#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 0.03 -4.13 1.61 0.87 -2.09 -3.46 113.55 106.37 1x69 h SER 2 Ca 0.00 -0.97 -0.47 0.00 -1.23 0.00 0.00 61.79 59.11 1x69 h SER 2 Cb 0.00 -0.01 0.14 0.00 -0.44 0.00 0.00 62.40 62.09 1x69 h SER 2 CO 0.00 1.00 0.27 -0.44 -0.53 0.00 0.00 176.83 177.13 1x69 s SER 3 N -6.24 3.58 0.00 6.23 0.01 -1.26 -4.92 113.70 111.10 1x69 s SER 3 Ca -0.19 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1x69 s SER 3 Cb -0.03 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1x69 s SER 3 CO 0.70 -2.54 0.00 0.61 0.41 0.00 0.00 173.24 172.42 1x69 n GLY 4 N -1.62 -0.96 3.67 3.44 0.00 -1.26 -5.11 105.19 103.35 1x69 n GLY 4 Ca 0.06 0.44 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.00 6.94 0.28 1.61 0.01 -1.26 -4.99 113.70 112.29 1x69 s SER 5 Ca 0.00 1.15 -0.24 0.00 1.31 0.00 0.00 55.95 58.17 1x69 s SER 5 Cb 0.00 -2.45 -0.16 0.00 0.21 0.00 0.00 66.02 63.62 1x69 s SER 5 CO 0.00 -0.42 0.32 -1.54 0.41 0.00 0.00 173.24 172.02 1x69 n SER 6 N 5.37 -1.90 0.00 2.44 3.41 -1.26 -4.86 113.62 116.81 1x69 n SER 6 Ca 0.05 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1x69 n SER 6 Cb 0.49 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1x69 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x69 n GLY 7 N 2.09 -0.63 3.43 5.00 0.00 -1.26 -5.15 105.19 108.68 1x69 n GLY 7 Ca 0.15 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 1x69 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x69 s THR 8 N 0.00 4.08 -0.16 2.61 -4.23 -1.26 -4.98 115.64 111.70 1x69 s THR 8 Ca 0.00 -0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.11 1x69 s THR 8 Cb 0.00 -2.89 -0.23 0.00 1.34 0.00 0.00 72.50 70.72 1x69 s THR 8 CO 0.00 0.38 0.32 0.22 -0.54 0.00 0.00 174.62 174.99 1x69 h TYR 9 N 8.02 0.26 -6.12 3.99 5.03 -2.03 -3.47 116.97 122.65 1x69 h TYR 9 Ca -0.38 -0.19 -0.39 0.00 2.58 0.00 0.00 58.73 60.34 1x69 h TYR 9 Cb 1.17 -0.01 -0.19 0.00 1.55 0.00 0.00 36.73 39.25 1x69 h TYR 9 CO 0.64 1.63 -0.57 -0.25 -1.32 0.00 0.00 178.16 178.28 1x69 n ASP 10 N -3.96 -2.26 -4.64 -2.11 9.92 -1.26 -4.75 116.55 107.48 1x69 n ASP 10 Ca -0.31 -0.55 -0.50 0.00 -0.53 0.00 0.00 54.79 52.90 1x69 n ASP 10 Cb 0.87 -1.95 -0.05 0.00 -0.64 0.00 0.00 41.12 39.34 1x69 n ASP 10 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1x69 n GLU 11 N -3.59 1.79 -2.84 -1.24 4.07 -1.26 -4.93 120.64 112.64 1x69 n GLU 11 Ca 0.05 0.63 -0.36 0.00 -0.06 0.00 0.00 57.16 57.41 1x69 n GLU 11 Cb 0.49 -2.55 -0.06 0.00 -0.06 0.00 0.00 31.44 29.26 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 4.80 3.65 -0.09 4.31 5.04 -1.26 -5.06 117.35 128.74 1x69 s TYR 12 Ca 0.97 1.70 0.01 0.00 -2.44 0.00 0.00 57.07 57.31 1x69 s TYR 12 Cb -0.77 -2.86 -0.02 0.00 0.35 0.00 0.00 41.96 38.66 1x69 s TYR 12 CO 0.53 0.20 -0.11 -2.00 -1.34 0.00 0.00 175.55 172.83 1x69 s GLU 13 N -2.15 2.94 0.18 4.97 2.56 -1.26 -5.03 118.70 120.91 1x69 s GLU 13 Ca 0.50 -0.64 -0.27 0.00 0.00 0.00 0.00 54.97 54.56 1x69 s GLU 13 Cb -0.17 -2.56 0.02 0.00 2.00 0.00 0.00 34.13 33.42 1x69 s GLU 13 CO 0.22 0.47 1.55 -0.91 -0.56 0.00 0.00 175.26 176.03 1x69 h ASN 14 N 5.86 -1.84 -3.61 -1.70 2.35 -2.06 -3.40 115.58 111.19 1x69 h ASN 14 Ca -0.39 0.30 -0.33 0.00 -0.55 0.00 0.00 56.30 55.33 1x69 h ASN 14 Cb 1.18 0.84 -0.32 0.00 0.05 0.00 0.00 38.32 40.07 1x69 h ASN 14 CO 0.54 -0.28 -0.75 -0.62 -1.65 0.00 0.00 177.43 174.67 1x69 s ASP 15 N -5.36 0.46 -0.09 5.81 -1.08 -1.26 -5.02 116.67 110.14 1x69 s ASP 15 Ca -0.13 -0.05 0.15 0.00 -0.52 0.00 0.00 52.55 52.00 1x69 s ASP 15 Cb 0.13 -0.19 0.52 0.00 -1.46 0.00 0.00 42.92 41.93 1x69 s ASP 15 CO 0.65 -0.05 1.44 0.18 0.52 0.00 0.00 175.17 177.91 1x69 n LEU 16 N 3.73 3.86 0.00 -1.34 4.77 -1.26 -4.89 117.00 121.87 1x69 n LEU 16 Ca -0.22 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1x69 n LEU 16 Cb 0.53 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1x69 n LEU 16 CO 0.24 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1x69 n GLY 17 N 0.44 0.88 3.77 -0.72 0.00 -1.26 -1.34 105.19 106.97 1x69 n GLY 17 Ca 0.19 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 3.10 0.08 -0.61 1.01 -1.26 -4.64 121.20 118.87 1x69 s ILE 18 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.69 1x69 s ILE 18 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1x69 s ILE 18 CO 0.00 0.14 -0.15 0.42 0.00 0.00 0.00 174.94 175.35 1x69 s THR 19 N -1.33 1.25 0.09 2.92 -4.23 -1.26 -2.23 115.64 110.85 1x69 s THR 19 Ca 0.54 -1.41 -0.18 0.00 -1.18 0.00 0.00 61.69 59.46 1x69 s THR 19 Cb -0.33 -1.23 0.04 0.00 1.34 0.00 0.00 72.50 72.32 1x69 s THR 19 CO 0.42 -0.23 0.42 0.00 -0.54 0.00 0.00 174.62 174.69 1x69 s ALA 20 N -1.39 -1.01 -0.03 3.99 0.00 -1.10 -0.65 121.76 121.57 1x69 s ALA 20 Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1x69 s ALA 20 Cb -0.09 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1x69 s ALA 20 CO 0.03 -0.56 -0.20 0.54 0.00 0.00 0.00 175.76 175.57 1x69 s VAL 21 N -3.18 2.61 0.31 0.00 0.11 0.22 -1.70 120.40 118.77 1x69 s VAL 21 Ca -0.01 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 57.84 1x69 s VAL 21 Cb 0.01 -1.98 -0.10 0.00 -1.53 0.00 0.00 36.38 32.78 1x69 s VAL 21 CO -0.07 0.57 1.14 0.00 -3.33 0.00 0.00 175.10 173.41 1x69 s ALA 22 N -0.69 3.38 -0.17 1.54 0.00 -1.12 0.05 121.76 124.75 1x69 s ALA 22 Ca 0.11 0.96 0.14 0.00 0.00 0.00 0.00 51.96 53.17 1x69 s ALA 22 Cb -0.10 -3.36 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 1x69 s ALA 22 CO 0.00 -0.29 0.18 1.28 0.00 0.00 0.00 175.76 176.94 1x69 n LEU 23 N 0.92 0.66 -3.91 0.00 4.77 0.67 0.97 117.00 121.07 1x69 n LEU 23 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1x69 n LEU 23 Cb 0.45 0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 1x69 n LEU 23 CO 0.54 0.54 -0.21 -0.31 -1.33 0.00 0.00 177.39 176.62 1x69 s TYR 24 N -2.52 0.15 0.14 -1.77 1.51 -1.24 -4.60 117.35 109.02 1x69 s TYR 24 Ca -0.12 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.24 1x69 s TYR 24 Cb 0.07 -0.12 -0.10 0.00 -0.11 0.00 0.00 41.96 41.70 1x69 s TYR 24 CO 0.80 -0.33 1.75 0.16 -1.11 0.00 0.00 175.55 176.83 1x69 s ASP 25 N -1.83 6.45 0.15 2.29 -4.77 -1.26 -4.37 116.67 113.33 1x69 s ASP 25 Ca -0.09 2.73 0.11 0.00 -3.30 0.00 0.00 52.55 52.00 1x69 s ASP 25 Cb -0.04 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 1x69 s ASP 25 CO -0.02 -0.96 -0.24 -0.47 0.70 0.00 0.00 175.17 174.18 1x69 s TYR 26 N 2.22 2.36 -0.32 2.11 6.14 -1.08 -4.95 117.35 123.83 1x69 s TYR 26 Ca 0.77 -0.34 -0.01 0.00 0.64 0.00 0.00 57.07 58.13 1x69 s TYR 26 Cb -0.46 -1.23 0.10 0.00 0.42 0.00 0.00 41.96 40.79 1x69 s TYR 26 CO 0.34 0.41 0.12 -0.65 0.64 0.00 0.00 175.55 176.41 1x69 s GLN 27 N -2.32 0.69 -0.37 4.97 -1.52 -1.26 -3.53 119.66 116.32 1x69 s GLN 27 Ca 0.17 -1.09 -0.43 0.00 -1.95 0.00 0.00 55.36 52.07 1x69 s GLN 27 Cb -0.09 -1.89 -0.17 0.00 -0.22 0.00 0.00 33.01 30.63 1x69 s GLN 27 CO 0.08 -1.01 1.71 0.00 -0.25 0.00 0.00 175.29 175.82 1x69 n ALA 28 N 4.77 -0.59 -0.35 6.09 0.00 -1.25 -4.82 120.51 124.36 1x69 n ALA 28 Ca -0.01 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1x69 n ALA 28 Cb 0.41 -2.12 0.14 0.00 0.00 0.00 0.00 19.45 17.89 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 6.50 1.33 -3.00 0.00 0.00 -1.92 -3.46 119.26 118.71 1x69 h ALA 29 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1x69 h ALA 29 Cb 1.34 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1x69 h ALA 29 CO 0.97 0.61 0.00 0.41 0.00 0.00 0.00 179.25 181.25 1x69 n GLY 30 N -1.39 6.25 0.12 0.00 0.00 -1.26 -5.07 105.19 103.85 1x69 n GLY 30 Ca 0.12 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 1x69 n GLY 30 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x69 h ASP 31 N 0.00 0.52 -0.48 1.61 1.82 -2.03 -3.34 116.42 114.52 1x69 h ASP 31 Ca 0.00 -0.95 0.10 0.00 -0.39 0.00 0.00 57.03 55.79 1x69 h ASP 31 Cb 0.00 -0.17 -0.10 0.00 0.68 0.00 0.00 39.33 39.75 1x69 h ASP 31 CO 0.00 1.45 -0.17 0.44 -1.61 0.00 0.00 179.24 179.35 1x69 h ASP 32 N -0.30 -0.59 -4.18 2.28 3.32 -1.96 -3.41 116.42 111.58 1x69 h ASP 32 Ca -0.17 0.16 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1x69 h ASP 32 Cb 1.72 0.35 0.07 0.00 0.22 0.00 0.00 39.33 41.70 1x69 h ASP 32 CO 0.17 -0.20 0.38 -1.61 -1.72 0.00 0.00 179.24 176.26 1x69 s GLU 33 N -6.18 3.20 0.09 3.56 2.02 -1.26 -1.78 118.70 118.35 1x69 s GLU 33 Ca -0.14 1.30 0.05 0.00 0.02 0.00 0.00 54.97 56.20 1x69 s GLU 33 Cb 0.16 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1x69 s GLU 33 CO 0.71 -0.92 -0.02 0.96 0.02 0.00 0.00 175.26 176.01 1x69 s ILE 34 N -2.34 3.87 -0.17 -1.63 -4.36 -1.02 -4.74 121.20 110.80 1x69 s ILE 34 Ca 0.65 -1.06 -0.01 0.00 -0.26 0.00 