#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 0.00 0.08 1.61 0.87 -2.10 -3.42 113.55 110.59 1x69 h SER 2 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1x69 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x69 h SER 2 CO 0.00 0.55 -0.04 0.28 -0.53 0.00 0.00 176.83 177.09 1x69 h SER 3 N -1.00 -0.09 0.00 6.23 0.02 -2.10 -3.47 113.55 113.14 1x69 h SER 3 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1x69 h SER 3 Cb 0.09 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1x69 h SER 3 CO -0.00 0.48 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 1x69 n GLY 4 N 1.42 1.84 3.08 -3.77 0.00 -1.26 -5.00 105.19 101.50 1x69 n GLY 4 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1x69 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x69 s SER 5 N -3.36 1.14 -0.13 1.61 0.01 -1.26 -5.07 113.70 106.64 1x69 s SER 5 Ca 0.00 -0.47 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 1x69 s SER 5 Cb 0.00 -0.03 -0.12 0.00 0.21 0.00 0.00 66.02 66.08 1x69 s SER 5 CO 0.00 -0.09 0.32 -1.28 0.41 0.00 0.00 173.24 172.60 1x69 h SER 6 N 4.79 0.00 -5.00 2.44 0.87 -2.06 -3.48 113.55 111.11 1x69 h SER 6 Ca -0.36 -0.44 -0.13 0.00 -1.23 0.00 0.00 61.79 59.63 1x69 h SER 6 Cb 1.19 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.96 1x69 h SER 6 CO 0.43 0.79 -0.39 -0.83 -0.53 0.00 0.00 176.83 176.30 1x69 s GLY 7 N -3.96 -0.04 -0.06 5.77 0.00 -1.26 -5.16 107.32 102.62 1x69 s GLY 7 Ca -0.11 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.66 1x69 s GLY 7 CO 0.34 -0.15 -0.12 -0.51 0.00 0.00 0.00 173.10 172.66 1x69 s THR 8 N -1.57 3.28 0.56 0.90 -4.23 -1.26 -5.13 115.64 108.20 1x69 s THR 8 Ca -0.13 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 1x69 s THR 8 Cb -0.06 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.52 1x69 s THR 8 CO 0.02 0.59 0.79 -0.72 -0.54 0.00 0.00 174.62 174.75 1x69 s TYR 9 N -0.67 2.60 -0.25 3.99 1.13 -1.26 -5.12 117.35 117.77 1x69 s TYR 9 Ca 0.10 -0.13 -0.05 0.00 -1.41 0.00 0.00 57.07 55.59 1x69 s TYR 9 Cb -0.11 -2.72 0.13 0.00 -1.10 0.00 0.00 41.96 38.16 1x69 s TYR 9 CO 0.01 -0.96 0.49 -0.51 -2.51 0.00 0.00 175.55 172.07 1x69 s ASP 10 N -4.47 -0.53 -0.67 -0.18 1.01 -1.26 -5.09 116.67 105.47 1x69 s ASP 10 Ca 0.59 0.85 0.05 0.00 0.71 0.00 0.00 52.55 54.75 1x69 s ASP 10 Cb -0.09 1.64 0.17 0.00 1.01 0.00 0.00 42.92 45.65 1x69 s ASP 10 CO 0.39 -0.26 0.49 1.21 0.21 0.00 0.00 175.17 177.21 1x69 n GLU 11 N 5.40 1.68 -2.78 8.23 4.07 -1.26 -5.09 120.64 130.90 1x69 n GLU 11 Ca -0.06 -4.36 -0.22 0.00 -0.06 0.00 0.00 57.16 52.46 1x69 n GLU 11 Cb 0.50 -2.22 0.03 0.00 -0.06 0.00 0.00 31.44 29.69 1x69 n GLU 11 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1x69 s TYR 12 N -1.35 3.02 -0.85 4.31 5.04 -1.26 -4.98 117.35 121.29 1x69 s TYR 12 Ca 0.26 0.11 -0.25 0.00 -2.44 0.00 0.00 57.07 54.75 1x69 s TYR 12 Cb -0.03 -2.57 -0.07 0.00 0.35 0.00 0.00 41.96 39.65 1x69 s TYR 12 CO -0.17 -0.66 2.06 -1.21 -1.34 0.00 0.00 175.55 174.23 1x69 s GLU 13 N -4.68 2.33 0.38 4.97 2.02 -1.26 -4.94 118.70 117.52 1x69 s GLU 13 Ca 0.53 -0.01 -0.26 0.00 0.02 0.00 0.00 54.97 55.26 1x69 s GLU 13 Cb -0.10 -4.94 -0.09 0.00 0.10 0.00 0.00 34.13 29.10 1x69 s GLU 13 CO 0.38 -3.58 1.20 0.54 0.02 0.00 0.00 175.26 173.83 1x69 s ASN 14 N 8.79 6.58 -0.20 -0.19 4.22 -1.26 -5.04 114.94 127.84 1x69 s ASN 14 Ca 0.76 2.44 -0.07 0.00 -2.14 0.00 0.00 52.86 53.84 1x69 s ASN 14 Cb -0.09 -2.62 0.09 0.00 1.28 0.00 0.00 41.25 39.91 1x69 s ASN 14 CO 0.03 -0.65 0.44 -0.62 -2.04 0.00 0.00 177.10 174.27 1x69 s ASP 15 N -0.96 -0.35 -0.04 3.54 -1.08 -1.26 -5.01 116.67 111.51 1x69 s ASP 15 Ca 0.55 1.03 0.03 0.00 -0.52 0.00 0.00 52.55 53.64 1x69 s ASP 15 Cb -0.33 1.37 0.15 0.00 -1.46 0.00 0.00 42.92 42.65 1x69 s ASP 15 CO 0.42 -0.23 0.78 0.18 0.52 0.00 0.00 175.17 176.84 1x69 n LEU 16 N 5.29 1.73 0.00 -1.34 4.77 -1.26 -4.76 117.00 121.43 1x69 n LEU 16 Ca -0.10 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1x69 n LEU 16 Cb 0.50 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1x69 n LEU 16 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1x69 n GLY 17 N 0.19 1.70 3.80 -0.72 0.00 -1.26 -1.86 105.19 107.05 1x69 n GLY 17 Ca 0.05 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 4.84 -0.01 -0.61 1.01 -1.26 -4.82 121.20 120.36 1x69 s ILE 18 Ca 0.00 1.13 0.07 0.00 0.00 0.00 0.00 60.65 61.85 1x69 s ILE 18 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1x69 s ILE 18 CO 0.00 0.53 -0.22 0.42 0.00 0.00 0.00 174.94 175.67 1x69 s THR 19 N -0.88 1.73 0.17 2.92 -4.23 -1.26 -1.13 115.64 112.97 1x69 s THR 19 Ca 0.28 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1x69 s THR 19 Cb -0.19 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1x69 s THR 19 CO 0.17 0.44 0.03 0.00 -0.54 0.00 0.00 174.62 174.72 1x69 s ALA 20 N -0.57 1.27 -0.07 3.99 0.00 -1.18 -1.84 121.76 123.36 1x69 s ALA 20 Ca 0.08 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.49 1x69 s ALA 20 Cb -0.08 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1x69 s ALA 20 CO -0.00 -0.39 -0.23 0.54 0.00 0.00 0.00 175.76 175.68 1x69 s VAL 21 N -3.78 1.93 0.48 0.00 0.11 0.21 -1.88 120.40 117.46 1x69 s VAL 21 Ca 0.26 -0.97 -0.22 0.00 -2.93 0.00 0.00 61.98 58.12 1x69 s VAL 21 Cb 0.07 -1.65 -0.07 0.00 -1.53 0.00 0.00 36.38 33.19 1x69 s VAL 21 CO 0.05 0.54 1.19 0.00 -3.33 0.00 0.00 175.10 173.54 1x69 s ALA 22 N 0.11 2.92 -0.20 1.54 0.00 -0.36 0.27 121.76 126.05 1x69 s ALA 22 Ca -0.11 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 1x69 s ALA 22 Cb -0.15 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1x69 s ALA 22 CO 0.06 -0.77 -0.19 1.28 0.00 0.00 0.00 175.76 176.13 1x69 n LEU 23 N -0.64 2.62 -4.00 0.00 4.77 0.16 -1.20 117.00 118.70 1x69 n LEU 23 Ca 0.08 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1x69 n LEU 23 Cb 0.48 -0.66 