#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 0.02 -1.36 1.61 0.01 -1.26 -4.87 113.70 107.86 1x69 s SER 2 Ca 0.00 -0.83 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 1x69 s SER 2 Cb 0.00 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.69 1x69 s SER 2 CO 0.00 -0.89 1.10 -0.24 0.41 0.00 0.00 173.24 173.62 1x69 n SER 3 N -0.21 -5.17 0.17 2.44 2.88 -1.26 -4.72 113.62 107.75 1x69 n SER 3 Ca -0.08 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 1x69 n SER 3 Cb 0.63 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.27 1x69 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x69 n GLY 4 N -1.80 -1.54 3.50 0.46 0.00 -1.26 -5.13 105.19 99.41 1x69 n GLY 4 Ca -0.05 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x69 n SER 5 N -3.23 -0.32 -4.14 1.61 2.88 -1.26 -5.00 113.62 104.16 1x69 n SER 5 Ca 0.00 0.92 -0.10 0.00 -1.33 0.00 0.00 58.87 58.36 1x69 n SER 5 Cb 0.00 -1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 62.18 1x69 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x69 s SER 6 N -0.93 0.28 0.00 -3.46 1.04 -1.26 -5.10 113.70 104.27 1x69 s SER 6 Ca 0.64 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1x69 s SER 6 Cb -0.57 0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1x69 s SER 6 CO 0.57 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1x69 n GLY 7 N -0.11 0.13 3.66 7.32 0.00 -1.26 -5.14 105.19 109.78 1x69 n GLY 7 Ca -0.05 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 1x69 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x69 n THR 8 N 0.00 2.69 -2.65 2.61 5.66 -1.26 -4.96 114.28 116.37 1x69 n THR 8 Ca 0.00 -0.50 -0.33 0.00 -3.05 0.00 0.00 64.05 60.17 1x69 n THR 8 Cb 0.00 -1.36 -0.05 0.00 -1.55 0.00 0.00 70.33 67.37 1x69 n THR 8 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1x69 s TYR 9 N -1.26 3.32 -0.25 1.09 6.14 -1.26 -5.07 117.35 120.05 1x69 s TYR 9 Ca 0.64 1.56 -0.14 0.00 0.64 0.00 0.00 57.07 59.77 1x69 s TYR 9 Cb -0.52 -2.85 0.08 0.00 0.42 0.00 0.00 41.96 39.09 1x69 s TYR 9 CO 0.56 -0.27 0.62 0.34 0.64 0.00 0.00 175.55 177.44 1x69 s ASP 10 N -2.45 -0.84 0.08 4.32 2.15 -1.26 -5.14 116.67 113.52 1x69 s ASP 10 Ca 0.61 1.36 -0.31 0.00 0.43 0.00 0.00 52.55 54.65 1x69 s ASP 10 Cb -0.10 1.27 -0.06 0.00 -0.30 0.00 0.00 42.92 43.73 1x69 s ASP 10 CO 0.20 -0.23 1.26 -1.83 -0.17 0.00 0.00 175.17 174.39 1x69 s GLU 11 N 1.63 4.40 0.84 4.34 4.04 -1.26 -5.01 118.70 127.68 1x69 s GLU 11 Ca -0.10 1.86 -0.11 0.00 0.04 0.00 0.00 54.97 56.66 1x69 s GLU 11 Cb -0.06 -3.32 0.17 0.00 0.02 0.00 0.00 34.13 30.95 1x69 s GLU 11 CO -0.18 -0.31 0.39 2.48 -1.84 0.00 0.00 175.26 175.80 1x69 n TYR 12 N 3.93 -2.39 -3.77 4.83 4.11 -1.26 -5.05 117.16 117.56 1x69 n TYR 12 Ca 0.10 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.90 57.77 1x69 n TYR 12 Cb 0.45 -1.04 -0.06 0.00 -0.00 0.00 0.00 39.34 38.69 1x69 n TYR 12 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 