#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 6.28 -0.18 1.61 0.01 -1.26 -4.90 113.70 115.26 1x69 s SER 2 Ca 0.00 -0.63 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 1x69 s SER 2 Cb 0.00 -2.35 -0.22 0.00 0.21 0.00 0.00 66.02 63.66 1x69 s SER 2 CO 0.00 -0.99 0.44 -1.28 0.41 0.00 0.00 173.24 171.81 1x69 h SER 3 N 9.09 0.01 0.00 2.44 0.87 -2.09 -3.48 113.55 120.39 1x69 h SER 3 Ca -0.27 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 1x69 h SER 3 Cb 1.09 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x69 h SER 3 CO 1.00 1.31 0.00 0.61 -0.53 0.00 0.00 176.83 179.22 1x69 n GLY 4 N 1.51 -1.08 3.90 5.77 0.00 -1.26 -5.17 105.19 108.87 1x69 n GLY 4 Ca -0.24 0.91 -0.31 0.00 0.00 0.00 0.00 46.02 46.38 1x69 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x69 s SER 5 N 0.00 6.47 0.26 1.61 1.04 -1.26 -5.10 113.70 116.71 1x69 s SER 5 Ca 0.00 0.53 -0.07 0.00 0.48 0.00 0.00 55.95 56.89 1x69 s SER 5 Cb 0.00 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 1x69 s SER 5 CO 0.00 0.08 0.39 -0.44 0.98 0.00 0.00 173.24 174.24 1x69 s SER 6 N -2.42 0.26 0.00 7.02 0.01 -1.26 -5.06 113.70 112.25 1x69 s SER 6 Ca 0.40 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1x69 s SER 6 Cb -0.12 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1x69 s SER 6 CO 0.25 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1x69 n GLY 7 N -0.41 0.15 2.73 3.44 0.00 -1.26 -5.16 105.19 104.68 1x69 n GLY 7 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.09 -0.16 0.69 2.61 -4.23 -1.26 -5.14 115.64 108.06 1x69 s THR 8 Ca 0.00 0.40 -0.17 0.00 -1.18 0.00 0.00 61.69 60.75 1x69 s THR 8 Cb 0.00 -0.20 0.01 0.00 1.34 0.00 0.00 72.50 73.65 1x69 s THR 8 CO 0.00 0.17 1.26 0.00 -0.54 0.00 0.00 174.62 175.51 1x69 n TYR 9 N 5.31 1.73 -3.00 3.99 0.18 -1.26 -4.96 117.16 119.15 1x69 n TYR 9 Ca -0.04 0.42 -0.40 0.00 1.88 0.00 0.00 57.90 59.76 1x69 n TYR 9 Cb 0.50 -2.22 -0.05 0.00 -0.38 0.00 0.00 39.34 37.19 1x69 n TYR 9 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1x69 s ASP 10 N -1.56 6.89 0.22 9.48 2.15 -1.26 -5.02 116.67 127.57 1x69 s ASP 10 Ca 0.80 1.08 -0.30 0.00 0.43 0.00 0.00 52.55 54.56 1x69 s ASP 10 Cb -0.36 -2.41 -0.10 0.00 -0.30 0.00 0.00 42.92 39.75 1x69 s ASP 10 CO 0.43 -0.27 1.47 -0.70 -0.17 0.00 0.00 175.17 175.93 1x69 s GLU 11 N 1.64 4.25 0.07 4.34 2.56 -1.26 -4.93 118.70 125.36 1x69 s GLU 11 Ca 0.35 2.31 -0.16 0.00 0.00 0.00 0.00 54.97 57.48 1x69 s GLU 11 Cb -0.17 -3.12 -0.05 0.00 2.00 0.00 0.00 34.13 32.79 1x69 s GLU 11 CO 0.14 -0.47 1.27 1.88 -0.56 0.00 0.00 175.26 177.51 1x69 h TYR 12 N 5.54 -0.84 -3.33 5.30 0.05 -2.06 -3.39 116.97 118.23 1x69 h TYR 12 Ca -0.45 0.04 -0.54 0.00 0.05 0.00 0.00 58.73 57.83 1x69 h TYR 12 Cb 1.21 0.40 -0.38 0.00 1.01 0.00 0.00 36.73 38.97 1x69 h TYR 12 CO 0.61 -0.23 -0.79 -1.83 -1.05 0.00 0.00 178.16 174.88 1x69 s GLU 13 N -4.27 1.28 -0.14 4.88 -1.05 -1.26 -5.11 118.70 113.03 1x69 s GLU 13 Ca -0.07 -0.49 -0.33 0.00 -0.15 0.00 0.00 54.97 53.93 1x69 s GLU 13 Cb 0.04 -1.98 0.13 0.00 -0.44 0.00 0.00 34.13 31.88 1x69 s GLU 13 CO 