#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 -1.08 0.00 1.61 0.02 -2.05 -3.32 113.55 108.72 1x69 h SER 2 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1x69 h SER 2 Cb 0.00 0.41 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1x69 h SER 2 CO 0.00 -0.45 -0.07 0.28 -1.14 0.00 0.00 176.83 175.45 1x69 h SER 3 N -0.59 0.00 0.00 3.07 0.02 -2.08 -3.50 113.55 110.47 1x69 h SER 3 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1x69 h SER 3 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1x69 h SER 3 CO -0.23 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1x69 n GLY 4 N 1.77 2.67 0.32 -3.77 0.00 -1.25 -5.01 105.19 99.92 1x69 n GLY 4 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 1x69 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x69 n SER 5 N 0.00 -0.74 -4.58 1.61 7.64 -1.26 -4.43 113.62 111.87 1x69 n SER 5 Ca 0.00 1.41 -0.30 0.00 1.01 0.00 0.00 58.87 60.99 1x69 n SER 5 Cb 0.00 -0.23 0.21 0.00 -1.01 0.00 0.00 64.21 63.19 1x69 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x69 s SER 6 N -5.36 1.88 -0.40 6.43 0.15 -1.26 -5.01 113.70 110.13 1x69 s SER 6 Ca -0.10 1.86 0.05 0.00 0.70 0.00 0.00 55.95 58.46 1x69 s SER 6 Cb 0.11 -2.45 0.31 0.00 -1.71 0.00 0.00 66.02 62.28 1x69 s SER 6 CO 0.52 -3.70 1.24 0.61 1.20 0.00 0.00 173.24 173.11 1x69 n GLY 7 N 0.55 -0.12 3.29 9.45 0.00 -1.26 -5.14 105.19 111.97 1x69 n GLY 7 Ca 0.07 0.28 -0.32 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 0.17 2.31 0.26 2.61 -4.23 -1.26 -5.10 115.64 110.40 1x69 s THR 8 Ca 0.20 -0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 1x69 s THR 8 Cb 0.29 -1.88 -0.11 0.00 1.34 0.00 0.00 72.50 72.14 1x69 s THR 8 CO -0.10 0.56 1.59 -0.47 -0.54 0.00 0.00 174.62 175.66 1x69 s TYR 9 N -0.03 2.86 -0.28 3.99 5.04 -1.26 -5.00 117.35 122.67 1x69 s TYR 9 Ca -0.07 0.73 -0.23 0.00 -2.44 0.00 0.00 57.07 55.07 1x69 s TYR 9 Cb -0.15 -4.02 0.10 0.00 0.35 0.00 0.00 41.96 38.24 1x69 s TYR 9 CO 0.05 -3.53 0.85 -0.51 -1.34 0.00 0.00 175.55 171.07 1x69 s ASP 10 N 0.65 -0.65 -0.12 4.32 1.01 -1.26 -5.03 116.67 115.59 1x69 s ASP 10 Ca 0.65 1.20 -0.01 0.00 0.71 0.00 0.00 52.55 55.10 1x69 s ASP 10 Cb -0.47 1.23 0.03 0.00 1.01 0.00 0.00 42.92 44.72 1x69 s ASP 10 CO 0.43 -0.20 2.28 -0.62 0.21 0.00 0.00 175.17 177.27 1x69 n GLU 11 N 2.84 1.46 -4.04 8.23 1.02 -1.26 -4.87 120.64 124.02 1x69 n GLU 11 Ca -0.15 -0.74 -0.23 0.00 -0.02 0.00 0.00 57.16 56.03 1x69 n GLU 11 Cb 0.56 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 1x69 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1x69 s TYR 12 N -0.49 2.75 0.44 -0.32 2.02 -1.26 -5.09 117.35 115.40 1x69 s TYR 12 Ca 0.22 -0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.31 1x69 s TYR 12 Cb 0.14 -1.68 -0.09 0.00 -0.40 0.00 0.00 41.96 39.93 1x69 s TYR 12 CO -0.02 0.30 1.15 -0.85 -1.57 0.00 0.00 175.55 174.56 1x69 n GLU 13 N -1.20 1.59 -0.07 -0.62 0.28 -1.26 -4.94 120.64 114.42 1x69 n GLU 13 Ca -0.03 0.57 -0.13 0.00 -0.16 0.00 0.00 57.16 57.42 1x69 n GLU 13 Cb 0.61 -2.