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 1x69 n LEU 23 CO 0.48 0.73 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.58 1x69 s TYR 24 N -2.38 0.43 0.48 -1.77 1.51 -1.24 -4.49 117.35 109.89 1x69 s TYR 24 Ca -0.27 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.15 1x69 s TYR 24 Cb 0.08 -0.27 -0.11 0.00 -0.11 0.00 0.00 41.96 41.54 1x69 s TYR 24 CO 0.43 -0.11 0.59 -0.40 -1.11 0.00 0.00 175.55 174.95 1x69 n ASP 25 N 1.80 -0.69 -3.70 2.29 5.68 -1.26 -4.53 116.55 116.15 1x69 n ASP 25 Ca -0.21 0.86 -0.11 0.00 -0.50 0.00 0.00 54.79 54.82 1x69 n ASP 25 Cb 0.56 -1.16 -0.12 0.00 -1.14 0.00 0.00 41.12 39.26 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 -1.54 -0.52 -0.28 2.11 6.14 -1.09 -4.94 117.35 117.22 1x69 s TYR 26 Ca 0.65 1.13 -0.03 0.00 0.64 0.00 0.00 57.07 59.46 1x69 s TYR 26 Cb -0.54 0.17 0.03 0.00 0.42 0.00 0.00 41.96 42.04 1x69 s TYR 26 CO 0.57 -0.33 -0.01 1.14 0.64 0.00 0.00 175.55 177.56 1x69 s GLN 27 N 1.66 2.75 0.12 4.97 0.00 -1.26 -2.41 119.66 125.50 1x69 s GLN 27 Ca -0.07 -1.05 -0.25 0.00 -0.00 0.00 0.00 55.36 53.98 1x69 s GLN 27 Cb -0.10 -3.15 -0.15 0.00 0.00 0.00 0.00 33.01 29.62 1x69 s GLN 27 CO -0.11 -0.49 0.54 0.00 0.00 0.00 0.00 175.29 175.23 1x69 n ALA 28 N 4.70 -2.68 0.09 2.60 0.00 -1.17 -4.88 120.51 119.17 1x69 n ALA 28 Ca -0.15 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 1x69 n ALA 28 Cb 0.46 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 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 1.22 0.07 0.00 0.00 0.00 -1.88 -3.49 119.26 115.18 1x69 h ALA 29 Ca -0.28 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.57 1x69 h ALA 29 Cb 1.18 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1x69 h ALA 29 CO 0.48 0.92 0.00 0.41 0.00 0.00 0.00 179.25 181.06 1x69 n GLY 30 N 1.82 1.53 3.12 0.00 0.00 -1.26 -5.04 105.19 105.35 1x69 n GLY 30 Ca -0.23 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 2.43 -2.04 1.61 8.00 -1.26 -4.21 116.55 121.08 1x69 n ASP 31 Ca 0.00 -2.67 -0.08 0.00 0.71 0.00 0.00 54.79 52.75 1x69 n ASP 31 Cb 0.00 -1.07 -0.01 0.00 -0.02 0.00 0.00 41.12 40.01 1x69 n ASP 31 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1x69 n ASP 32 N 7.55 -2.62 -4.89 -2.24 8.00 -1.26 -4.56 116.55 116.54 1x69 n ASP 32 Ca 0.49 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.97 1x69 n ASP 32 Cb 0.40 -2.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.12 1x69 n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x69 s GLU 33 N -4.22 3.59 0.29 -1.24 2.02 -1.26 -0.70 118.70 117.19 1x69 s GLU 33 Ca 0.00 0.49 0.09 0.00 0.02 0.00 0.00 54.97 55.57 1x69 s GLU 33 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1x69 s GLU 33 CO 0.00 -0.38 0.05 0.96 0.02 0.00 0.00 175.26 175.91 1x69 s ILE 34 N -2.94 3.30 -0.15 -1.63 -4.36 -1.10 -4.74 121.20 109.58 1x69 s ILE 34 Ca 0.51 -1.83 0.02 0.00 -0.26 0.00 0.00 60.65 59.09 1x69 s ILE 34 Cb -0.11 