1x69 s GLU 13 N -3.32 0.94 0.09 -3.48 1.03 -1.26 -5.06 118.70 107.64 1x69 s GLU 13 Ca 0.30 -0.86 -0.19 0.00 0.03 0.00 0.00 54.97 54.25 1x69 s GLU 13 Cb -0.05 0.39 -0.08 0.00 -0.80 0.00 0.00 34.13 33.59 1x69 s GLU 13 CO 0.25 -0.33 1.58 -0.91 -1.33 0.00 0.00 175.26 174.52 1x69 h ASN 14 N 2.59 0.35 -3.06 0.83 2.35 -2.08 -3.44 115.58 113.12 1x69 h ASN 14 Ca -0.34 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.11 1x69 h ASN 14 Cb 1.22 -0.09 -0.25 0.00 0.05 0.00 0.00 38.32 39.25 1x69 h ASN 14 CO 0.52 0.49 -0.21 -0.62 -1.65 0.00 0.00 177.43 175.96 1x69 s ASP 15 N -5.75 -0.64 0.00 5.81 -1.08 -1.26 -5.01 116.67 108.74 1x69 s ASP 15 Ca -0.14 1.10 0.09 0.00 -0.52 0.00 0.00 52.55 53.08 1x69 s ASP 15 Cb 0.07 1.04 0.51 0.00 -1.46 0.00 0.00 42.92 43.09 1x69 s ASP 15 CO 0.72 -0.21 1.15 0.18 0.52 0.00 0.00 175.17 177.54 1x69 n LEU 16 N 4.42 0.00 0.00 -1.34 4.32 -1.26 -4.78 117.00 118.35 1x69 n LEU 16 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 1x69 n LEU 16 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1x69 n LEU 16 CO 0.04 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.82 1x69 n GLY 17 N 0.39 0.84 3.77 -0.72 0.00 -1.26 -0.21 105.19 108.00 1x69 n GLY 17 Ca 0.06 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 3.47 0.19 -0.61 1.01 -1.26 -4.63 121.20 119.37 1x69 s ILE 18 Ca 0.00 1.19 0.08 0.00 0.00 0.00 0.00 60.65 61.92 1x69 s ILE 18 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1x69 s ILE 18 CO 0.00 0.07 -0.15 0.42 0.00 0.00 0.00 174.94 175.28 1x69 s THR 19 N -1.52 1.71 0.16 2.92 -4.23 -1.26 -1.59 115.64 111.82 1x69 s THR 19 Ca 0.57 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.84 1x69 s THR 19 Cb -0.26 -1.94 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1x69 s THR 19 CO 0.33 -0.52 0.41 0.00 -0.54 0.00 0.00 174.62 174.31 1x69 s ALA 20 N -2.68 -0.67 -0.12 3.99 0.00 -1.19 -2.28 121.76 118.81 1x69 s ALA 20 Ca 0.19 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1x69 s ALA 20 Cb -0.02 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1x69 s ALA 20 CO 0.06 -0.71 -0.19 0.54 0.00 0.00 0.00 175.76 175.46 1x69 s VAL 21 N -3.88 1.80 0.54 0.00 0.11 -0.60 -2.12 120.40 116.26 1x69 s VAL 21 Ca 0.09 -0.83 -0.22 0.00 -2.93 0.00 0.00 61.98 58.09 1x69 s VAL 21 Cb 0.01 -1.60 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1x69 s VAL 21 CO -0.05 0.50 1.37 0.00 -3.33 0.00 0.00 175.10 173.59 1x69 s ALA 22 N 0.78 2.85 -0.09 1.54 0.00 -1.08 0.19 121.76 125.94 1x69 s ALA 22 Ca -0.10 1.36 0.11 0.00 0.00 0.00 0.00 51.96 53.33 1x69 s ALA 22 Cb -0.16 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.23 1x69 s ALA 22 CO 0.01 -1.38 0.10 1.28 0.00 0.00 0.00 175.76 175.76 1x69 n LEU 23 N -0.98 0.00 -3.90 0.00 4.77 0.62 0.09 117.00 117.61 1x69 n LEU 23 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1x69 n LEU 23 Cb 0.45 0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1x69 n LEU 23 