0.00 60.65 59.97 1x69 s ILE 34 Cb -0.18 -2.84 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 1x69 s ILE 34 CO 0.36 0.12 -0.11 -0.94 0.24 0.00 0.00 174.94 174.62 1x69 s SER 35 N -2.29 4.00 0.14 4.36 1.04 -1.26 -3.81 113.70 115.88 1x69 s SER 35 Ca 0.25 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1x69 s SER 35 Cb -0.12 -1.64 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1x69 s SER 35 CO 0.17 0.07 -0.05 0.72 0.98 0.00 0.00 173.24 175.14 1x69 s PHE 36 N 0.93 1.09 0.54 5.02 -0.12 -1.23 -4.95 117.98 119.26 1x69 s PHE 36 Ca -0.02 -0.93 -0.07 0.00 -0.05 0.00 0.00 56.93 55.87 1x69 s PHE 36 Cb -0.15 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.61 1x69 s PHE 36 CO -0.01 -0.13 0.87 0.16 -0.05 0.00 0.00 175.22 176.06 1x69 s ASP 37 N -3.12 6.09 0.14 1.98 1.47 -1.26 -2.62 116.67 119.35 1x69 s ASP 37 Ca 0.17 0.99 -0.31 0.00 1.18 0.00 0.00 52.55 54.58 1x69 s ASP 37 Cb 0.05 -2.17 -0.08 0.00 -0.34 0.00 0.00 42.92 40.38 1x69 s ASP 37 CO -0.00 -0.76 1.34 -2.16 0.68 0.00 0.00 175.17 174.27 1x69 s PRO 38 N -4.90 4.35 -0.45 2.11 0.04 -1.26 -2.92 135.00 131.97 1x69 s PRO 38 Ca 0.51 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 1x69 s PRO 38 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1x69 s PRO 38 CO 0.47 -0.35 0.00 -3.47 0.04 0.00 0.00 177.00 173.69 1x69 n ASP 39 N 3.47 -2.26 -4.66 6.66 -0.08 0.27 -4.94 116.55 115.01 1x69 n ASP 39 Ca 0.09 -0.01 -0.25 0.00 -1.51 0.00 0.00 54.79 53.12 1x69 n ASP 39 Cb 0.43 -1.62 0.11 0.00 2.34 0.00 0.00 41.12 42.37 1x69 n ASP 39 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x69 s ASP 40 N -2.76 4.32 -0.10 1.67 2.15 -1.15 -4.75 116.67 116.05 1x69 s ASP 40 Ca 0.00 -0.10 0.02 0.00 0.43 0.00 0.00 52.55 52.90 1x69 s ASP 40 Cb -0.00 -0.33 -0.01 0.00 -0.30 0.00 0.00 42.92 42.28 1x69 s ASP 40 CO 0.00 -1.88 -0.17 -0.63 -0.17 0.00 0.00 175.17 172.32 1x69 s ILE 41 N -3.24 2.74 0.05 4.11 -1.09 -1.26 -2.78 121.20 119.73 1x69 s ILE 41 Ca 0.66 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 58.35 1x69 s ILE 41 Cb -0.06 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.68 1x69 s ILE 41 CO 0.45 0.55 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.89 1x69 s ILE 42 N 0.12 1.52 0.08 2.92 1.09 -0.69 -4.70 121.20 121.54 1x69 s ILE 42 Ca -0.08 -1.22 0.01 0.00 -1.10 0.00 0.00 60.65 58.26 1x69 s ILE 42 Cb -0.15 -1.35 -0.04 0.00 -1.06 0.00 0.00 42.46 39.86 1x69 s ILE 42 CO 0.05 0.09 -0.06 0.42 -0.10 0.00 0.00 174.94 175.35 1x69 s THR 43 N -0.90 0.53 -0.91 2.92 -4.23 -1.22 -2.71 115.64 109.13 1x69 s THR 43 Ca 0.05 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1x69 s THR 43 Cb -0.09 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1x69 s THR 43 CO 0.02 -0.86 0.78 0.59 -0.54 0.00 0.00 174.62 174.61 1x69 n ASN 44 N 0.16 -3.79 -4.82 3.99 4.13 -0.45 -1.82 115.26 112.67 1x69 n ASN 44 Ca -0.14 -0.40 -0.33 0.00 1.68 0.00 