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.71 1x69 s ILE 34 CO 0.49 -0.30 -0.20 -0.94 0.24 0.00 0.00 174.94 174.22 1x69 s SER 35 N -3.73 3.01 0.04 4.36 1.04 -1.26 -3.05 113.70 114.10 1x69 s SER 35 Ca 0.34 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1x69 s SER 35 Cb -0.05 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 1x69 s SER 35 CO 0.21 0.04 -0.08 0.72 0.98 0.00 0.00 173.24 175.11 1x69 s PHE 36 N 1.04 0.67 0.66 5.02 -0.12 -1.01 -4.94 117.98 119.29 1x69 s PHE 36 Ca -0.02 -0.52 -0.11 0.00 -0.05 0.00 0.00 56.93 56.23 1x69 s PHE 36 Cb -0.14 -0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1x69 s PHE 36 CO -0.06 -0.09 1.05 -0.51 -0.05 0.00 0.00 175.22 175.56 1x69 s ASP 37 N -1.64 5.88 0.26 1.98 1.01 -1.26 -2.68 116.67 120.22 1x69 s ASP 37 Ca -0.09 1.35 -0.30 0.00 0.71 0.00 0.00 52.55 54.23 1x69 s ASP 37 Cb -0.09 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 1x69 s ASP 37 CO 0.00 -1.09 1.26 -2.16 0.21 0.00 0.00 175.17 173.40 1x69 s PRO 38 N -5.22 4.43 -0.47 8.23 0.04 -1.26 -3.09 135.00 137.66 1x69 s PRO 38 Ca 0.56 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1x69 s PRO 38 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1x69 s PRO 38 CO 0.53 -0.14 0.00 -0.25 0.04 0.00 0.00 177.00 177.19 1x69 n ASP 39 N 1.75 -2.41 -4.98 6.66 8.00 -0.34 -4.95 116.55 120.29 1x69 n ASP 39 Ca 0.03 0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.34 1x69 n ASP 39 Cb 0.43 -1.62 -0.00 0.00 -0.02 0.00 0.00 41.12 39.91 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 -2.78 5.94 -0.05 -2.24 1.11 -1.18 -4.78 116.67 112.69 1x69 s ASP 40 Ca 0.00 -0.05 0.01 0.00 0.18 0.00 0.00 52.55 52.69 1x69 s ASP 40 Cb 0.00 -1.33 -0.03 0.00 1.07 0.00 0.00 42.92 42.63 1x69 s ASP 40 CO 0.00 -0.50 -0.06 -0.63 1.18 0.00 0.00 175.17 175.16 1x69 s ILE 41 N -2.28 3.72 0.06 0.77 -1.09 -1.26 -1.22 121.20 119.90 1x69 s ILE 41 Ca 0.46 -0.54 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 1x69 s ILE 41 Cb -0.10 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 1x69 s ILE 41 CO 0.33 0.55 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.75 1x69 s ILE 42 N -0.86 1.62 0.30 2.92 1.09 -0.79 -4.83 121.20 120.65 1x69 s ILE 42 Ca 0.14 -1.26 0.10 0.00 -1.10 0.00 0.00 60.65 58.53 1x69 s ILE 42 Cb -0.11 -1.43 -0.06 0.00 -1.06 0.00 0.00 42.46 39.80 1x69 s ILE 42 CO 0.03 0.12 -0.13 0.42 -0.10 0.00 0.00 174.94 175.28 1x69 s THR 43 N -0.89 2.24 -1.30 2.92 -4.23 -1.22 -3.12 115.64 110.04 1x69 s THR 43 Ca 0.07 -2.27 -0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1x69 s THR 43 Cb -0.09 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1x69 s THR 43 CO 0.02 -0.31 0.74 0.59 -0.54 0.00 0.00 174.62 175.12 1x69 n ASN 44 N -0.68 -1.30 -4.57 3.99 4.13 -0.78 -1.63 115.26 114.43 1x69 n ASN 44 Ca -0.05 -0.80 -0.43 0.00 1.68 0.00 0.00 54.58 54.98 1x69 n ASN 44 Cb 0.62 -4.17 -0.03 0.00 -1.54 0.00 0.00 39.78 34.65 1x69 n ASN 44 