0.30 -0.46 1.12 1.21 0.95 0.00 0.00 175.26 178.38 1x69 s ASN 14 N 1.67 -0.20 -0.08 0.83 3.84 -1.26 -5.17 114.94 114.58 1x69 s ASN 14 Ca 0.00 0.01 -0.03 0.00 0.21 0.00 0.00 52.86 53.05 1x69 s ASN 14 Cb -0.15 0.21 0.04 0.00 -0.55 0.00 0.00 41.25 40.80 1x69 s ASN 14 CO -0.07 -0.33 0.16 -0.62 -2.79 0.00 0.00 177.10 173.45 1x69 s ASP 15 N -2.20 0.20 -0.25 -4.21 2.15 -1.26 -5.04 116.67 106.06 1x69 s ASP 15 Ca 0.08 0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.40 1x69 s ASP 15 Cb -0.01 0.26 -0.17 0.00 -0.30 0.00 0.00 42.92 42.70 1x69 s ASP 15 CO -0.06 -0.19 -0.20 0.18 -0.17 0.00 0.00 175.17 174.74 1x69 n LEU 16 N 4.65 2.83 0.00 -1.34 4.77 -1.26 -4.88 117.00 121.78 1x69 n LEU 16 Ca -0.18 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1x69 n LEU 16 Cb 0.51 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1x69 n LEU 16 CO 0.12 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1x69 n GLY 17 N 2.12 0.54 3.72 -0.72 0.00 -1.26 0.11 105.19 109.71 1x69 n GLY 17 Ca -0.46 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 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 4.93 0.19 -0.61 1.01 -1.26 -4.80 121.20 120.65 1x69 s ILE 18 Ca 0.00 1.59 0.10 0.00 0.00 0.00 0.00 60.65 62.34 1x69 s ILE 18 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1x69 s ILE 18 CO 0.00 0.27 -0.15 0.42 0.00 0.00 0.00 174.94 175.48 1x69 s THR 19 N 0.57 2.87 0.16 2.92 -4.23 -1.26 -1.47 115.64 115.19 1x69 s THR 19 Ca 0.40 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1x69 s THR 19 Cb -0.19 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1x69 s THR 19 CO 0.21 -0.13 0.27 0.00 -0.54 0.00 0.00 174.62 174.43 1x69 s ALA 20 N -1.74 -0.01 -0.11 3.99 0.00 -1.17 -0.16 121.76 122.56 1x69 s ALA 20 Ca 0.24 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1x69 s ALA 20 Cb -0.08 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1x69 s ALA 20 CO 0.13 -0.63 -0.19 0.54 0.00 0.00 0.00 175.76 175.62 1x69 s VAL 21 N -3.96 1.72 0.47 0.00 0.11 0.00 -2.17 120.40 116.57 1x69 s VAL 21 Ca 0.16 -0.80 -0.24 0.00 -2.93 0.00 0.00 61.98 58.18 1x69 s VAL 21 Cb 0.04 -1.53 -0.07 0.00 -1.53 0.00 0.00 36.38 33.29 1x69 s VAL 21 CO -0.01 0.48 1.27 0.00 -3.33 0.00 0.00 175.10 173.51 1x69 s ALA 22 N 0.71 3.02 -0.24 1.54 0.00 -0.94 -0.96 121.76 124.90 1x69 s ALA 22 Ca -0.12 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1x69 s ALA 22 Cb -0.16 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.33 1x69 s ALA 22 CO 0.02 -0.93 -0.21 1.28 0.00 0.00 0.00 175.76 175.92 1x69 n LEU 23 N -0.45 2.97 -4.08 0.00 4.77 0.04 0.13 117.00 120.38 1x69 n LEU 23 Ca 0.07 -0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 1x69 n LEU 23 Cb 0.46 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1x69 n LEU 23 CO 0.52 0.90 -0.39 -0.31 -1.33 0.00 0.00 177.39 176.78 1x69 s TYR 24 N -2.47 0.64 0.41 -1.77 1.51 -1.25 -4.52 117.35 109.90 1x69 s TYR 24 Ca -0.32 -0.68 -0.27 0.00 -1.01 0.00 0.00 57.07 54.80 1x69 s TYR 24 Cb 0.08 -0.39 -0.09 0.00 -0.11 0.00 0.00 41.96 41.44 1x69 s TYR 24 CO 0.54 -0.15 1.42 0.16 -1.11 0.00 