0.00 54.58 55.39 1x69 n ASN 44 Cb 0.60 -3.73 -0.02 0.00 -1.54 0.00 0.00 39.78 35.09 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 -3.24 4.15 -0.04 2.41 1.01 -1.01 -3.59 121.20 120.89 1x69 s ILE 45 Ca 0.24 1.11 0.03 0.00 0.00 0.00 0.00 60.65 62.03 1x69 s ILE 45 Cb -0.10 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1x69 s ILE 45 CO 0.51 -0.51 -0.13 -1.61 0.00 0.00 0.00 174.94 173.21 1x69 s GLU 46 N -3.82 1.40 -0.55 2.79 0.41 0.63 -4.46 118.70 115.11 1x69 s GLU 46 Ca 0.62 -0.45 -0.18 0.00 -0.41 0.00 0.00 54.97 54.56 1x69 s GLU 46 Cb -0.13 -1.24 0.10 0.00 -1.78 0.00 0.00 34.13 31.08 1x69 s GLU 46 CO 0.29 0.16 0.59 -1.64 -0.49 0.00 0.00 175.26 174.17 1x69 s MET 47 N 0.19 3.03 -0.12 1.61 -1.94 -1.26 -1.18 119.30 119.63 1x69 s MET 47 Ca -0.05 -1.36 -0.14 0.00 -1.71 0.00 0.00 55.69 52.43 1x69 s MET 47 Cb -0.11 -4.23 -0.05 0.00 2.01 0.00 0.00 34.83 32.46 1x69 s MET 47 CO 0.02 -1.36 -0.27 -0.89 -0.01 0.00 0.00 175.02 172.51 1x69 n ILE 48 N 5.43 1.32 -3.50 2.53 5.41 -1.25 -5.05 119.36 124.24 1x69 n ILE 48 Ca -0.11 0.21 -0.20 0.00 1.00 0.00 0.00 62.75 63.65 1x69 n ILE 48 Cb 0.42 -2.15 -0.02 0.00 -0.71 0.00 0.00 39.64 37.18 1x69 n ILE 48 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1x69 s ASP 49 N -5.75 5.45 -0.09 4.38 1.11 -1.09 -4.99 116.67 115.68 1x69 s ASP 49 Ca -0.22 -0.48 0.01 0.00 0.18 0.00 0.00 52.55 52.04 1x69 s ASP 49 Cb 0.03 -0.86 0.13 0.00 1.07 0.00 0.00 42.92 43.29 1x69 s ASP 49 CO 0.33 -0.53 1.26 0.47 1.18 0.00 0.00 175.17 177.87 1x69 n ASP 50 N -1.58 3.41 0.00 0.27 9.92 -1.26 -3.84 116.55 123.47 1x69 n ASP 50 Ca 0.02 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.93 1x69 n ASP 50 Cb 0.60 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 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 0.26 0.08 3.41 0.44 0.00 -1.26 -5.08 105.19 103.03 1x69 n GLY 51 Ca 0.12 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.91 2.41 0.28 1.61 0.52 -1.25 -0.34 118.94 121.26 1x69 s TRP 52 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.80 1x69 s TRP 52 Cb 0.00 -1.36 -0.05 0.00 -1.15 0.00 0.00 33.47 30.91 1x69 s TRP 52 CO 0.00 0.27 0.10 -1.58 0.02 0.00 0.00 176.95 175.76 1x69 s TRP 53 N -0.97 1.62 -0.09 -1.98 0.51 0.54 -2.68 118.94 115.88 1x69 s TRP 53 Ca 0.14 -1.18 -0.00 0.00 -2.12 0.00 0.00 56.10 52.94 1x69 s TRP 53 Cb -0.10 -0.96 0.02 0.00 -0.81 0.00 0.00 33.47 31.62 1x69 s TRP 53 CO 0.05 -0.31 -0.06 1.03 -0.51 0.00 0.00 176.95 177.16 1x69 s ARG 54 N -3.97 1.25 0.18 4.98 0.52 -0.33 -0.45 118.95 121.13 1x69 s ARG 54 Ca 0.37 -0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 55.36 1x69 s ARG 54 Cb 0.07 -1.36 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 1x69 s ARG 54 CO 0.15 -0.24 0.23 0.20 0.02 0.00 0.00 175.30 175.65 1x69 s GLY 55 N 1.64 0.84 -0.51 -3.53 0.00 -1.23 0.23 107.32 104.76 1x69 s GLY 55 Ca 0.02 -1.22 