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.18 1x69 n GLU 13 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1x69 n ASN 14 N 0.16 2.00 -4.33 -1.84 4.13 -1.26 -4.88 115.26 109.24 1x69 n ASN 14 Ca 0.09 0.05 -0.46 0.00 1.68 0.00 0.00 54.58 55.94 1x69 n ASN 14 Cb 0.40 -0.33 -0.04 0.00 -1.54 0.00 0.00 39.78 38.27 1x69 n ASN 14 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1x69 s ASP 15 N -5.85 6.37 0.33 6.41 1.01 -1.26 -4.90 116.67 118.78 1x69 s ASP 15 Ca -0.20 -1.98 0.04 0.00 0.71 0.00 0.00 52.55 51.12 1x69 s ASP 15 Cb 0.06 -2.24 0.59 0.00 1.01 0.00 0.00 42.92 42.35 1x69 s ASP 15 CO 0.29 -0.84 1.87 -0.07 0.21 0.00 0.00 175.17 176.64 1x69 h LEU 16 N 8.87 0.52 0.00 1.23 -0.00 -2.00 -3.46 115.31 120.47 1x69 h LEU 16 Ca -0.17 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1x69 h LEU 16 Cb 1.08 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1x69 h LEU 16 CO 0.98 0.57 0.00 0.61 -0.00 0.00 0.00 178.44 180.60 1x69 n GLY 17 N -0.89 -1.01 3.73 0.83 0.00 -1.26 0.11 105.19 106.70 1x69 n GLY 17 Ca 0.02 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1x69 n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x69 n ILE 18 N 0.00 0.50 -4.38 -0.61 -0.00 -1.26 -4.57 119.36 109.04 1x69 n ILE 18 Ca 0.00 -0.12 -0.28 0.00 -0.00 0.00 0.00 62.75 62.34 1x69 n ILE 18 Cb 0.00 -1.96 -0.12 0.00 -0.00 0.00 0.00 39.64 37.56 1x69 n ILE 18 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1x69 s THR 19 N 0.59 2.48 0.12 1.39 -4.23 -1.26 -1.53 115.64 113.20 1x69 s THR 19 Ca 0.70 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 1x69 s THR 19 Cb -0.51 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1x69 s THR 19 CO 0.40 0.01 0.23 0.00 -0.54 0.00 0.00 174.62 174.72 1x69 s ALA 20 N -1.33 -0.11 -0.05 3.99 0.00 -0.88 -2.07 121.76 121.31 1x69 s ALA 20 Ca 0.18 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1x69 s ALA 20 Cb -0.09 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1x69 s ALA 20 CO 0.09 -0.57 -0.20 0.54 0.00 0.00 0.00 175.76 175.62 1x69 s VAL 21 N -3.91 1.64 0.46 0.00 0.11 0.69 -1.07 120.40 118.31 1x69 s VAL 21 Ca 0.11 -0.83 -0.23 0.00 -2.93 0.00 0.00 61.98 58.10 1x69 s VAL 21 Cb 0.04 -1.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.42 1x69 s VAL 21 CO -0.06 0.46 1.15 0.00 -3.33 0.00 0.00 175.10 173.33 1x69 s ALA 22 N -0.00 2.96 -0.17 1.54 0.00 -0.75 0.44 121.76 125.78 1x69 s ALA 22 Ca -0.04 0.91 0.08 0.00 0.00 0.00 0.00 51.96 52.91 1x69 s ALA 22 Cb -0.12 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1x69 s ALA 22 CO 0.03 -0.63 -0.05 1.28 0.00 0.00 0.00 175.76 176.39 1x69 n LEU 23 N -0.51 1.29 -3.92 0.00 4.77 -0.05 -0.45 117.00 118.12 1x69 n LEU 23 Ca 0.07 