0.00 175.55 176.41 1x69 s ASP 25 N -2.10 6.19 0.06 2.29 -4.77 -1.26 -4.43 116.67 112.64 1x69 s ASP 25 Ca -0.03 2.91 0.04 0.00 -3.30 0.00 0.00 52.55 52.17 1x69 s ASP 25 Cb -0.04 -2.66 -0.03 0.00 -1.09 0.00 0.00 42.92 39.11 1x69 s ASP 25 CO -0.02 -0.96 -0.12 -0.47 0.70 0.00 0.00 175.17 174.30 1x69 s TYR 26 N -1.17 1.00 -0.35 2.11 6.14 -1.12 -4.97 117.35 118.99 1x69 s TYR 26 Ca 0.56 -0.46 0.01 0.00 0.64 0.00 0.00 57.07 57.82 1x69 s TYR 26 Cb -0.44 -0.58 0.11 0.00 0.42 0.00 0.00 41.96 41.47 1x69 s TYR 26 CO 0.58 0.00 0.12 -0.65 0.64 0.00 0.00 175.55 176.23 1x69 s GLN 27 N -1.61 1.07 -0.23 4.97 1.11 -1.26 -3.70 119.66 120.00 1x69 s GLN 27 Ca -0.05 -1.52 -0.37 0.00 0.01 0.00 0.00 55.36 53.44 1x69 s GLN 27 Cb -0.10 -2.43 -0.13 0.00 -1.01 0.00 0.00 33.01 29.34 1x69 s GLN 27 CO 0.01 -1.01 1.89 0.00 0.01 0.00 0.00 175.29 176.19 1x69 n ALA 28 N 4.39 0.43 -0.32 6.09 0.00 -1.26 -4.83 120.51 125.01 1x69 n ALA 28 Ca 0.02 0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.79 1x69 n ALA 28 Cb 0.40 -2.38 0.26 0.00 0.00 0.00 0.00 19.45 17.73 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 8.96 1.57 -3.06 0.00 0.00 -1.93 -3.45 119.26 121.34 1x69 h ALA 29 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x69 h ALA 29 Cb 1.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1x69 h ALA 29 CO 0.97 0.23 -0.00 0.41 0.00 0.00 0.00 179.25 180.86 1x69 n GLY 30 N -1.38 4.03 0.21 0.00 0.00 -1.26 -5.05 105.19 101.74 1x69 n GLY 30 Ca 0.17 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 0.01 0.64 -0.91 1.61 2.03 -2.03 -2.92 116.42 114.84 1x69 h ASP 31 Ca -0.00 -0.23 0.25 0.00 -0.73 0.00 0.00 57.03 56.32 1x69 h ASP 31 Cb 0.01 -0.17 -0.14 0.00 -0.83 0.00 0.00 39.33 38.20 1x69 h ASP 31 CO 0.00 0.70 0.35 0.44 -1.03 0.00 0.00 179.24 179.69 1x69 h ASP 32 N 0.54 0.19 -3.40 4.15 5.19 -1.95 -3.40 116.42 117.75 1x69 h ASP 32 Ca 0.13 0.19 -0.54 0.00 -0.62 0.00 0.00 57.03 56.19 1x69 h ASP 32 Cb 0.31 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1x69 h ASP 32 CO 0.00 -0.12 -0.15 -1.61 -3.12 0.00 0.00 179.24 174.25 1x69 s GLU 33 N -5.86 3.77 0.06 3.56 2.02 -1.10 -0.43 118.70 120.72 1x69 s GLU 33 Ca -0.11 0.22 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1x69 s GLU 33 Cb 0.27 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1x69 s GLU 33 CO 0.78 0.34 0.05 0.96 0.02 0.00 0.00 175.26 177.41 1x69 s ILE 34 N -1.79 4.42 -0.17 -1.63 -4.36 -1.16 -4.66 121.20 111.85 1x69 s ILE 34 Ca 0.46 -0.72 -0.02 0.00 -0.26 0.00 0.00 60.65 60.11 1x69 s ILE 34 Cb -0.11 -3.09 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 1x69 s ILE 34 CO 0.22 0.19 -0.08 -0.94 0.24 0.00 0.00 174.94 174.57 1x69 s SER 35 N -2.16 4.29 0.18 4.36 1.04 -1.26 -4.08 113.70 116.07 1x69 s SER 35 Ca 0.26 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.41 1x69 s SER 35 Cb -0.12 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 1x69 s SER 35 CO 0.18 0.10 -0.02 0.72 0.98 0.00 0.00 173.24 175.21 1x69 s PHE 36 N 0.74 1.26 0.49 5.02 -0.12 -1.24 -4.96 117.98 119.17 1x69 s PHE 36 Ca -0.03 -0.96 -0.03 0.00 -0.05 0.00 