#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x69 s SER 2 N 0.00 5.38 0.08 1.61 1.04 -1.26 -4.92 113.70 115.63 1x69 s SER 2 Ca 0.00 -0.96 -0.32 0.00 0.48 0.00 0.00 55.95 55.15 1x69 s SER 2 Cb 0.00 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.38 1x69 s SER 2 CO 0.00 -2.56 0.78 -1.54 0.98 0.00 0.00 173.24 170.90 1x69 n SER 3 N 13.10 -0.50 0.00 7.02 3.41 -1.26 -4.92 113.62 130.48 1x69 n SER 3 Ca 0.40 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 60.07 1x69 n SER 3 Cb 0.47 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1x69 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x69 n GLY 4 N 1.59 0.60 3.99 5.00 0.00 -1.26 -5.12 105.19 109.99 1x69 n GLY 4 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1x69 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x69 s SER 5 N 0.97 4.59 0.44 1.61 0.15 -1.26 -5.13 113.70 115.08 1x69 s SER 5 Ca 0.00 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1x69 s SER 5 Cb 0.00 -0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.01 1x69 s SER 5 CO 0.00 -1.68 0.02 -0.44 1.20 0.00 0.00 173.24 172.34 1x69 s SER 6 N -4.66 4.00 -0.27 5.45 0.01 -1.26 -4.92 113.70 112.06 1x69 s SER 6 Ca 0.64 -1.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.26 1x69 s SER 6 Cb -0.07 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.08 1x69 s SER 6 CO 0.43 -0.59 0.37 0.61 0.41 0.00 0.00 173.24 174.47 1x69 n GLY 7 N -1.09 -0.25 3.11 3.44 0.00 -1.26 -5.00 105.19 104.14 1x69 n GLY 7 Ca -0.09 0.68 -0.18 0.00 0.00 0.00 0.00 46.02 46.43 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x69 s THR 8 N -1.37 0.92 -1.17 2.61 -1.32 -1.26 -5.08 115.64 108.97 1x69 s THR 8 Ca 0.21 -0.94 -0.20 0.00 -1.21 0.00 0.00 61.69 59.54 1x69 s THR 8 Cb -0.02 -0.86 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 1x69 s THR 8 CO 0.53 -0.07 1.60 -0.47 -2.21 0.00 0.00 174.62 174.00 1x69 s TYR 9 N -0.90 2.69 -0.26 9.09 5.04 -1.26 -4.71 117.35 127.04 1x69 s TYR 9 Ca -0.01 -1.30 0.09 0.00 -2.44 0.00 0.00 57.07 53.41 1x69 s TYR 9 Cb -0.08 -4.72 0.45 0.00 0.35 0.00 0.00 41.96 37.96 1x69 s TYR 9 CO 0.01 -1.86 1.20 -0.25 -1.34 0.00 0.00 175.55 173.31 1x69 n ASP 10 N 8.55 3.74 -3.52 4.32 9.92 -1.26 -4.94 116.55 133.36 1x69 n ASP 10 Ca 0.42 -3.76 -0.21 0.00 -0.53 0.00 0.00 54.79 50.71 1x69 n ASP 10 Cb 0.48 -0.41 0.08 0.00 -0.64 0.00 0.00 41.12 40.64 1x69 n ASP 10 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x69 n GLU 11 N -0.84 -7.45 0.11 -1.24 1.02 -1.26 -4.84 120.64 106.14 1x69 n GLU 11 Ca 0.34 0.83 0.08 0.00 -0.02 0.00 0.00 57.16 58.39 1x69 n GLU 11 Cb 0.87 -5.86 0.40 0.00 -0.02 0.00 0.00 31.44 26.84 1x69 n GLU 11 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1x69 n TYR 12 N -4.68 0.50 -1.60 -0.32 4.11 -1.26 -2.56 117.16 111.35 1x69 n TYR 12 Ca -0.10 0.26 -0.31 0.00 -0.00 0.00 0.00 57.90 57.75 1x69 n TYR 12 Cb 0.60 -0.92 -0.01 0.00 -0.00 0.00 0.00 39.34 39.01 