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 1x69 n LEU 23 Cb 0.48 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1x69 n LEU 23 CO 0.47 0.58 -0.19 -0.31 -1.33 0.00 0.00 177.39 176.60 1x69 s TYR 24 N -2.38 0.19 0.42 -1.77 1.51 -1.23 -4.39 117.35 109.70 1x69 s TYR 24 Ca -0.16 -0.51 -0.26 0.00 -1.01 0.00 0.00 57.07 55.13 1x69 s TYR 24 Cb 0.06 -0.13 -0.10 0.00 -0.11 0.00 0.00 41.96 41.68 1x69 s TYR 24 CO 0.56 -0.39 1.32 -0.40 -1.11 0.00 0.00 175.55 175.52 1x69 n ASP 25 N 0.63 2.80 -3.67 2.29 5.68 -1.26 -4.35 116.55 118.67 1x69 n ASP 25 Ca -0.18 1.13 -0.18 0.00 -0.50 0.00 0.00 54.79 55.05 1x69 n ASP 25 Cb 0.59 -1.53 -0.17 0.00 -1.14 0.00 0.00 41.12 38.88 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 -1.18 -0.08 -0.51 2.11 6.14 -1.04 -4.94 117.35 117.85 1x69 s TYR 26 Ca 0.60 0.45 -0.12 0.00 0.64 0.00 0.00 57.07 58.64 1x69 s TYR 26 Cb -0.50 -0.36 0.13 0.00 0.42 0.00 0.00 41.96 41.65 1x69 s TYR 26 CO 0.59 -0.25 0.42 1.14 0.64 0.00 0.00 175.55 178.09 1x69 s GLN 27 N 2.24 2.71 0.07 4.97 0.00 -1.26 -2.50 119.66 125.90 1x69 s GLN 27 Ca 0.04 -1.75 -0.36 0.00 -0.00 0.00 0.00 55.36 53.29 1x69 s GLN 27 Cb -0.12 -4.10 -0.19 0.00 0.00 0.00 0.00 33.01 28.61 1x69 s GLN 27 CO -0.05 -1.26 0.88 0.00 0.00 0.00 0.00 175.29 174.87 1x69 n ALA 28 N 5.04 -3.29 0.02 2.60 0.00 -1.25 -4.87 120.51 118.76 1x69 n ALA 28 Ca -0.10 0.54 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 1x69 n ALA 28 Cb 0.40 -1.72 -0.09 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 h ALA 29 N 2.32 0.19 -3.16 0.00 0.00 -1.91 -3.48 119.26 113.22 1x69 h ALA 29 Ca -0.43 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1x69 h ALA 29 Cb 1.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1x69 h ALA 29 CO 0.62 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.97 1x69 n GLY 30 N 0.96 6.58 0.14 0.00 0.00 -1.26 -5.06 105.19 106.55 1x69 n GLY 30 Ca -0.10 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1x69 n GLY 30 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x69 h ASP 31 N 0.00 0.77 -0.56 1.61 3.04 -2.03 -3.33 116.42 115.93 1x69 h ASP 31 Ca 0.00 -0.93 0.08 0.00 -3.24 0.00 0.00 57.03 52.95 1x69 h ASP 31 Cb 0.00 -0.25 -0.07 0.00 -1.04 0.00 0.00 39.33 37.97 1x69 h ASP 31 CO 0.00 1.66 0.20 0.44 -2.04 0.00 0.00 179.24 179.50 1x69 h ASP 32 N 0.05 0.19 -4.25 4.15 3.32 -1.97 -3.42 116.42 114.49 1x69 h ASP 32 Ca -0.24 0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.38 1x69 h ASP 32 Cb 2.07 0.06 0.08 0.00 0.22 0.00 0.00 39.33 41.76 1x69 h ASP 32 CO 0.25 0.13 0.37 -1.61 -1.72 0.00 0.00 179.24 176.66 1x69 s GLU 33 N -6.11 3.15 0.17 3.56 2.02 -1.25 -1.50 118.70 118.75 1x69 s GLU 33 Ca -0.13 1.12 0.09 0.00 0.02 0.00 0.00 54.97 56.07 1x69 s GLU 33 Cb 0.16 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1x69 s GLU 33 CO 0.74 -0.94 -0.11 0.96 0.02 0.00 0.00 175.26 