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x69 s ILE 45 N -3.63 4.26 -0.49 2.41 1.01 -0.28 -3.82 121.20 120.66 1x69 s ILE 45 Ca 0.01 0.83 -0.18 0.00 0.00 0.00 0.00 60.65 61.31 1x69 s ILE 45 Cb -0.01 -4.58 0.06 0.00 0.01 0.00 0.00 42.46 37.94 1x69 s ILE 45 CO 0.80 -1.07 0.55 -1.61 0.00 0.00 0.00 174.94 173.61 1x69 s GLU 46 N 4.31 3.08 -0.60 2.79 8.01 0.79 -4.14 118.70 132.94 1x69 s GLU 46 Ca 0.40 -0.99 -0.27 0.00 0.01 0.00 0.00 54.97 54.12 1x69 s GLU 46 Cb -0.09 -4.09 -0.01 0.00 -4.31 0.00 0.00 34.13 25.62 1x69 s GLU 46 CO 0.26 -1.14 1.76 -1.64 0.01 0.00 0.00 175.26 174.51 1x69 s MET 47 N 2.33 2.80 -0.09 1.61 -1.94 -1.26 -2.25 119.30 120.49 1x69 s MET 47 Ca 0.12 0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 54.66 1x69 s MET 47 Cb -0.20 -4.33 -0.00 0.00 2.01 0.00 0.00 34.83 32.30 1x69 s MET 47 CO 0.11 -2.53 -0.03 0.82 -0.01 0.00 0.00 175.02 173.38 1x69 h ILE 48 N 6.75 0.00 -4.50 2.53 5.03 -1.94 -3.49 117.51 121.89 1x69 h ILE 48 Ca -0.27 -0.89 -0.32 0.00 -0.12 0.00 0.00 64.86 63.26 1x69 h ILE 48 Cb 1.15 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.87 1x69 h ILE 48 CO 1.21 0.00 -0.24 -0.67 -0.68 0.00 0.00 178.15 177.77 1x69 n ASP 49 N -4.44 2.63 -2.03 1.72 -0.08 -1.16 -5.03 116.55 108.15 1x69 n ASP 49 Ca -0.01 -2.09 -0.22 0.00 -1.51 0.00 0.00 54.79 50.95 1x69 n ASP 49 Cb 0.04 0.19 0.09 0.00 2.34 0.00 0.00 41.12 43.77 1x69 n ASP 49 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1x69 n ASP 50 N -1.18 5.74 0.00 1.67 9.92 -1.26 -4.23 116.55 127.22 1x69 n ASP 50 Ca -0.10 -3.32 0.00 0.00 -0.53 0.00 0.00 54.79 50.83 1x69 n ASP 50 Cb 0.32 -0.92 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 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 -0.43 0.22 3.18 0.44 0.00 -1.26 -5.05 105.19 102.28 1x69 n GLY 51 Ca 0.45 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.01 1.32 0.19 1.61 0.52 -1.26 -1.09 118.94 119.21 1x69 s TRP 52 Ca 0.00 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.74 1x69 s TRP 52 Cb 0.00 -0.76 -0.05 0.00 -1.15 0.00 0.00 33.47 31.52 1x69 s TRP 52 CO 0.00 0.07 -0.02 -1.58 0.02 0.00 0.00 176.95 175.44 1x69 s TRP 53 N -1.07 1.34 -0.14 -1.98 0.51 0.51 -3.00 118.94 115.11 1x69 s TRP 53 Ca 0.01 -0.94 0.00 0.00 -2.12 0.00 0.00 56.10 53.06 1x69 s TRP 53 Cb -0.09 -0.75 0.02 0.00 -0.81 0.00 0.00 33.47 31.84 1x69 s TRP 53 CO 0.02 -0.10 -0.13 1.03 -0.51 0.00 0.00 176.95 177.26 1x69 s ARG 54 N -3.87 2.17 0.20 4.98 0.52 -0.95 -1.08 118.95 120.92 1x69 s ARG 54 Ca 0.24 -0.