1x69 n TYR 12 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1x69 n GLU 13 N -2.02 2.50 -4.92 -3.48 1.02 -1.26 -4.93 120.64 107.56 1x69 n GLU 13 Ca -0.01 -2.75 -0.33 0.00 -0.02 0.00 0.00 57.16 54.05 1x69 n GLU 13 Cb 0.02 -2.17 -0.13 0.00 -0.02 0.00 0.00 31.44 29.14 1x69 n GLU 13 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x69 s ASN 14 N -0.24 3.95 -0.79 1.62 -0.87 -1.06 -5.07 114.94 112.48 1x69 s ASN 14 Ca 0.55 -0.22 0.02 0.00 -1.57 0.00 0.00 52.86 51.65 1x69 s ASN 14 Cb 0.40 -0.83 0.20 0.00 -0.02 0.00 0.00 41.25 41.00 1x69 s ASN 14 CO -0.27 0.34 0.65 0.47 -2.57 0.00 0.00 177.10 175.72 1x69 n ASP 15 N 2.35 3.63 -0.03 -1.22 8.00 -1.26 -4.90 116.55 123.12 1x69 n ASP 15 Ca -0.17 -3.21 -0.14 0.00 0.71 0.00 0.00 54.79 51.99 1x69 n ASP 15 Cb 0.52 -0.88 -0.10 0.00 -0.02 0.00 0.00 41.12 40.64 1x69 n ASP 15 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1x69 h LEU 16 N 5.52 0.12 0.00 0.64 4.07 -1.97 -3.44 115.31 120.25 1x69 h LEU 16 Ca 0.16 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1x69 h LEU 16 Cb 0.76 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1x69 h LEU 16 CO 0.80 0.73 0.00 0.61 -1.08 0.00 0.00 178.44 179.49 1x69 n GLY 17 N 0.62 -0.09 3.72 0.83 0.00 -1.26 0.13 105.19 109.14 1x69 n GLY 17 Ca -0.09 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 3.91 0.25 -0.61 1.09 -1.26 -4.73 121.20 119.86 1x69 s ILE 18 Ca 0.00 1.42 0.12 0.00 -1.10 0.00 0.00 60.65 61.09 1x69 s ILE 18 Cb 0.00 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.44 1x69 s ILE 18 CO 0.00 0.14 -0.21 0.42 -0.10 0.00 0.00 174.94 175.19 1x69 s THR 19 N 0.79 2.41 0.18 2.92 -4.23 -1.26 -1.75 115.64 114.70 1x69 s THR 19 Ca 0.57 -2.31 -0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1x69 s THR 19 Cb -0.30 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 1x69 s THR 19 CO 0.31 -0.34 0.31 0.00 -0.54 0.00 0.00 174.62 174.35 1x69 s ALA 20 N -2.33 0.07 -0.08 3.99 0.00 -1.07 -2.13 121.76 120.22 1x69 s ALA 20 Ca 0.27 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1x69 s ALA 20 Cb -0.06 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 1x69 s ALA 20 CO 0.13 -0.68 -0.23 0.54 0.00 0.00 0.00 175.76 175.52 1x69 s VAL 21 N -4.00 2.22 0.32 0.00 0.11 0.10 -1.73 120.40 117.43 1x69 s VAL 21 Ca 0.20 -0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 57.98 1x69 s VAL 21 Cb 0.03 -1.84 -0.10 0.00 -1.53 0.00 0.00 36.38 32.95 1x69 s VAL 21 CO 0.03 0.56 1.18 0.00 -3.33 0.00 0.00 175.10 173.55 1x69 s ALA 22 N -0.00 3.39 -0.22 1.54 0.00 -1.04 0.15 121.76 125.58 1x69 s ALA 22 Ca -0.08 1.03 0.09 0.00 0.00 0.00 0.00 51.96 53.01 1x69 s ALA 22 Cb -0.15 -3.39 -0.20 0.00 0.00 0.00 0.00 23.12 19.39 1x69 s ALA 22 CO 0.05 -0.39 -0.08 1.28 0.00 0.00 0.00 175.76 176.62 1x69 n LEU 23 N 0.83 1.50 -3.88 0.00 4.77 -0.17 0.31 117.00 120.36 1x69 n LEU 23 Ca 0.00 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1x69 n LEU 