175.93 1x69 s ILE 34 N -2.66 3.10 -0.04 -1.63 -4.36 -0.76 -4.76 121.20 110.09 1x69 s ILE 34 Ca 0.62 -1.66 0.04 0.00 -0.26 0.00 0.00 60.65 59.39 1x69 s ILE 34 Cb -0.15 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 1x69 s ILE 34 CO 0.44 -0.08 -0.16 -0.94 0.24 0.00 0.00 174.94 174.43 1x69 s SER 35 N -2.73 3.87 0.03 4.36 1.04 -1.26 -3.97 113.70 115.05 1x69 s SER 35 Ca 0.24 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 1x69 s SER 35 Cb -0.09 -0.76 0.02 0.00 0.10 0.00 0.00 66.02 65.29 1x69 s SER 35 CO 0.14 0.34 0.30 0.72 0.98 0.00 0.00 173.24 175.72 1x69 s PHE 36 N -0.73 -0.11 0.68 5.02 -0.12 -1.04 -4.96 117.98 116.73 1x69 s PHE 36 Ca 0.11 -0.00 -0.11 0.00 -0.05 0.00 0.00 56.93 56.88 1x69 s PHE 36 Cb -0.10 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.37 1x69 s PHE 36 CO 0.01 -0.48 1.06 0.16 -0.05 0.00 0.00 175.22 175.92 1x69 s ASP 37 N -1.95 5.60 0.19 1.98 1.47 -1.26 -2.50 116.67 120.19 1x69 s ASP 37 Ca -0.06 1.39 -0.30 0.00 1.18 0.00 0.00 52.55 54.76 1x69 s ASP 37 Cb -0.02 -2.30 -0.09 0.00 -0.34 0.00 0.00 42.92 40.18 1x69 s ASP 37 CO -0.02 -1.28 1.31 -2.16 0.68 0.00 0.00 175.17 173.70 1x69 s PRO 38 N -5.18 4.39 -0.62 2.11 0.04 -1.26 -2.97 135.00 131.51 1x69 s PRO 38 Ca 0.57 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1x69 s PRO 38 Cb -0.12 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1x69 s PRO 38 CO 0.54 -0.25 0.00 -0.25 0.04 0.00 0.00 177.00 177.08 1x69 n ASP 39 N 2.67 -2.73 -4.85 6.66 9.92 0.41 -4.93 116.55 123.69 1x69 n ASP 39 Ca 0.06 -0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.08 1x69 n ASP 39 Cb 0.43 -2.02 0.07 0.00 -0.64 0.00 0.00 41.12 38.96 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 -2.68 4.81 -0.10 -2.24 2.15 -1.16 -4.76 116.67 112.69 1x69 s ASP 40 Ca 0.00 0.07 -0.00 0.00 0.43 0.00 0.00 52.55 53.05 1x69 s ASP 40 Cb 0.00 -0.73 -0.02 0.00 -0.30 0.00 0.00 42.92 41.87 1x69 s ASP 40 CO 0.00 -1.53 -0.09 -0.63 -0.17 0.00 0.00 175.17 172.75 1x69 s ILE 41 N -3.06 3.47 0.01 4.11 -1.09 -1.26 -1.81 121.20 121.57 1x69 s ILE 41 Ca 0.61 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 1x69 s ILE 41 Cb -0.09 -2.45 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 1x69 s ILE 41 CO 0.42 0.55 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.89 1x69 s ILE 42 N -0.19 1.29 0.23 2.92 1.09 -0.24 -4.69 121.20 121.62 1x69 s ILE 42 Ca 0.02 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 1x69 s ILE 42 Cb -0.13 -1.11 -0.05 0.00 -1.06 0.00 0.00 42.46 40.11 1x69 s ILE 42 CO 0.03 0.22 0.02 0.42 -0.10 0.00 0.00 174.94 175.53 1x69 s THR 43 N -0.60 0.91 -1.11 2.92 -4.23 -1.22 -2.07 115.64 110.25 1x69 s THR 43 Ca 0.05 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1x69 s THR 43 Cb -0.07 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1x69 s THR 43 CO 0.00 -0.28 0.92 0.59 -0.54 0.00 0.00 