CO 0.53 0.23 -0.24 -0.31 -1.33 0.00 0.00 177.39 176.27 1x69 s TYR 24 N -2.42 0.09 0.08 -1.77 1.51 -1.20 -4.63 117.35 109.01 1x69 s TYR 24 Ca -0.06 -0.20 -0.32 0.00 -1.01 0.00 0.00 57.07 55.49 1x69 s TYR 24 Cb 0.05 -0.08 -0.11 0.00 -0.11 0.00 0.00 41.96 41.70 1x69 s TYR 24 CO 0.50 -0.22 1.82 -0.40 -1.11 0.00 0.00 175.55 176.14 1x69 n ASP 25 N 1.75 3.76 -4.70 2.29 5.75 -1.26 -4.36 116.55 119.78 1x69 n ASP 25 Ca -0.21 0.99 -0.23 0.00 -0.01 0.00 0.00 54.79 55.33 1x69 n ASP 25 Cb 0.56 -1.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.10 1x69 n ASP 25 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1x69 s TYR 26 N 2.87 2.69 -0.23 2.11 5.04 -0.95 -4.94 117.35 123.94 1x69 s TYR 26 Ca 0.84 -0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 55.09 1x69 s TYR 26 Cb -0.56 -1.54 0.12 0.00 0.35 0.00 0.00 41.96 40.34 1x69 s TYR 26 CO 0.41 0.41 0.33 -0.65 -1.34 0.00 0.00 175.55 174.71 1x69 s GLN 27 N -3.80 0.30 0.09 4.97 -1.52 -1.26 -3.95 119.66 114.50 1x69 s GLN 27 Ca 0.36 0.39 -0.36 0.00 -1.95 0.00 0.00 55.36 53.80 1x69 s GLN 27 Cb -0.03 -0.70 -0.16 0.00 -0.22 0.00 0.00 33.01 31.90 1x69 s GLN 27 CO 0.22 -0.68 1.41 0.00 -0.25 0.00 0.00 175.29 175.99 1x69 n ALA 28 N 5.35 -0.40 -0.77 6.09 0.00 -1.22 -4.87 120.51 124.70 1x69 n ALA 28 Ca -0.04 0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.97 1x69 n ALA 28 Cb 0.50 -2.15 0.24 0.00 0.00 0.00 0.00 19.45 18.04 1x69 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x69 n ALA 29 N 2.83 2.81 0.00 0.00 0.00 -1.26 -4.97 120.51 119.92 1x69 n ALA 29 Ca 0.18 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.65 1x69 n ALA 29 Cb 0.21 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1x69 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x69 n GLY 30 N -0.17 -0.58 2.72 0.00 0.00 -1.26 -5.00 105.19 100.90 1x69 n GLY 30 Ca 0.19 -2.08 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 1x69 n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x69 n ASP 31 N 0.00 -4.40 -1.13 1.61 8.00 -1.26 0.32 116.55 119.69 1x69 n ASP 31 Ca 0.00 -0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 1x69 n ASP 31 Cb 0.00 -3.67 -0.02 0.00 -0.02 0.00 0.00 41.12 37.40 1x69 n ASP 31 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x69 n ASP 32 N -2.04 -4.01 -4.85 -2.24 2.03 -1.26 -4.68 116.55 99.51 1x69 n ASP 32 Ca -0.12 0.12 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1x69 n ASP 32 Cb 0.61 -2.93 -0.04 0.00 -0.72 0.00 0.00 41.12 38.04 1x69 n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x69 s GLU 33 N -3.88 3.95 0.30 -0.67 2.02 0.15 -0.81 118.70 119.76 1x69 s GLU 33 Ca 0.00 0.87 0.09 0.00 0.02 0.00 0.00 54.97 55.95 1x69 s GLU 33 Cb 0.00 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1x69 s GLU 33 CO 0.00 -0.18 0.07 0.96 0.02 0.00 0.00 175.26 176.12 1x69 s ILE 34 N -2.50 3.26 -0.03 -1.63 -4.36 -1.06 -4.68 121.20 110.20 1x69 s ILE 34 Ca 0.58 -1.81 0.06 0.00 -0.26 0.00 0.00 60.65 59.22 1x69 s ILE 34 Cb -0.10 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 1x69 s ILE 34 CO 0.29 -0.28 -0.21 -0.44 0.24 0.00 0.00 174.94 174.53 1x69 s SER 35 N -3.75 2.54 0.02 4.36 0.01 -1.26 -3.39 113.70 112.22 1x69 s SER 35 Ca 0.34 -0.40 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 1x69 s SER 35 Cb -0.04 -0.43 0.01 0.00 0.21 0.00 0.00 66.02 65.77 1x69 s SER 35 CO 0.21 0.24 0.24 0.72 0.41 0.00 0.00 173.24 175.06 1x69 s PHE 36 N -0.35 -0.05 0.69 2.43 -0.12 -1.25 -4.94 117.98 114.37 1x69 s PHE 36 Ca 0.04 -0.03 -0.11 0.00 -0.05 0.00 0.00 56.93 56.78 1x69 s PHE 36 Cb -0.10 0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.32 1x69 s PHE 36 CO 0.00 -0.40 1.06 0.16 -0.05 0.00 0.00 175.22 176.00 1x69 s ASP 37 N -1.70 5.57 0.17 1.98 -4.77 -1.26 -2.23 116.67 114.43 1x69 s ASP 37 Ca -0.10 1.39 -0.30 0.00 -3.30 0.00 0.00 52.55 50.23 1x69 s ASP 37 Cb -0.04 -2.29 -0.08 0.00 -1.09 0.00 0.00 42.92 39.43 1x69 s ASP 37 CO 0.00 -1.29 1.32 -2.16 0.70 0.00 0.00 175.17 173.74 1x69 s PRO 38 N -5.18 4.37 -0.56 2.11 0.04 -1.26 -2.87 135.00 131.65 1x69 s PRO 38 Ca 0.57 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1x69 s PRO 38 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1x69 s PRO 38 CO 0.54 -0.30 0.00 -0.25 0.04 0.00 0.00 177.00 177.02 1x69 n ASP 39 N 3.08 -2.79 -4.54 6.66 9.92 0.11 -4.94 116.55 124.05 1x69 n ASP 39 Ca 0.08 0.03 -0.26 0.00 -0.53 0.00 0.00 54.79 54.11 1x69 n ASP 39 Cb 0.43 -1.81 0.13 0.00 -0.64 0.00 0.00 41.12 39.22 1x69 n ASP 39 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x69 s ASP 40 N -2.77 4.02 -0.11 -2.24 2.15 -1.14 -4.73 116.67 111.85 1x69 s ASP 40 Ca 0.00 0.04 0.03 0.00 0.43 0.00 0.00 52.55 53.05 1x69 s ASP 40 Cb 0.00 -0.37 -0.00 0.00 -0.30 0.00 0.00 42.92 42.25 1x69 s ASP 40 CO 0.00 -2.11 -0.21 -0.63 -0.17 0.00 0.00 175.17 172.05 1x69 s ILE 41 N -3.43 2.36 0.12 4.11 -1.09 -1.26 -2.65 121.20 119.36 1x69 s ILE 41 Ca 0.68 -0.91 0.10 0.00 -2.23 0.00 0.00 60.65 58.28 1x69 s ILE 41 Cb -0.06 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1x69 s ILE 41 CO 0.47 0.55 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.86 1x69 s ILE 42 N 0.34 2.00 0.12 2.92 1.09 -0.90 -4.73 121.20 122.04 1x69 s ILE 42 Ca -0.17 -1.65 0.01 0.00 -1.10 0.00 0.00 60.65 57.74 1x69 s ILE 42 Cb -0.17 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.40 1x69 s ILE 42 CO 0.08 0.02 -0.02 0.42 -0.10 0.00 0.00 174.94 175.34 1x69 s THR 43 N -1.10 0.54 -0.99 2.92 -4.23 -1.21 -3.16 115.64 108.41 1x69 s THR 43 Ca 0.10 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1x69 s THR 43 Cb -0.10 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.91 1x69 s THR 43 CO 0.05 -0.72 0.85 0.59 -0.54 0.00 0.00 174.62 174.86 1x69 n ASN 44 N -0.09 -4.55 -4.75 3.99 5.03 0.71 -1.80 115.26 113.80 1x69 n ASN 44 Ca -0.10 -0.42 -0.40 0.00 0.87 0.00 0.00 54.58 54.53 1x69 n ASN 44 Cb 0.62 -3.89 -0.04 