 -5.06 105.19 104.41 1x69 n GLY 30 Ca 0.03 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 1x69 n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x69 h ASP 31 N 0.00 0.80 -0.51 1.61 3.32 -2.03 -3.33 116.42 116.28 1x69 h ASP 31 Ca 0.00 -0.90 0.10 0.00 0.02 0.00 0.00 57.03 56.25 1x69 h ASP 31 Cb 0.00 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 39.21 1x69 h ASP 31 CO 0.00 1.63 -0.02 0.44 -1.72 0.00 0.00 179.24 179.57 1x69 h ASP 32 N 0.09 -0.25 -4.28 6.45 5.19 -1.97 -3.42 116.42 118.23 1x69 h ASP 32 Ca -0.22 0.13 -0.50 0.00 -0.62 0.00 0.00 57.03 55.82 1x69 h ASP 32 Cb 2.00 0.23 0.06 0.00 0.18 0.00 0.00 39.33 41.81 1x69 h ASP 32 CO 0.24 -0.09 0.38 -1.61 -3.12 0.00 0.00 179.24 175.05 1x69 s GLU 33 N -6.17 3.37 0.14 3.56 2.02 -1.25 -1.87 118.70 118.49 1x69 s GLU 33 Ca -0.14 0.96 0.08 0.00 0.02 0.00 0.00 54.97 55.90 1x69 s GLU 33 Cb 0.16 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1x69 s GLU 33 CO 0.72 -0.75 -0.13 0.96 0.02 0.00 0.00 175.26 176.09 1x69 s ILE 34 N -2.86 3.12 -0.12 -1.63 -4.36 -0.92 -4.76 121.20 109.67 1x69 s ILE 34 Ca 0.59 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 59.48 1x69 s ILE 34 Cb -0.13 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 1x69 s ILE 34 CO 0.46 0.02 -0.13 -0.44 0.24 0.00 0.00 174.94 175.09 1x69 s SER 35 N -2.43 3.99 0.17 4.36 0.01 -1.26 -3.85 113.70 114.69 1x69 s SER 35 Ca 0.22 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1x69 s SER 35 Cb -0.10 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1x69 s SER 35 CO 0.13 0.18 0.03 0.72 0.41 0.00 0.00 173.24 174.71 1x69 s PHE 36 N 0.26 1.14 0.51 2.43 -0.12 -1.19 -4.95 117.98 116.06 1x69 s PHE 36 Ca -0.09 -1.12 -0.04 0.00 -0.05 0.00 0.00 56.93 55.63 1x69 s PHE 36 Cb -0.16 -0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 41.57 1x69 s PHE 36 CO 0.05 -0.33 0.79 0.16 -0.05 0.00 0.00 175.22 175.84 1x69 s ASP 37 N -3.15 5.93 0.25 1.98 1.47 -1.26 -2.49 116.67 119.40 1x69 s ASP 37 Ca 0.26 0.69 -0.30 0.00 1.18 0.00 0.00 52.55 54.39 1x69 s ASP 37 Cb 0.07 -1.89 -0.09 0.00 -0.34 0.00 0.00 42.92 40.66 1x69 s ASP 37 CO 0.05 -0.76 1.27 -2.16 0.68 0.00 0.00 175.17 174.24 1x69 s PRO 38 N -4.77 4.43 -0.96 2.11 0.04 -1.26 -3.08 135.00 131.51 1x69 s PRO 38 Ca 0.49 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 1x69 s PRO 38 Cb -0.10 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x69 s PRO 38 CO 0.43 -0.15 0.22 -0.25 0.04 0.00 0.00 177.00 177.29 1x69 n ASP 39 N 1.91 -4.09 -4.69 6.66 8.00 0.18 -4.94 116.55 119.59 1x69 n ASP 39 Ca 0.03 -0.11 -0.24 0.00 0.71 0.00 0.00 54.79 55.18 1x69 n ASP 39 Cb 0.43 -3.09 0.10 0.00 -0.02 0.00 0.00 41.12 38.54 1x69 n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x69 s ASP 40 N -2.69 4.41 -0.11 -2.24 2.15 -1.18 -4.76 116.67 112.26 1x69 s ASP 40 Ca 0.11 -0.20 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1x69 s ASP 40 Cb -0.05 -0.25 -0.01 0.00 -0.30 0.00 0.00 42.92 42.32 1x69 s ASP 40 CO 0.14 -1.81 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.51 1x69 s ILE 41 N -3.16 2.58 0.06 4.11 -1.09 -1.26 -2.62 121.20 119.82 1x69 s ILE 41 Ca 0.65 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 1x69 s ILE 41 Cb -0.06 -2.03 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 1x69 s ILE 41 CO 0.44 