174.62 175.31 1x69 n ASN 44 N -0.41 -2.06 -4.77 3.99 5.03 0.31 -1.62 115.26 115.73 1x69 n ASN 44 Ca -0.04 -0.57 -0.38 0.00 0.87 0.00 0.00 54.58 54.45 1x69 n ASN 44 Cb 0.64 -4.77 -0.06 0.00 -1.02 0.00 0.00 39.78 34.57 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 -3.33 4.16 -0.32 2.41 1.01 -0.58 -3.60 121.20 120.93 1x69 s ILE 45 Ca 0.00 1.93 -0.00 0.00 0.00 0.00 0.00 60.65 62.58 1x69 s ILE 45 Cb -0.00 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.42 1x69 s ILE 45 CO 0.67 0.30 0.11 -1.61 0.00 0.00 0.00 174.94 174.41 1x69 s GLU 46 N -1.67 0.80 -0.62 2.79 0.41 0.40 -4.37 118.70 116.45 1x69 s GLU 46 Ca 0.46 -1.20 -0.29 0.00 -0.41 0.00 0.00 54.97 53.53 1x69 s GLU 46 Cb -0.22 -2.07 -0.12 0.00 -1.78 0.00 0.00 34.13 29.94 1x69 s GLU 46 CO 0.27 -1.00 2.47 -1.33 -0.49 0.00 0.00 175.26 175.18 1x69 n MET 47 N 4.70 0.76 -0.05 1.61 2.81 -1.26 -1.98 117.12 123.70 1x69 n MET 47 Ca -0.01 0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 1x69 n MET 47 Cb 0.41 -2.71 -0.01 0.00 -0.71 0.00 0.00 33.22 30.21 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 -4.01 2.02 1.08 -1.89 -3.48 117.51 118.91 1x69 h ILE 48 Ca -0.19 -0.88 -0.29 0.00 -0.39 0.00 0.00 64.86 63.11 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 0.47 -0.69 0.00 0.00 178.15 178.90 1x69 n ASP 49 N -4.40 1.31 -1.28 1.72 8.00 -0.43 -5.02 116.55 116.46 1x69 n ASP 49 Ca -0.03 -2.09 -0.05 0.00 0.71 0.00 0.00 54.79 53.33 1x69 n ASP 49 Cb 0.11 0.47 0.04 0.00 -0.02 0.00 0.00 41.12 41.72 1x69 n ASP 49 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x69 n ASP 50 N -1.70 3.16 0.00 -2.24 -0.08 -1.26 -4.10 116.55 110.33 1x69 n ASP 50 Ca -0.04 -2.37 0.00 0.00 -1.51 0.00 0.00 54.79 50.87 1x69 n ASP 50 Cb 0.31 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x69 n GLY 51 N 0.12 -0.22 3.54 0.27 0.00 -1.26 -5.06 105.19 102.58 1x69 n GLY 51 Ca 0.14 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.52 2.81 0.39 1.61 0.52 -1.26 -0.20 118.94 121.30 1x69 s TRP 52 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.08 1x69 s TRP 52 Cb 0.00 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1x69 s TRP 52 CO 0.00 0.28 0.07 -1.58 0.02 0.00 0.00 176.95 175.74 1x69 s TRP 53 N -0.83 1.93 -0.14 -1.98 0.51 0.22 -1.32 118.94 117.35 1x69 s TRP 53 Ca 0.13 -1.05 -0.00 0.00 -2.12 0.00 0.00 56.10 53.06 1x69 s TRP 53 Cb -0.11 -1.32 0.03 0.00 -0.81 0.00 0.00 33.47 31.26 1x69 s TRP 53 CO 0.02 -0.03 -0.08 1.03 -0.51 0.00 0.00 176.95 177.38 1x69 s ARG 54 N -3.81 1.68 0.09 4.98 0.52 -0.84 -1.23 118.95 120.33 1x69 s ARG 54 Ca 0.28 -0.41 -0.07 0.00 -0.52 0.00 0.00 55.73 55.02 1x69 s ARG 54 Cb 0.06 -1.83 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 1x69 s ARG 54 CO 0.14 -0.31 0.14 0.20 0.02 0.00 0.00 175.30 175.48 1x69 s GLY 55 N 1.63 0.24 -0.54 -3.53 0.00 -1.23 0.15 107.32 104.04 1x69 s GLY 55 Ca 0.04 -0.81 -0.21 0.00 0.00 0.00 0.00 44.72 43.74 1x69 s GLY 55 CO -0.09 -0.95 0.78 0.14 0.00 0.00 0.00 173.10 172.98 1x69 s VAL 56 N -3.89 4.64 -0.13 1.40 1.01 -0.64 -3.53 120.40 119.26 1x69 s VAL 56 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1x69 s VAL 56 Cb 0.06 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1x69 s VAL 56 CO -0.10 -0.99 -0.15 0.00 0.00 0.00 0.00 175.10 173.87 1x69 n LYS 58 N 3.59 -2.55 -2.29 0.00 5.02 -1.26 -0.13 118.16 120.54 1x69 n LYS 58 Ca -0.18 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1x69 n LYS 58 Cb 0.53 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 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 -0.71 0.93 3.03 0.72 0.00 -1.26 -5.07 105.19 102.82 1x69 n GLY 59 Ca -0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.58 0.17 -0.32 1.61 0.52 0.81 -5.13 118.95 112.03 1x69 s ARG 60 Ca 0.00 0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 55.85 1x69 s ARG 60 Cb 0.00 -0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.45 1x69 s ARG 60 CO 0.00 -0.25 0.07 -0.47 0.02 0.00 0.00 175.30 174.67 1x69 s TYR 61 N 2.05 3.25 0.16 -0.53 5.04 -1.26 -0.13 117.35 125.94 1x69 s TYR 61 Ca -0.02 -1.56 -0.05 0.00 -2.44 0.00 0.00 57.07 53.00 1x69 s TYR 61 Cb -0.11 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 40.00 1x69 s TYR 61 CO -0.09 -0.75 0.29 0.41 -1.34 0.00 0.00 175.55 174.07 1x69 n GLY 62 N 4.75 1.88 3.78 8.97 0.00 -1.23 -4.95 105.19 118.38 1x69 n GLY 62 Ca -0.13 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 4.29 -0.18 0.99 1.43 -0.56 -3.48 118.68 121.17 1x69 s LEU 63 Ca 0.08 1.95 -0.23 0.00 -1.03 0.00 0.00 54.13 54.90 1x69 s LEU 63 Cb -0.02 -4.04 0.06 0.00 0.03 0.00 0.00 46.19 42.22 1x69 s LEU 63 CO 0.06 -0.23 0.61 0.72 0.23 0.00 0.00 176.35 177.74 1x69 s PHE 64 N -1.59 -0.64 0.12 0.29 -0.12 -0.37 -1.82 117.98 113.86 1x69 s PHE 64 Ca 0.52 1.45 -0.31 0.00 -0.05 0.00 0.00 56.93 58.55 1x69 s PHE 64 Cb -0.21 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.36 1x69 s PHE 64 CO 0.27 -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 -0.61 135.00 139.41 1x69 s PRO 65 Ca -0.03 2.03 0.21 0.00 0.04 0.00 0.00 61.00 63.25 1x69 s PRO 65 Cb -0.04 -3.25 1.24 0.00 0.04 0.00 0.00 34.50 32.50 1x69 s PRO 65 CO 0.03 -0.38 1.65 0.00 0.04 0.00 0.00 177.00 178.34 1x69 n ALA 66 N 3.69 2.26 0.03 8.56 0.00 0.72 -3.04 120.51 132.75 1x69 n ALA 66 Ca 0.10 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1x69 n ALA 66 Cb 0.43 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 0.43 0.00 0.00 2.35 -1.91 -3.27 115.58 113.19 1x69 h ASN 67 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.84 1x69 h ASN 67 Cb 0.03 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1x69 h ASN 67 CO 0.00 1.48 0.00 -1.22 -1.65 0.00 0.00 177.43 176.04 1x69 n TYR 68 N -4.05 0.00 -4.23 1.19 4.02 -1.17 -4.78 117.16 