0.00 -1.02 0.00 0.00 39.78 35.44 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 -3.24 3.54 -0.34 2.41 1.01 -0.62 -3.74 121.20 120.21 1x69 s ILE 45 Ca 0.34 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.50 1x69 s ILE 45 Cb -0.15 -3.95 0.10 0.00 0.01 0.00 0.00 42.46 38.47 1x69 s ILE 45 CO 0.54 0.33 0.09 -1.61 0.00 0.00 0.00 174.94 174.30 1x69 s GLU 46 N -1.19 1.14 -0.61 2.79 2.02 0.28 -4.14 118.70 118.98 1x69 s GLU 46 Ca 0.46 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.61 1x69 s GLU 46 Cb -0.32 -2.60 -0.12 0.00 0.10 0.00 0.00 34.13 31.19 1x69 s GLU 46 CO 0.40 -0.98 2.46 -1.33 0.02 0.00 0.00 175.26 175.83 1x69 n MET 47 N 4.43 0.77 -0.05 1.61 2.81 -1.26 -2.07 117.12 123.36 1x69 n MET 47 Ca 0.02 0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.95 1x69 n MET 47 Cb 0.41 -2.74 -0.00 0.00 -0.71 0.00 0.00 33.22 30.18 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 7.69 0.00 -3.82 2.02 1.08 -1.90 -3.48 117.51 119.10 1x69 h ILE 48 Ca -0.19 -0.88 -0.27 0.00 -0.39 0.00 0.00 64.86 63.13 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 1.20 0.00 -0.23 -0.67 -0.69 0.00 0.00 178.15 177.76 1x69 n ASP 49 N -4.41 0.78 -1.52 1.72 2.03 -0.45 -5.03 116.55 109.68 1x69 n ASP 49 Ca -0.02 -2.10 -0.09 0.00 0.52 0.00 0.00 54.79 53.10 1x69 n ASP 49 Cb 0.07 0.59 0.06 0.00 -0.72 0.00 0.00 41.12 41.12 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 -1.91 3.94 0.00 1.67 8.00 -1.26 -3.98 116.55 123.01 1x69 n ASP 50 Ca -0.01 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.84 1x69 n ASP 50 Cb 0.31 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 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 0.09 0.19 3.15 0.44 0.00 -1.26 -5.05 105.19 102.75 1x69 n GLY 51 Ca 0.21 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.00 1.31 0.37 1.61 0.52 -1.26 -0.54 118.94 119.95 1x69 s TRP 52 Ca 0.00 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1x69 s TRP 52 Cb 0.00 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 1x69 s TRP 52 CO 0.00 0.03 0.09 -1.58 0.02 0.00 0.00 176.95 175.51 1x69 s TRP 53 N -0.75 1.87 -0.11 -1.98 0.51 0.92 -1.33 118.94 118.06 1x69 s TRP 53 Ca 0.03 -1.10 -0.01 0.00 -2.12 0.00 0.00 56.10 52.90 1x69 s TRP 53 Cb -0.08 -1.23 0.03 0.00 -0.81 0.00 0.00 33.47 31.38 1x69 s TRP 53 CO 0.01 -0.12 -0.03 1.03 -0.51 0.00 0.00 176.95 177.33 1x69 s ARG 54 N -3.82 1.03 0.21 4.98 0.52 -0.88 -1.22 118.95 119.76 1x69 s ARG 54 Ca 0.30 -0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1x69 s ARG 54 Cb 0.06 -1.42 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 1x69 s ARG 54 CO 0.14 -0.34 0.26 0.20 0.02 0.00 0.00 175.30 175.59 1x69 s GLY 55 N 1.83 0.97 -0.52 -3.53 0.00 -1.24 0.10 107.32 104.93 1x69 s GLY 55 Ca 0.04 -1.29 -0.20 0.00 0.00 0.00 0.00 44.72 43.27 1x69 s GLY 55 CO -0.07 -1.06 0.68 0.14 0.00 0.00 0.00 173.10 172.79 1x69 s VAL 56 N -4.08 4.79 -0.13 1.40 1.01 -0.74 -3.55 120.40 