0.55 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.87 1x69 s ILE 42 N 0.25 1.56 0.08 2.92 1.09 -0.79 -4.78 121.20 121.52 1x69 s ILE 42 Ca -0.12 -1.29 0.00 0.00 -1.10 0.00 0.00 60.65 58.14 1x69 s ILE 42 Cb -0.16 -1.39 -0.04 0.00 -1.06 0.00 0.00 42.46 39.80 1x69 s ILE 42 CO 0.07 0.06 -0.05 0.42 -0.10 0.00 0.00 174.94 175.34 1x69 s THR 43 N -0.95 0.47 -0.89 2.92 -4.23 -1.24 -2.82 115.64 108.90 1x69 s THR 43 Ca 0.06 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 1x69 s THR 43 Cb -0.09 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 72.17 1x69 s THR 43 CO 0.03 -0.92 0.76 0.59 -0.54 0.00 0.00 174.62 174.53 1x69 n ASN 44 N 0.06 -4.86 -4.78 3.99 5.03 -0.94 -1.71 115.26 112.04 1x69 n ASN 44 Ca -0.13 -0.34 -0.34 0.00 0.87 0.00 0.00 54.58 54.63 1x69 n ASN 44 Cb 0.61 -3.46 0.00 0.00 -1.02 0.00 0.00 39.78 35.91 1x69 n ASN 44 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x69 s ILE 45 N -3.20 3.40 -0.06 2.41 1.01 -0.79 -3.91 121.20 120.06 1x69 s ILE 45 Ca 0.38 0.80 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1x69 s ILE 45 Cb -0.17 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.02 1x69 s ILE 45 CO 0.47 -0.26 -0.08 -1.61 0.00 0.00 0.00 174.94 173.45 1x69 s GLU 46 N -3.54 1.30 -0.60 2.79 0.41 0.64 -4.43 118.70 115.27 1x69 s GLU 46 Ca 0.69 -0.26 -0.21 0.00 -0.41 0.00 0.00 54.97 54.79 1x69 s GLU 46 Cb -0.21 -1.18 0.08 0.00 -1.78 0.00 0.00 34.13 31.04 1x69 s GLU 46 CO 0.30 -0.06 0.80 -1.64 -0.49 0.00 0.00 175.26 174.17 1x69 s MET 47 N 0.91 3.11 -0.12 1.61 -1.94 -1.26 -0.89 119.30 120.72 1x69 s MET 47 Ca -0.11 -0.97 -0.13 0.00 -1.71 0.00 0.00 55.69 52.77 1x69 s MET 47 Cb -0.15 -4.20 -0.04 0.00 2.01 0.00 0.00 34.83 32.45 1x69 s MET 47 CO 0.01 -1.58 -0.26 -0.89 -0.01 0.00 0.00 175.02 172.30 1x69 n ILE 48 N 5.75 1.26 -3.26 2.53 5.41 -1.25 -5.05 119.36 124.75 1x69 n ILE 48 Ca -0.06 0.21 -0.18 0.00 1.00 0.00 0.00 62.75 63.72 1x69 n ILE 48 Cb 0.44 -2.12 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 1x69 n ILE 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x69 s ASP 49 N -5.68 5.75 -0.09 4.38 2.15 -1.08 -4.99 116.67 117.11 1x69 s ASP 49 Ca -0.21 -0.34 0.01 0.00 0.43 0.00 0.00 52.55 52.43 1x69 s ASP 49 Cb 0.03 -0.91 0.12 0.00 -0.30 0.00 0.00 42.92 41.86 1x69 s ASP 49 CO 0.32 -0.60 1.28 0.47 -0.17 0.00 0.00 175.17 176.46 1x69 n ASP 50 N -1.73 3.49 0.00 -0.34 9.92 -1.26 -3.84 116.55 122.78 1x69 n ASP 50 Ca 0.04 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.95 1x69 n ASP 50 Cb 0.59 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x69 n GLY 51 N 0.31 0.05 3.45 0.44 0.00 -1.26 -5.09 105.19 103.09 1x69 n GLY 51 Ca 0.11 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1x69 n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x69 s TRP 52 N -0.82 2.45 0.23 1.61 0.52 -1.25 -0.19 118.94 121.49 1x69 s TRP 52 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 55.82 1x69 s TRP 52 Cb 0.00 -1.31 -0.05 0.00 -1.15 0.00 0.00 33.47 30.97 1x69 s TRP 52 CO 0.00 0.37 0.11 -1.58 0.02 0.00 0.00 176.95 175.87 1x69 s TRP 53 N -1.11 1.37 -0.11 -1.98 0.51 0.73 -2.64 118.94 115.71 1x69 s TRP 53 Ca 0.16 -1.27 0.01 0.00 -2.12 0.00 0.00 56.10 52.89 1x69 s TRP 53 Cb -0.10 -0.75 0.02 0.00 -0.81 0.00 0.00 33.47 31.82 1x69 s TRP 53 CO 0.09 -0.47 -0.13 