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 1x69 s GLY 55 CO -0.06 -1.06 0.70 0.14 0.00 0.00 0.00 173.10 172.82 1x69 s VAL 56 N -4.04 4.76 -0.14 1.40 1.01 -0.76 -3.56 120.40 119.07 1x69 s VAL 56 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1x69 s VAL 56 Cb 0.04 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1x69 s VAL 56 CO 0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 175.10 174.15 1x69 n LYS 58 N 3.80 -1.87 -1.46 0.00 5.02 -1.26 0.13 118.16 122.51 1x69 n LYS 58 Ca -0.19 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1x69 n LYS 58 Cb 0.52 -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 -0.44 0.98 2.91 0.72 0.00 -1.26 -5.08 105.19 103.01 1x69 n GLY 59 Ca -0.09 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.05 0.08 -0.31 1.61 0.52 0.12 -5.13 118.95 112.80 1x69 s ARG 60 Ca 0.00 0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 55.69 1x69 s ARG 60 Cb 0.00 -0.20 0.04 0.00 0.52 0.00 0.00 34.95 35.31 1x69 s ARG 60 CO 0.00 -0.24 0.04 -0.47 0.02 0.00 0.00 175.30 174.65 1x69 s TYR 61 N 1.83 3.24 0.32 -0.53 5.04 -1.25 -0.24 117.35 125.76 1x69 s TYR 61 Ca -0.02 -1.61 -0.08 0.00 -2.44 0.00 0.00 57.07 52.92 1x69 s TYR 61 Cb -0.12 -2.18 0.03 0.00 0.35 0.00 0.00 41.96 40.04 1x69 s TYR 61 CO -0.06 -0.75 0.56 0.41 -1.34 0.00 0.00 175.55 174.36 1x69 n GLY 62 N 4.72 1.61 3.74 8.97 0.00 -1.23 -4.95 105.19 118.04 1x69 n GLY 62 Ca -0.13 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 4.59 -0.09 0.99 1.43 -0.73 -3.55 118.68 121.31 1x69 s LEU 63 Ca 0.18 1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 55.11 1x69 s LEU 63 Cb -0.03 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1x69 s LEU 63 CO 0.13 0.04 0.33 0.72 0.23 0.00 0.00 176.35 177.81 1x69 s PHE 64 N -0.81 -0.31 -0.01 0.29 -0.12 0.40 -2.44 117.98 114.98 1x69 s PHE 64 Ca 0.44 0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 57.71 1x69 s PHE 64 Cb -0.26 0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 1x69 s PHE 64 CO 0.33 -0.26 1.46 -1.25 -0.05 0.00 0.00 175.22 175.45 1x69 s PRO 65 N -0.35 4.25 0.00 1.99 0.04 -1.26 -0.34 135.00 139.33 1x69 s PRO 65 Ca -0.05 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.12 1x69 s PRO 65 Cb -0.03 -3.65 0.57 0.00 0.04 0.00 0.00 34.50 31.43 1x69 s PRO 65 CO 0.02 -0.64 1.21 0.00 0.04 0.00 0.00 177.00 177.62 1x69 n ALA 66 N 5.73 1.73 0.15 8.56 0.00 0.54 -2.31 120.51 134.90 1x69 n ALA 66 Ca 0.14 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 1x69 n ALA 66 Cb 0.43 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.55 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 0.85 0.00 0.00 2.35 -1.90 -3.22 115.58 113.66 1x69 h ASN 67 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 1x69 h ASN 67 Cb 0.08 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1x69 h ASN 67 CO 0.00 1.71 0.00 -1.22 -1.65 0.00 0.00 177.43 176.27 