119.11 1x69 s VAL 56 Ca 0.29 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1x69 s VAL 56 Cb 0.04 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1x69 s VAL 56 CO 0.09 -0.89 -0.16 0.00 0.00 0.00 0.00 175.10 174.13 1x69 n LYS 58 N 3.64 -2.73 -2.53 0.00 5.02 -1.26 -0.31 118.16 119.99 1x69 n LYS 58 Ca -0.19 0.38 -0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1x69 n LYS 58 Cb 0.53 -4.99 0.01 0.00 -0.02 0.00 0.00 35.03 30.56 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 -0.87 0.77 3.19 0.72 0.00 -1.26 -5.06 105.19 102.68 1x69 n GLY 59 Ca -0.05 -0.58 -0.11 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 -4.99 0.30 -0.29 1.61 0.52 0.58 -5.13 118.95 111.54 1x69 s ARG 60 Ca 0.04 0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 56.03 1x69 s ARG 60 Cb -0.02 0.05 0.04 0.00 0.52 0.00 0.00 34.95 35.54 1x69 s ARG 60 CO 0.06 -0.21 0.01 -0.47 0.02 0.00 0.00 175.30 174.72 1x69 s TYR 61 N 1.88 3.20 0.15 -0.53 6.14 -1.26 -0.14 117.35 126.80 1x69 s TYR 61 Ca -0.06 -1.60 -0.04 0.00 0.64 0.00 0.00 57.07 56.01 1x69 s TYR 61 Cb -0.10 -2.14 0.02 0.00 0.42 0.00 0.00 41.96 40.15 1x69 s TYR 61 CO -0.11 -0.74 0.28 0.41 0.64 0.00 0.00 175.55 176.02 1x69 n GLY 62 N 4.70 1.96 3.78 8.97 0.00 -1.23 -4.96 105.19 118.40 1x69 n GLY 62 Ca -0.14 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 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 4.49 -0.03 0.99 1.43 0.01 -3.61 118.68 121.96 1x69 s LEU 63 Ca 0.08 1.72 -0.26 0.00 -1.03 0.00 0.00 54.13 54.64 1x69 s LEU 63 Cb -0.01 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.65 1x69 s LEU 63 CO 0.06 0.09 0.58 0.72 0.23 0.00 0.00 176.35 178.03 1x69 s PHE 64 N -1.35 -0.52 0.25 0.29 -0.71 -0.36 -2.55 117.98 113.02 1x69 s PHE 64 Ca 0.42 0.86 -0.30 0.00 -1.04 0.00 0.00 56.93 56.88 1x69 s PHE 64 Cb -0.21 0.33 -0.09 0.00 -1.21 0.00 0.00 43.02 41.83 1x69 s PHE 64 CO 0.26 -0.56 1.27 -1.25 -1.34 0.00 0.00 175.22 173.60 1x69 s PRO 65 N -1.33 4.42 0.00 1.99 0.04 -1.26 -0.06 135.00 138.81 1x69 s PRO 65 Ca -0.11 2.05 0.31 0.00 0.04 0.00 0.00 61.00 63.29 1x69 s PRO 65 Cb -0.01 -3.16 1.72 0.00 0.04 0.00 0.00 34.50 33.09 1x69 s PRO 65 CO 0.08 -0.16 2.13 0.00 0.04 0.00 0.00 177.00 179.09 1x69 n ALA 66 N 1.92 2.66 0.02 8.56 0.00 0.30 -3.46 120.51 130.51 1x69 n ALA 66 Ca 0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 1x69 n ALA 66 Cb 0.43 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.27 1x69 n ALA 66 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1x69 h ASN 67 N 0.32 0.40 0.07 0.00 -1.07 -1.91 -3.32 115.58 110.06 1x69 h ASN 67 Ca 0.00 -0.77 0.00 0.00 0.07 0.00 0.00 56.30 55.60 1x69 h ASN 67 Cb 0.11 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 1x69 h ASN 67 CO 0.00 1.67 0.00 -1.22 0.07 0.00 0.00 177.43 177.95 1x69 n TYR 68 N -3.44 0.00 -4.37 4.14 4.01 -1.22 -4.72 117.16 111.56 1x69 n TYR 68 Ca -0.26 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.29 