1.03 -0.51 0.00 0.00 176.95 176.96 1x69 s ARG 54 N -4.09 2.01 0.15 4.98 0.52 -0.06 -0.71 118.95 121.74 1x69 s ARG 54 Ca 0.38 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 55.08 1x69 s ARG 54 Cb 0.07 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 1x69 s ARG 54 CO 0.13 -0.14 0.16 0.20 0.02 0.00 0.00 175.30 175.67 1x69 s GLY 55 N 1.22 0.78 -0.52 -3.53 0.00 -1.23 0.23 107.32 104.28 1x69 s GLY 55 Ca -0.02 -1.23 -0.20 0.00 0.00 0.00 0.00 44.72 43.27 1x69 s GLY 55 CO -0.04 -1.14 0.67 0.14 0.00 0.00 0.00 173.10 172.73 1x69 s VAL 56 N -4.02 4.81 -0.13 1.40 1.01 -0.69 -3.57 120.40 119.20 1x69 s VAL 56 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1x69 s VAL 56 Cb 0.06 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1x69 s VAL 56 CO 0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 175.10 174.09 1x69 n LYS 58 N 3.63 -2.65 -2.29 0.00 5.02 -1.26 0.30 118.16 120.91 1x69 n LYS 58 Ca -0.18 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1x69 n LYS 58 Cb 0.53 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 1x69 n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x69 n GLY 59 N -0.72 0.94 3.02 0.72 0.00 -1.26 -5.07 105.19 102.82 1x69 n GLY 59 Ca -0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1x69 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x69 s ARG 60 N -4.57 0.16 -0.29 1.61 0.52 0.15 -5.13 118.95 111.39 1x69 s ARG 60 Ca 0.00 0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 55.87 1x69 s ARG 60 Cb 0.00 -0.07 0.04 0.00 0.52 0.00 0.00 34.95 35.45 1x69 s ARG 60 CO 0.00 -0.25 0.00 -0.47 0.02 0.00 0.00 175.30 174.60 1x69 s TYR 61 N 2.07 3.21 0.15 -0.53 5.04 -1.25 -0.16 117.35 125.88 1x69 s TYR 61 Ca -0.02 -1.70 -0.05 0.00 -2.44 0.00 0.00 57.07 52.86 1x69 s TYR 61 Cb -0.11 -2.12 0.02 0.00 0.35 0.00 0.00 41.96 40.09 1x69 s TYR 61 CO -0.08 -0.77 0.28 0.41 -1.34 0.00 0.00 175.55 174.05 1x69 n GLY 62 N 4.67 1.89 3.78 8.97 0.00 -1.23 -4.96 105.19 118.31 1x69 n GLY 62 Ca -0.14 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1x69 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x69 s LEU 63 N 0.00 4.32 -0.18 0.99 1.43 -0.78 -3.51 118.68 120.94 1x69 s LEU 63 Ca 0.08 1.96 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 1x69 s LEU 63 Cb -0.02 -4.00 0.06 0.00 0.03 0.00 0.00 46.19 42.27 1x69 s LEU 63 CO 0.06 -0.20 0.62 0.72 0.23 0.00 0.00 176.35 177.77 1x69 s PHE 64 N -1.55 -0.65 0.13 0.29 -0.12 0.11 -2.16 117.98 114.03 1x69 s PHE 64 Ca 0.51 1.47 -0.31 0.00 -0.05 0.00 0.00 56.93 58.56 1x69 s PHE 64 Cb -0.22 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.36 1x69 s PHE 64 CO 0.28 -0.39 1.35 -1.25 -0.05 0.00 0.00 175.22 175.15 1x69 s PRO 65 N -0.10 4.35 0.00 1.99 0.04 -1.26 -0.19 135.00 139.83 1x69 s PRO 65 Ca -0.03 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.28 1x69 s PRO 65 Cb -0.04 -3.25 1.33 0.00 0.04 0.00 0.00 34.50 32.59 1x69 s PRO 65 CO 0.03 -0.38 1.76 0.00 0.04 0.00 0.00 177.00 178.45 1x69 n ALA 66 N 3.67 2.31 0.09 8.56 0.00 0.73 -3.07 120.51 132.80 1x69 n ALA 66 Ca 0.10 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1x69 n ALA 66 Cb 0.43 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.35 1x69 n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1x69 h ASN 67 N 0.00 0.64 0.00 0.00 