1x69 n TYR 68 N -3.73 0.00 -4.12 1.19 4.02 -0.98 -4.80 117.16 108.74 1x69 n TYR 68 Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.62 1x69 n TYR 68 Cb 1.10 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.33 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 0.07 -0.03 -0.72 -7.23 -1.21 -0.24 120.40 109.03 1x69 s VAL 69 Ca 0.05 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1x69 s VAL 69 Cb 0.02 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1x69 s VAL 69 CO 0.04 -0.32 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.78 1x69 s GLU 70 N -4.06 0.57 0.25 4.82 2.56 0.11 -4.84 118.70 118.10 1x69 s GLU 70 Ca 0.26 -0.07 -0.30 0.00 0.00 0.00 0.00 54.97 54.86 1x69 s GLU 70 Cb 0.06 -0.62 -0.10 0.00 2.00 0.00 0.00 34.13 35.47 1x69 s GLU 70 CO 0.04 -0.05 1.42 -0.51 -0.56 0.00 0.00 175.26 175.60 1x69 s LEU 71 N 0.71 4.39 -0.34 2.70 1.43 -1.26 -0.61 118.68 125.70 1x69 s LEU 71 Ca -0.08 2.64 -0.14 0.00 -1.03 0.00 0.00 54.13 55.51 1x69 s LEU 71 Cb -0.12 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1x69 s LEU 71 CO -0.00 -0.68 0.33 -0.13 0.23 0.00 0.00 176.35 176.09 1x69 s ARG 72 N -0.39 3.58 -0.97 1.70 0.52 0.18 -4.89 118.95 118.69 1x69 s ARG 72 Ca 0.59 -0.45 -0.04 0.00 -0.52 0.00 0.00 55.73 55.31 1x69 s ARG 72 Cb -0.41 -3.79 0.24 0.00 0.52 0.00 0.00 34.95 31.50 1x69 s ARG 72 CO 0.43 -0.49 0.89 -1.14 0.02 0.00 0.00 175.30 175.02 1x69 s GLN 73 N 1.94 3.59 -0.98 3.54 2.00 -1.26 -4.64 119.66 123.86 1x69 s GLN 73 Ca 0.10 -3.25 -0.24 0.00 -2.00 0.00 0.00 55.36 49.97 1x69 s GLN 73 Cb -0.17 -4.16 -0.01 0.00 0.80 0.00 0.00 33.01 29.47 1x69 s GLN 73 CO 0.11 -1.26 1.78 -1.12 -0.50 0.00 0.00 175.29 174.31 1x69 s SER 74 N 0.37 5.63 0.00 6.67 0.01 -1.26 -4.47 113.70 120.65 1x69 s SER 74 Ca 0.28 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1x69 s SER 74 Cb -0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1x69 s SER 74 CO -0.11 -2.32 0.00 0.61 0.41 0.00 0.00 173.24 171.83 1x69 n GLY 75 N 6.73 1.74 3.66 3.44 0.00 -1.26 -5.12 105.19 114.39 1x69 n GLY 75 Ca 0.39 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.81 0.18 0.15 1.61 0.04 -1.26 -5.08 135.00 128.84 1x69 s PRO 76 Ca 0.00 0.44 0.11 0.00 0.04 0.00 0.00 61.00 61.59 1x69 s PRO 76 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x69 s PRO 76 CO 0.00 -2.88 -0.26 0.45 0.04 0.00 0.00 177.00 174.35 1x69 s SER 77 N -3.48 3.37 -0.02 6.66 0.15 -1.26 -5.04 113.70 114.08 1x69 s SER 77 Ca 0.66 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1x69 s SER 77 Cb -0.18 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1x69 s SER 77 CO 0.58 0.16 -0.00 -1.54 1.20 0.00 0.00 173.24 173.63 1x69 n SER 78 N 0.67 4.29 0.00 5.45 3.41 -1.26 -5.33 113.62 120.84 1x69 n SER 78 Ca -0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1x69 n SER 78 Cb 0.54 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49