23 Cb 0.44 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1x69 n LEU 23 CO 0.55 0.69 -0.20 -0.31 -1.33 0.00 0.00 177.39 176.79 1x69 s TYR 24 N -2.47 0.04 0.67 -1.77 1.51 -1.24 -4.62 117.35 109.48 1x69 s TYR 24 Ca -0.21 -0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 55.56 1x69 s TYR 24 Cb 0.07 -0.05 -0.02 0.00 -0.11 0.00 0.00 41.96 41.84 1x69 s TYR 24 CO 0.67 -0.25 0.88 -0.40 -1.11 0.00 0.00 175.55 175.34 1x69 n ASP 25 N 1.66 0.25 -3.68 2.29 5.68 -1.26 -4.54 116.55 116.95 1x69 n ASP 25 Ca -0.22 0.70 -0.10 0.00 -0.50 0.00 0.00 54.79 54.68 1x69 n ASP 25 Cb 0.56 -1.36 -0.10 0.00 -1.14 0.00 0.00 41.12 39.07 1x69 n ASP 25 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1x69 s TYR 26 N -1.72 -0.67 -0.54 2.11 6.14 -1.06 -4.97 117.35 116.63 1x69 s TYR 26 Ca 0.73 1.36 -0.07 0.00 0.64 0.00 0.00 57.07 59.73 1x69 s TYR 26 Cb -0.37 0.25 0.14 0.00 0.42 0.00 0.00 41.96 42.40 1x69 s TYR 26 CO 0.50 -0.41 0.40 1.14 0.64 0.00 0.00 175.55 177.83 1x69 s GLN 27 N 2.05 2.57 0.11 4.97 0.00 -1.26 -2.52 119.66 125.58 1x69 s GLN 27 Ca -0.05 -2.04 -0.35 0.00 -0.00 0.00 0.00 55.36 52.92 1x69 s GLN 27 Cb -0.10 -3.90 -0.18 0.00 0.00 0.00 0.00 33.01 28.83 1x69 s GLN 27 CO -0.12 -1.19 1.01 0.00 0.00 0.00 0.00 175.29 174.99 1x69 n ALA 28 N 4.41 -2.26 -0.06 2.60 0.00 -1.26 -4.87 120.51 119.07 1x69 n ALA 28 Ca -0.01 0.51 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 1x69 n ALA 28 Cb 0.41 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 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 2.82 0.32 -2.04 0.00 0.00 -1.93 -3.47 119.26 114.96 1x69 h ALA 29 Ca -0.43 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 53.55 1x69 h ALA 29 Cb 1.39 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1x69 h ALA 29 CO 0.66 0.46 -0.59 0.20 0.00 0.00 0.00 179.25 179.97 1x69 s GLY 30 N -3.83 2.09 0.27 0.00 0.00 -1.26 -5.04 107.32 99.55 1x69 s GLY 30 Ca -0.12 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 42.74 1x69 s GLY 30 CO 0.84 -1.76 1.75 1.29 0.00 0.00 0.00 173.10 175.22 1x69 h ASP 31 N 2.13 0.51 -0.78 1.64 3.04 -2.03 -0.58 116.42 120.35 1x69 h ASP 31 Ca -0.39 0.11 0.18 0.00 -3.24 0.00 0.00 57.03 53.68 1x69 h ASP 31 Cb 1.25 0.03 -0.12 0.00 -1.04 0.00 0.00 39.33 39.45 1x69 h ASP 31 CO 0.65 0.18 0.19 -2.24 -2.04 0.00 0.00 179.24 175.98 1x69 h ASP 32 N 0.59 0.01 -3.86 4.15 2.03 -1.95 -3.41 116.42 113.98 1x69 h ASP 32 Ca 0.49 0.16 -0.50 0.00 -0.73 0.00 0.00 57.03 56.46 1x69 h ASP 32 Cb 0.76 0.22 0.03 0.00 -0.83 0.00 0.00 39.33 39.51 1x69 h ASP 32 CO -0.40 -0.07 0.21 -1.61 -1.03 0.00 0.00 179.24 176.35 1x69 s GLU 33 N -6.02 3.65 0.18 4.15 2.02 -0.23 -0.43 118.70 122.03 1x69 s GLU 33 Ca -0.13 0.47 0.11 0.00 0.02 0.00 0.00 54.97 55.45 1x69 s GLU 33 Cb 0.23 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1x69 s GLU 33 CO 0.76 -0.26 -0.22 0.96 0.02 0.00 0.00 175.26 176.51 1x69 s ILE 34 N -2.76 2.46 0.32 -1.63 -4.36 -1.02 -4.73 121.20 109.49 1x69 s ILE 34 Ca 0.51 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 59.03 1x69 s ILE 34 Cb -0.10 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1x69 s ILE 34 CO 0.43 -0.09 0.13 -0.55 0.24 0.00 0.00 174.94 175.09 1x69 s SER 35 N -2.63 4.76 -0.20 4.36 0.15 -1.26 -4.00 113.70 114.88 1x69 s SER 35 Ca 0.21 -0.69 -0.31 0.00 0.70 0.00 0.00 55.95 55.86 1x69 s SER 35 Cb -0.08 -0.82 0.15 0.00 -1.71 0.00 0.00 66.02 63.56 1x69 s SER 35 CO 0.10 -0.22 1.17 0.72 1.20 0.00 0.00 173.24 176.21 1x69 s PHE 36 N -2.37 -0.19 0.54 3.44 -0.12 -1.05 -4.96 117.98 113.27 1x69 s PHE 36 Ca 0.36 0.26 -0.06 0.00 -0.05 0.00 0.00 56.93 57.44 1x69 s PHE 36 Cb -0.04 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1x69 s PHE 36 CO 0.23 -0.21 0.86 -0.51 -0.05 0.00 0.00 175.22 175.53 1x69 s ASP 37 N -1.48 6.05 0.34 1.98 1.01 -1.26 -2.57 116.67 120.75 1x69 s ASP 37 Ca 0.05 0.95 -0.28 0.00 0.71 0.00 0.00 52.55 53.98 1x69 s ASP 37 Cb -0.01 -2.12 -0.09 0.00 1.01 0.00 0.00 42.92 41.70 1x69 s ASP 37 CO -0.04 -0.77 1.21 -2.16 0.21 0.00 0.00 175.17 173.62 1x69 s PRO 38 N -4.89 4.32 -0.66 8.23 0.04 -1.26 -3.19 135.00 137.58 1x69 s PRO 38 Ca 0.51 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1x69 s PRO 38 Cb -0.10 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1x69 s PRO 38 CO 0.46 -0.14 0.00 -0.25 0.04 0.00 0.00 177.00 177.12 1x69 n ASP 39 N 0.65 -2.91 -4.88 6.66 8.00 0.15 -4.95 116.55 119.27 1x69 n ASP 39 Ca 0.01 0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.32 1x69 n ASP 39 Cb 0.44 -2.10 0.07 0.00 -0.02 0.00 0.00 41.12 39.51 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1x69 s ASP 40 N -2.69 4.90 -0.06 -2.24 1.01 -1.19 -4.81 116.67 111.58 1x69 s ASP 40 Ca 0.00 -0.50 0.06 0.00 0.71 0.00 0.00 52.55 52.82 1x69 s ASP 40 Cb 0.00 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.83 1x69 s ASP 40 CO 0.00 -1.45 -0.24 -0.63 0.21 0.00 0.00 175.17 173.06 1x69 s ILE 41 N -2.83 2.01 0.00 0.77 -1.09 -1.26 -2.50 121.20 116.31 1x69 s ILE 41 Ca 0.62 -1.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.07 1x69 s ILE 41 Cb -0.07 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.08 1x69 s ILE 41 CO 0.40 0.56 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.82 1x69 s ILE 42 N -0.09 1.75 0.33 2.92 1.09 -0.71 -4.77 121.20 121.72 1x69 s ILE 42 Ca -0.05 -1.04 0.06 0.00 -1.10 0.00 0.00 60.65 58.51 1x69 s ILE 42 Cb -0.14 -1.47 -0.06 0.00 -1.06 0.00 0.00 42.46 39.72 1x69 s ILE 42 CO 0.04 0.40 -0.00 0.42 -0.10 0.00 0.00 174.94 175.71 1x69 s THR 43 N -0.61 1.56 -1.27 2.92 -4.23 -1.20 -2.58 115.64 110.23 1x69 s THR 43 Ca 0.08 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1x69 s THR 43 Cb -0.09 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1x69 s THR 43 CO 0.00 -0.12 1.06 0.59 -0.54 0.00 0.00 174.62 175.61 1x69 n ASN 44 N -0.71 -3.68 -4.69 3.99 5.03 0.36 -1.07 115.26 114.49 