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1x69 s ARG 54 Cb 0.05 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1x69 s ARG 54 CO 0.05 -0.21 0.20 0.20 0.02 0.00 0.00 175.30 175.56 1x69 s GLY 55 N 1.44 1.14 -0.53 -3.53 0.00 -1.24 -0.15 107.32 104.45 1x69 s GLY 55 Ca 0.03 -1.45 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 1x69 s GLY 55 CO -0.09 -1.20 0.67 0.14 0.00 0.00 0.00 173.10 172.63 1x69 s VAL 56 N -4.11 4.81 -0.12 1.40 1.01 -0.65 -3.55 120.40 119.20 1x69 s VAL 56 Ca 0.32 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1x69 s VAL 56 Cb 0.05 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1x69 s VAL 56 CO 0.09 -0.89 -0.17 0.00 0.00 0.00 0.00 175.10 174.13 1x69 n LYS 58 N 3.51 -2.03 -2.97 0.00 5.02 -1.26 0.24 118.16 120.67 1x69 n LYS 58 Ca -0.18 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1x69 n LYS 58 Cb 0.53 -4.90 0.04 0.00 -0.02 0.00 0.00 35.03 30.68 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 -1.27 0.23 3.18 0.72 0.00 -1.26 -5.04 105.19 101.74 1x69 n GLY 59 Ca 0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.48 0.28 -0.27 1.61 0.52 0.14 -5.13 118.95 110.61 1x69 s ARG 60 Ca 0.24 0.86 -0.04 0.00 -0.52 0.00 0.00 55.73 56.27 1x69 s ARG 60 Cb -0.11 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.50 1x69 s ARG 60 CO 0.34 -0.23 -0.00 -0.47 0.02 0.00 0.00 175.30 174.95 1x69 s TYR 61 N 2.19 3.11 0.19 -0.53 5.04 -1.26 -0.15 117.35 125.94 1x69 s TYR 61 Ca -0.03 -1.35 -0.06 0.00 -2.44 0.00 0.00 57.07 53.18 1x69 s TYR 61 Cb -0.11 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.09 1x69 s TYR 61 CO -0.11 -0.68 0.36 0.41 -1.34 0.00 0.00 175.55 174.20 1x69 n GLY 62 N 4.74 1.73 3.75 8.97 0.00 -1.23 -4.97 105.19 118.18 1x69 n GLY 62 Ca -0.16 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 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 4.64 -0.13 0.99 1.43 0.12 -3.62 118.68 122.12 1x69 s LEU 63 Ca 0.09 1.91 -0.17 0.00 -1.03 0.00 0.00 54.13 54.93 1x69 s LEU 63 Cb -0.02 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1x69 s LEU 63 CO 0.07 0.16 0.44 0.72 0.23 0.00 0.00 176.35 177.97 1x69 s PHE 64 N -1.18 -0.44 0.19 0.29 -0.12 -0.24 -2.71 117.98 113.77 1x69 s PHE 64 Ca 0.40 1.00 -0.30 0.00 -0.05 0.00 0.00 56.93 57.98 1x69 s PHE 64 Cb -0.25 0.17 -0.09 0.00 -0.63 0.00 0.00 43.02 42.22 1x69 s PHE 64 CO 0.31 -0.30 1.31 -1.25 -0.05 0.00 0.00 175.22 175.24 1x69 s PRO 65 N -0.23 4.39 0.00 1.99 0.04 -1.26 -0.36 135.00 139.57 1x69 s PRO 65 Ca -0.04 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.30 1x69 s PRO 65 Cb -0.03 -3.20 1.30 0.00 0.04 0.00 0.00 34.50 32.61 1x69 s PRO 65 CO 0.02 -0.26 1.87 0.00 0.04 0.00 0.00 177.00 178.67 1x69 n ALA 66 N 2.78 2.30 0.08 8.56 0.00 -0.25 -3.11 120.51 130.86 1x69 n ALA 66 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1x69 n ALA 66 Cb 0.43 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 0.36 -0.22 0.00 2.35 -1.91 -3.10 115.58 113.06 1x69 h ASN 67 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1x69 h ASN 67 Cb 0.24 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1x69 h ASN 67 CO 0.00 1.15 0.00 -1.22 -1.65 0.00 0.00 177.43 175.71 1x69 n TYR 68 N -3.64 0.33 -4.13 1.19 4.02 -1.18 -4.86 117.16 108.89 1x69 n TYR 68 Ca -0.05 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.90 57.58 1x69 n TYR 