1x69 n TYR 68 Cb 1.05 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.91 1x69 n TYR 68 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1x69 s VAL 69 N -2.14 0.78 -0.15 -0.72 -7.23 -1.25 -0.27 120.40 109.42 1x69 s VAL 69 Ca 0.20 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1x69 s VAL 69 Cb 0.10 -2.69 0.04 0.00 0.56 0.00 0.00 36.38 34.38 1x69 s VAL 69 CO 0.18 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.24 1x69 s GLU 70 N -3.98 1.22 -0.15 4.82 2.12 0.13 -4.78 118.70 118.07 1x69 s GLU 70 Ca 0.37 -0.37 -0.38 0.00 0.36 0.00 0.00 54.97 54.95 1x69 s GLU 70 Cb 0.08 -1.80 -0.15 0.00 0.26 0.00 0.00 34.13 32.52 1x69 s GLU 70 CO 0.14 -0.42 1.69 1.28 -0.54 0.00 0.00 175.26 177.42 1x69 n LEU 71 N 4.95 2.50 -4.67 2.70 4.77 -1.26 -1.56 117.00 124.43 1x69 n LEU 71 Ca -0.11 1.06 -0.43 0.00 -0.03 0.00 0.00 56.01 56.51 1x69 n LEU 71 Cb 0.48 -1.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 1x69 n LEU 71 CO 0.15 -0.46 1.13 -0.13 -1.33 0.00 0.00 177.39 176.75 1x69 s ARG 72 N 2.94 4.24 -0.36 3.23 1.81 -0.97 -4.89 118.95 124.96 1x69 s ARG 72 Ca 0.94 1.81 -0.34 0.00 -1.72 0.00 0.00 55.73 56.42 1x69 s ARG 72 Cb -0.95 -3.75 -0.11 0.00 -0.45 0.00 0.00 34.95 29.68 1x69 s ARG 72 CO 0.58 -0.68 2.21 1.04 -0.68 0.00 0.00 175.30 177.77 1x69 n GLN 73 N 6.35 1.09 0.00 3.54 3.00 -1.26 -4.77 117.38 125.34 1x69 n GLN 73 Ca 0.14 0.28 0.07 0.00 -0.01 0.00 0.00 57.00 57.48 1x69 n GLN 73 Cb 0.44 -2.51 0.36 0.00 0.00 0.00 0.00 30.24 28.53 1x69 n GLN 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1x69 n SER 74 N 10.16 0.00 -4.44 1.08 3.41 -1.26 -4.67 113.62 117.91 1x69 n SER 74 Ca 0.41 -0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.71 1x69 n SER 74 Cb 0.24 -0.23 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 1x69 n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x69 s GLY 75 N -2.47 1.53 -0.80 5.00 0.00 -1.26 -5.06 107.32 104.27 1x69 s GLY 75 Ca 0.14 -1.19 -0.25 0.00 0.00 0.00 0.00 44.72 43.42 1x69 s GLY 75 CO 0.20 -1.07 1.92 2.56 0.00 0.00 0.00 173.10 176.70 1x69 s PRO 76 N -1.34 2.58 -0.30 2.90 0.04 -1.26 -4.87 135.00 132.75 1x69 s PRO 76 Ca 0.14 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.08 1x69 s PRO 76 Cb -0.10 -4.83 0.13 0.00 0.04 0.00 0.00 34.50 29.74 1x69 s PRO 76 CO 0.04 -3.15 0.77 0.45 0.04 0.00 0.00 177.00 175.15 1x69 s SER 77 N 8.05 -0.93 -0.12 6.66 0.15 -1.26 -5.06 113.70 121.19 1x69 s SER 77 Ca 0.69 1.31 -0.27 0.00 0.70 0.00 0.00 55.95 58.39 1x69 s SER 77 Cb -0.09 1.93 -0.27 0.00 -1.71 0.00 0.00 66.02 65.88 1x69 s SER 77 CO 0.07 -0.19 0.75 0.77 1.20 0.00 0.00 173.24 175.84 1x69 h SER 78 N 7.58 0.11 0.00 5.45 4.64 -2.02 -3.50 113.55 125.82 1x69 h SER 78 Ca -0.20 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.17 1x69 h SER 78 Cb 1.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1x69 h SER 78 CO 0.11 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.82