108.14 1x69 n TYR 68 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 1x69 n TYR 68 Cb 0.85 0.00 -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 -2.00 0.36 -0.02 -0.72 -7.23 -1.23 -0.88 120.40 108.68 1x69 s VAL 69 Ca 0.11 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1x69 s VAL 69 Cb 0.05 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1x69 s VAL 69 CO 0.09 -0.22 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.90 1x69 s GLU 70 N -4.04 0.59 0.08 4.82 2.56 0.17 -4.82 118.70 118.07 1x69 s GLU 70 Ca 0.31 -0.18 -0.30 0.00 0.00 0.00 0.00 54.97 54.81 1x69 s GLU 70 Cb 0.07 -0.59 -0.06 0.00 2.00 0.00 0.00 34.13 35.55 1x69 s GLU 70 CO 0.08 0.06 1.17 -0.51 -0.56 0.00 0.00 175.26 175.50 1x69 s LEU 71 N 0.22 4.39 0.00 2.70 1.43 -1.26 -0.22 118.68 125.93 1x69 s LEU 71 Ca -0.02 2.01 0.25 0.00 -1.03 0.00 0.00 54.13 55.34 1x69 s LEU 71 Cb -0.07 -3.58 0.38 0.00 0.03 0.00 0.00 46.19 42.95 1x69 s LEU 71 CO -0.00 -0.42 1.34 0.54 0.23 0.00 0.00 176.35 178.05 1x69 n ARG 72 N 3.62 1.55 -1.95 1.70 1.74 -0.88 -4.91 116.66 117.54 1x69 n ARG 72 Ca 0.08 -1.18 -0.42 0.00 -0.77 0.00 0.00 57.85 55.55 1x69 n ARG 72 Cb 0.47 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1x69 n ARG 72 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x69 s GLN 73 N -2.26 3.94 0.14 5.56 0.74 -1.26 -4.98 119.66 121.56 1x69 s GLN 73 Ca 0.26 2.07 -0.00 0.00 0.05 0.00 0.00 55.36 57.73 1x69 s GLN 73 Cb 0.19 -4.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 1x69 s GLN 73 CO 0.44 -1.13 0.04 0.45 -0.55 0.00 0.00 175.29 174.54 1x69 s SER 74 N 4.30 0.53 0.40 6.67 0.15 -1.26 -5.13 113.70 119.37 1x69 s SER 74 Ca 0.78 -1.20 -0.21 0.00 0.70 0.00 0.00 55.95 56.01 1x69 s SER 74 Cb -0.32 0.25 -0.15 0.00 -1.71 0.00 0.00 66.02 64.09 1x69 s SER 74 CO 0.32 -0.69 0.08 0.61 1.20 0.00 0.00 173.24 174.76 1x69 n GLY 75 N -0.13 -2.72 0.23 9.45 0.00 -1.26 -4.83 105.19 105.93 1x69 n GLY 75 Ca -0.06 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.32 0.00 -5.78 1.61 0.13 -2.03 -3.44 132.00 122.81 1x69 h PRO 76 Ca -0.37 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.11 1x69 h PRO 76 Cb 1.43 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.53 1x69 h PRO 76 CO 0.46 0.19 1.47 0.43 -0.23 0.00 0.00 178.00 180.32 1x69 n SER 77 N -3.44 1.34 -4.45 1.44 7.64 -1.26 -4.91 113.62 109.98 1x69 n SER 77 Ca -0.00 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.93 1x69 n SER 77 Cb 0.38 -1.10 -0.13 0.00 -1.01 0.00 0.00 64.21 62.34 1x69 n SER 77 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x69 s SER 78 N 7.58 4.05 0.00 6.43 0.15 -1.26 -5.19 113.70 125.46 1x69 s SER 78 Ca 1.17 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1x69 s SER 78 Cb -1.09 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1x69 s SER 78 CO 0.53 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.88