68 Cb 0.87 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 40.07 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 -1.68 0.07 -0.04 -0.72 -7.23 -1.17 -0.67 120.40 108.96 1x69 s VAL 69 Ca 0.15 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1x69 s VAL 69 Cb 0.08 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1x69 s VAL 69 CO 0.09 -0.34 0.06 -0.70 -0.31 0.00 0.00 175.10 173.90 1x69 s GLU 70 N -4.06 -0.07 0.46 4.82 2.12 0.14 -4.84 118.70 117.28 1x69 s GLU 70 Ca 0.26 0.34 -0.23 0.00 0.36 0.00 0.00 54.97 55.70 1x69 s GLU 70 Cb 0.07 -0.45 -0.09 0.00 0.26 0.00 0.00 34.13 33.92 1x69 s GLU 70 CO 0.04 -0.29 1.11 1.28 -0.54 0.00 0.00 175.26 176.85 1x69 n LEU 71 N 5.06 3.44 -4.83 2.70 4.77 -1.26 -0.62 117.00 126.26 1x69 n LEU 71 Ca -0.09 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.61 1x69 n LEU 71 Cb 0.50 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.11 1x69 n LEU 71 CO 0.09 -1.23 -0.22 -0.13 -1.33 0.00 0.00 177.39 174.57 1x69 s ARG 72 N -2.27 3.07 -0.28 3.23 0.52 -0.77 -4.80 118.95 117.66 1x69 s ARG 72 Ca 0.65 -0.63 -0.17 0.00 -0.52 0.00 0.00 55.73 55.06 1x69 s ARG 72 Cb -0.51 -2.82 0.09 0.00 0.52 0.00 0.00 34.95 32.24 1x69 s ARG 72 CO 0.55 0.57 0.76 -1.14 0.02 0.00 0.00 175.30 176.06 1x69 s GLN 73 N -2.53 0.64 -0.30 3.54 0.74 -1.26 -4.84 119.66 115.65 1x69 s GLN 73 Ca 0.31 1.07 -0.17 0.00 0.05 0.00 0.00 55.36 56.62 1x69 s GLN 73 Cb -0.12 0.15 0.18 0.00 1.10 0.00 0.00 33.01 34.32 1x69 s GLN 73 CO 0.24 -0.13 1.12 0.45 -0.55 0.00 0.00 175.29 176.42 1x69 s SER 74 N 1.43 -0.36 0.47 6.67 0.15 -1.26 -5.18 113.70 115.62 1x69 s SER 74 Ca -0.09 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1x69 s SER 74 Cb -0.05 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1x69 s SER 74 CO -0.17 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1x69 n GLY 75 N 4.80 -2.83 0.22 9.45 0.00 -1.26 -4.93 105.19 110.64 1x69 n GLY 75 Ca -0.08 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 1x69 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x69 h PRO 76 N 0.00 0.53 -2.27 1.61 0.13 -2.09 -3.46 132.00 126.45 1x69 h PRO 76 Ca 0.00 -0.28 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1x69 h PRO 76 Cb 0.00 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 30.97 1x69 h PRO 76 CO 0.00 0.87 0.19 -1.12 -0.23 0.00 0.00 178.00 177.71 1x69 s SER 77 N -6.86 -0.63 0.27 1.44 0.01 -1.26 -5.19 113.70 101.48 1x69 s SER 77 Ca -0.07 0.52 -0.08 0.00 1.31 0.00 0.00 55.95 57.63 1x69 s SER 77 Cb 0.12 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.90 1x69 s SER 77 CO 0.82 -0.71 0.44 -0.94 0.41 0.00 0.00 173.24 173.27 1x69 s SER 78 N -1.61 0.23 0.00 2.44 1.04 -1.26 -5.19 113.70 109.35 1x69 s SER 78 Ca -0.08 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1x69 s SER 78 Cb -0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1x69 s SER 78 CO 0.04 -1.17 0.12 0.61 0.98 0.00 0.00 173.24 173.83