1x69 n ASN 44 Ca -0.04 -0.60 -0.42 0.00 0.87 0.00 0.00 54.58 54.39 1x69 n ASN 44 Cb 0.65 -5.06 -0.03 0.00 -1.02 0.00 0.00 39.78 34.33 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 -3.35 4.57 -0.36 2.41 1.01 -0.71 -3.61 121.20 121.16 1x69 s ILE 45 Ca 0.23 1.86 0.04 0.00 0.00 0.00 0.00 60.65 62.77 1x69 s ILE 45 Cb -0.10 -4.19 0.10 0.00 0.01 0.00 0.00 42.46 38.28 1x69 s ILE 45 CO 0.73 0.04 0.08 -1.61 0.00 0.00 0.00 174.94 174.18 1x69 s GLU 46 N 1.82 1.55 -0.66 2.79 0.41 0.16 -4.39 118.70 120.39 1x69 s GLU 46 Ca 0.52 -1.95 -0.29 0.00 -0.41 0.00 0.00 54.97 52.84 1x69 s GLU 46 Cb -0.22 -3.24 -0.13 0.00 -1.78 0.00 0.00 34.13 28.77 1x69 s GLU 46 CO 0.22 -0.96 2.49 -1.33 -0.49 0.00 0.00 175.26 175.18 1x69 n MET 47 N 4.15 0.66 -0.05 1.61 2.81 -1.26 -2.48 117.12 122.56 1x69 n MET 47 Ca 0.04 0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.96 1x69 n MET 47 Cb 0.41 -2.57 -0.00 0.00 -0.71 0.00 0.00 33.22 30.35 1x69 n MET 47 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1x69 h ILE 48 N 7.72 0.00 -4.08 2.02 1.08 -1.91 -3.49 117.51 118.85 1x69 h ILE 48 Ca -0.17 -0.87 -0.28 0.00 -0.39 0.00 0.00 64.86 63.15 1x69 h ILE 48 Cb 1.29 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 1x69 h ILE 48 CO 1.22 0.00 -0.22 -0.67 -0.69 0.00 0.00 178.15 177.79 1x69 n ASP 49 N -4.37 1.59 -1.30 1.72 2.03 -0.56 -5.02 116.55 110.64 1x69 n ASP 49 Ca -0.02 -2.04 -0.05 0.00 0.52 0.00 0.00 54.79 53.20 1x69 n ASP 49 Cb 0.07 0.39 0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1x69 n ASP 49 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1x69 n ASP 50 N -1.59 3.52 0.00 1.67 8.00 -1.26 -4.15 116.55 122.73 1x69 n ASP 50 Ca -0.05 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1x69 n ASP 50 Cb 0.30 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x69 n GLY 51 N 0.29 -0.55 3.74 0.44 0.00 -1.26 -5.07 105.19 102.78 1x69 n GLY 51 Ca 0.12 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.94 3.27 0.16 1.61 0.52 -1.26 0.32 118.94 121.62 1x69 s TRP 52 Ca 0.00 0.27 0.06 0.00 0.02 0.00 0.00 56.10 56.44 1x69 s TRP 52 Cb 0.00 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1x69 s TRP 52 CO 0.00 0.54 -0.12 -1.58 0.02 0.00 0.00 176.95 175.81 1x69 s TRP 53 N -0.96 1.41 -0.17 -1.98 0.51 0.73 -1.49 118.94 116.98 1x69 s TRP 53 Ca 0.15 -0.70 0.01 0.00 -2.12 0.00 0.00 56.10 53.44 1x69 s TRP 53 Cb -0.12 -0.69 0.01 0.00 -0.81 0.00 0.00 33.47 31.86 1x69 s TRP 53 CO 0.04 0.17 -0.18 1.03 -0.51 0.00 0.00 176.95 177.51 1x69 s ARG 54 N -3.70 3.08 0.19 4.98 0.52 -1.04 -1.18 118.95 121.80 1x69 s ARG 54 Ca 0.18 -0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 54.54 1x69 s ARG 54 Cb 0.01 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.85 1x69 s ARG 54 CO 0.03 -0.13 0.24 0.20 0.02 0.00 0.00 175.30 175.65 1x69 s GLY 55 N 1.15 0.87 -0.51 -3.53 0.00 -1.24 0.38 107.32 104.43 1x69 s GLY 55 Ca 0.01 -1.23 -0.19 0.00 0.00 