4.21 -1.91 -3.26 115.58 115.26 1x69 h ASN 67 Ca 0.00 -0.92 0.00 0.00 1.21 0.00 0.00 56.30 56.59 1x69 h ASN 67 Cb 0.06 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1x69 h ASN 67 CO 0.00 1.65 0.00 -1.22 -1.29 0.00 0.00 177.43 176.57 1x69 n TYR 68 N -3.81 0.00 -4.12 1.19 4.02 -1.17 -4.79 117.16 108.48 1x69 n TYR 68 Ca -0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.59 1x69 n TYR 68 Cb 1.01 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.24 1x69 n TYR 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1x69 s VAL 69 N -2.00 0.04 -0.04 -0.72 -7.23 -1.23 -0.86 120.40 108.36 1x69 s VAL 69 Ca 0.02 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1x69 s VAL 69 Cb 0.01 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.77 1x69 s VAL 69 CO 0.02 -0.20 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.89 1x69 s GLU 70 N -4.07 0.57 -0.07 4.82 2.56 -0.32 -4.85 118.70 117.33 1x69 s GLU 70 Ca 0.28 0.01 -0.30 0.00 0.00 0.00 0.00 54.97 54.97 1x69 s GLU 70 Cb 0.06 -0.71 -0.05 0.00 2.00 0.00 0.00 34.13 35.43 1x69 s GLU 70 CO 0.06 -0.14 1.54 -0.51 -0.56 0.00 0.00 175.26 175.65 1x69 s LEU 71 N 1.15 4.29 -0.17 2.70 1.43 -1.26 0.01 118.68 126.84 1x69 s LEU 71 Ca -0.08 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.84 1x69 s LEU 71 Cb -0.14 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1x69 s LEU 71 CO -0.02 -0.87 0.97 -0.13 0.23 0.00 0.00 176.35 176.53 1x69 s ARG 72 N 3.77 4.33 -0.10 1.70 0.52 0.01 -4.93 118.95 124.24 1x69 s ARG 72 Ca 0.68 1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 56.87 1x69 s ARG 72 Cb -0.30 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 1x69 s ARG 72 CO 0.26 -0.42 1.37 -1.14 0.02 0.00 0.00 175.30 175.38 1x69 s GLN 73 N 2.44 4.24 0.28 3.54 2.00 -1.26 -4.64 119.66 126.27 1x69 s GLN 73 Ca 0.44 1.84 0.02 0.00 -2.00 0.00 0.00 55.36 55.66 1x69 s GLN 73 Cb -0.17 -3.76 -0.04 0.00 0.80 0.00 0.00 33.01 29.84 1x69 s GLN 73 CO 0.12 -0.69 0.15 0.45 -0.50 0.00 0.00 175.29 174.83 1x69 s SER 74 N 2.22 1.23 -0.88 6.67 0.15 -1.26 -4.95 113.70 116.88 1x69 s SER 74 Ca 0.61 -1.51 -0.04 0.00 0.70 0.00 0.00 55.95 55.70 1x69 s SER 74 Cb -0.26 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1x69 s SER 74 CO 0.21 -0.86 0.76 0.61 1.20 0.00 0.00 173.24 175.15 1x69 n GLY 75 N -0.51 -1.20 0.00 9.45 0.00 -1.26 -4.84 105.19 106.84 1x69 n GLY 75 Ca 0.02 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.61 1x69 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x69 n PRO 76 N -2.58 0.49 -0.06 1.61 -0.04 -1.26 -3.24 135.00 129.91 1x69 n PRO 76 Ca -0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1x69 n PRO 76 Cb 0.56 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1x69 n PRO 76 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x69 h SER 77 N 0.00 0.00 -2.09 3.54 0.87 -2.04 -3.46 113.55 110.37 1x69 h SER 77 Ca 0.00 -0.35 -0.63 0.00 -1.23 0.00 0.00 61.79 59.57 1x69 h SER 77 Cb 0.00 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.05 1x69 h SER 77 CO 0.00 0.78 0.25 -1.20 -0.53 0.00 0.00 176.83 176.13 1x69 n SER 78 N -4.67 1.38 0.00 6.23 7.64 -1.20 -5.30 113.62 117.70 1x69 n SER 78 Ca -0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x69 n SER 78 Cb 0.25 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64