0.00 0.00 44.72 43.32 1x69 s GLY 55 CO -0.08 -1.05 0.63 0.14 0.00 0.00 0.00 173.10 172.75 1x69 s VAL 56 N -4.05 4.88 -0.13 1.40 1.01 -0.23 -3.57 120.40 119.71 1x69 s VAL 56 Ca 0.26 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1x69 s VAL 56 Cb 0.04 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1x69 s VAL 56 CO 0.06 -0.84 -0.16 0.00 0.00 0.00 0.00 175.10 174.16 1x69 n LYS 58 N 3.68 -2.74 -2.51 0.00 5.02 -1.26 -0.31 118.16 120.04 1x69 n LYS 58 Ca -0.19 0.36 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1x69 n LYS 58 Cb 0.52 -4.97 0.01 0.00 -0.02 0.00 0.00 35.03 30.57 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 -0.89 0.77 3.14 0.72 0.00 -1.26 -5.07 105.19 102.60 1x69 n GLY 59 Ca -0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.94 0.26 -0.29 1.61 0.52 0.58 -5.13 118.95 111.56 1x69 s ARG 60 Ca 0.04 0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 55.95 1x69 s ARG 60 Cb -0.02 -0.02 0.05 0.00 0.52 0.00 0.00 34.95 35.48 1x69 s ARG 60 CO 0.06 -0.20 -0.02 -0.47 0.02 0.00 0.00 175.30 174.69 1x69 s TYR 61 N 1.68 3.25 0.21 -0.53 5.04 -1.25 -0.09 117.35 125.65 1x69 s TYR 61 Ca -0.06 -1.92 -0.05 0.00 -2.44 0.00 0.00 57.07 52.60 1x69 s TYR 61 Cb -0.10 -2.07 0.02 0.00 0.35 0.00 0.00 41.96 40.15 1x69 s TYR 61 CO -0.10 -0.81 0.37 0.41 -1.34 0.00 0.00 175.55 174.07 1x69 n GLY 62 N 4.60 1.89 3.74 8.97 0.00 -1.23 -4.96 105.19 118.19 1x69 n GLY 62 Ca -0.14 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 4.55 -0.09 0.99 1.43 0.43 -3.60 118.68 122.39 1x69 s LEU 63 Ca 0.12 1.84 -0.14 0.00 -1.03 0.00 0.00 54.13 54.92 1x69 s LEU 63 Cb -0.02 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.65 1x69 s LEU 63 CO 0.08 0.02 0.34 0.72 0.23 0.00 0.00 176.35 177.75 1x69 s PHE 64 N -0.42 -0.32 0.27 0.29 -0.12 -0.33 -2.42 117.98 114.93 1x69 s PHE 64 Ca 0.45 0.70 -0.29 0.00 -0.05 0.00 0.00 56.93 57.73 1x69 s PHE 64 Cb -0.24 0.12 -0.10 0.00 -0.63 0.00 0.00 43.02 42.18 1x69 s PHE 64 CO 0.30 -0.27 1.25 -1.25 -0.05 0.00 0.00 175.22 175.21 1x69 s PRO 65 N -0.40 4.44 0.00 1.99 0.04 -1.26 -0.19 135.00 139.61 1x69 s PRO 65 Ca -0.05 2.05 0.31 0.00 0.04 0.00 0.00 61.00 63.35 1x69 s PRO 65 Cb -0.03 -3.14 1.62 0.00 0.04 0.00 0.00 34.50 32.98 1x69 s PRO 65 CO 0.02 -0.11 2.09 0.00 0.04 0.00 0.00 177.00 179.04 1x69 n ALA 66 N 1.54 2.61 0.13 8.56 0.00 0.15 -3.46 120.51 130.03 1x69 n ALA 66 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1x69 n ALA 66 Cb 0.43 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 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 0.16 0.70 -0.09 0.00 2.35 -1.92 -3.21 115.58 113.57 1x69 h ASN 67 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 1x69 h ASN 67 Cb 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1x69 h ASN 67 CO 0.00 1.57 0.00 -1.22 -1.65 0.00 0.00 177.43 176.13 1x69 n TYR 68 N -3.66 0.19 -3.80 1.19 4.02 -1.23 -4.82 117.16 109.06 1x69 n TYR 68 Ca -0.13 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.90 57.58 1x69 n TYR 68 Cb 1.07 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 40.26 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 -1.62 0.11 -0.02 -0.72 -7.23 -1.21 -1.00 120.40 108.71 1x69 s VAL 69 Ca 0.07 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1x69 s VAL 69 Cb 0.04 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1x69 s VAL 69 CO 0.04 -0.51 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.48 1x69 s GLU 70 N -3.86 1.23 -0.10 4.82 2.12 0.12 -4.86 118.70 118.18 1x69 s GLU 70 Ca 0.06 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 1x69 s GLU 70 Cb 0.04 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 1x69 s GLU 70 CO -0.10 0.27 1.21 -0.51 -0.54 0.00 0.00 175.26 175.59 1x69 s LEU 71 N -0.21 4.24 0.28 2.70 1.43 -1.26 0.02 118.68 125.88 1x69 s LEU 71 Ca 0.03 1.75 -0.24 0.00 -1.03 0.00 0.00 54.13 54.64 1x69 s LEU 71 Cb -0.07 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 1x69 s LEU 71 CO -0.00 -0.64 0.86 -0.13 0.23 0.00 0.00 176.35 176.68 1x69 s ARG 72 N 2.63 4.49 -1.17 1.70 0.52 -0.90 -4.93 118.95 121.28 1x69 s ARG 72 Ca 0.55 1.18 -0.08 0.00 -0.52 0.00 0.00 55.73 56.85 1x69 s ARG 72 Cb -0.23 -2.87 0.24 0.00 0.52 0.00 0.00 34.95 32.60 1x69 s ARG 72 CO 0.19 0.34 1.51 1.04 0.02 0.00 0.00 175.30 178.41 1x69 n GLN 73 N 0.71 3.84 -1.56 3.54 1.13 -1.26 -4.78 117.38 119.00 1x69 n GLN 73 Ca -0.00 -4.11 -0.34 0.00 -1.94 0.00 0.00 57.00 50.61 1x69 n GLN 73 Cb 0.50 -2.74 0.08 0.00 0.11 0.00 0.00 30.24 28.19 1x69 n GLN 73 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1x69 s SER 74 N 0.47 4.49 0.00 1.08 1.04 -1.26 -4.99 113.70 114.52 1x69 s SER 74 Ca 0.36 2.28 0.00 0.00 0.48 0.00 0.00 55.95 59.07 1x69 s SER 74 Cb 0.02 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1x69 s SER 74 CO 0.02 -2.06 0.06 0.61 0.98 0.00 0.00 173.24 172.85 1x69 n GLY 75 N 0.20 -1.67 3.55 7.32 0.00 -1.26 -4.23 105.19 109.11 1x69 n GLY 75 Ca 0.13 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1x69 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x69 s PRO 76 N -0.12 2.60 -0.74 1.61 0.04 -1.26 -4.86 135.00 132.27 1x69 s PRO 76 Ca 0.00 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.31 1x69 s PRO 76 Cb 0.00 -4.61 0.14 0.00 0.04 0.00 0.00 34.50 30.06 1x69 s PRO 76 CO 0.00 -2.95 2.51 -1.13 0.04 0.00 0.00 177.00 175.47 1x69 n SER 77 N 13.17 7.03 -2.75 6.66 3.41 -1.26 -4.75 113.62 135.12 1x69 n SER 77 Ca 0.27 -3.32 -0.31 0.00 -0.26 0.00 0.00 58.87 55.25 1x69 n SER 77 Cb 0.50 -1.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.18 1x69 n SER 77 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x69 n SER 78 N 0.77 6.88 0.00 4.04 2.88 -1.26 -5.17 113.62 121.75 1x69 n SER 78 Ca 0.52 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1x69 n SER 78 Cb 0.42 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42