0.00 56.93 55.85 1x69 s PHE 36 Cb -0.15 -0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 41.51 1x69 s PHE 36 CO 0.02 -0.14 0.76 0.16 -0.05 0.00 0.00 175.22 175.97 1x69 s ASP 37 N -3.19 5.98 0.16 1.98 -4.77 -1.26 -2.81 116.67 112.76 1x69 s ASP 37 Ca 0.23 0.66 -0.31 0.00 -3.30 0.00 0.00 52.55 49.84 1x69 s ASP 37 Cb 0.05 -1.90 -0.08 0.00 -1.09 0.00 0.00 42.92 39.90 1x69 s ASP 37 CO 0.04 -0.71 1.33 -2.16 0.70 0.00 0.00 175.17 174.37 1x69 s PRO 38 N -4.72 4.37 -0.49 2.11 0.04 -1.26 -2.82 135.00 132.23 1x69 s PRO 38 Ca 0.48 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1x69 s PRO 38 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x69 s PRO 38 CO 0.42 -0.32 0.00 -3.47 0.04 0.00 0.00 177.00 173.67 1x69 n ASP 39 N 3.20 -2.83 -4.93 6.66 -0.08 0.12 -4.95 116.55 113.74 1x69 n ASP 39 Ca 0.08 0.05 -0.26 0.00 -1.51 0.00 0.00 54.79 53.16 1x69 n ASP 39 Cb 0.43 -1.61 0.05 0.00 2.34 0.00 0.00 41.12 42.33 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 -2.84 5.27 -0.13 1.67 -1.08 -1.13 -4.72 116.67 113.71 1x69 s ASP 40 Ca 0.00 0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 52.54 1x69 s ASP 40 Cb 0.00 -1.39 -0.02 0.00 -1.46 0.00 0.00 42.92 40.05 1x69 s ASP 40 CO 0.00 -1.26 -0.07 -0.63 0.52 0.00 0.00 175.17 173.73 1x69 s ILE 41 N -3.05 3.64 0.13 4.11 -1.09 -1.26 -2.21 121.20 121.47 1x69 s ILE 41 Ca 0.56 -0.46 0.10 0.00 -2.23 0.00 0.00 60.65 58.62 1x69 s ILE 41 Cb -0.11 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 1x69 s ILE 41 CO 0.44 0.52 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.80 1x69 s ILE 42 N 0.11 2.08 0.25 2.92 1.09 -0.92 -4.75 121.20 121.97 1x69 s ILE 42 Ca -0.02 -1.75 0.05 0.00 -1.10 0.00 0.00 60.65 57.83 1x69 s ILE 42 Cb -0.14 -1.88 -0.05 0.00 -1.06 0.00 0.00 42.46 39.33 1x69 s ILE 42 CO 0.03 -0.02 -0.03 0.42 -0.10 0.00 0.00 174.94 175.24 1x69 s THR 43 N -1.26 1.33 -1.28 2.92 -4.23 -1.18 -3.06 115.64 108.87 1x69 s THR 43 Ca 0.13 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1x69 s THR 43 Cb -0.09 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 1x69 s THR 43 CO 0.06 -0.33 0.73 0.59 -0.54 0.00 0.00 174.62 175.13 1x69 n ASN 44 N -0.49 -1.54 -4.61 3.99 5.03 0.30 -1.72 115.26 116.23 1x69 n ASN 44 Ca -0.05 -0.81 -0.43 0.00 0.87 0.00 0.00 54.58 54.16 1x69 n ASN 44 Cb 0.63 -4.15 -0.02 0.00 -1.02 0.00 0.00 39.78 35.22 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 -3.63 4.17 -0.53 2.41 1.01 -0.54 -3.68 121.20 120.40 1x69 s ILE 45 Ca 0.03 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.80 1x69 s ILE 45 Cb -0.01 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 38.11 1x69 s ILE 45 CO 0.81 -0.88 0.43 -1.61 0.00 0.00 0.00 174.94 173.68 1x69 s GLU 46 N 4.45 2.70 -0.45 2.79 8.01 0.14 -4.50 118.70 131.84 1x69 s GLU 46 Ca 0.51 -1.88 -0.26 0.00 0.01 0.00 0.00 54.97 53.34 1x69 s GLU 46 Cb -0.09 -4.04 -0.07 0.00 -4.31 0.00 0.00 34.13 25.62 1x69 s GLU 46 CO 0.30 -1.23 2.39 -1.33 0.01 0.00 0.00 175.26 175.40 1x69 n MET 47 N 4.78 1.17 0.08 1.61 2.81 -1.26 -1.36 117.12 124.95 1x69 n MET 47 Ca -0.06 0.08 -0.04 0.00 -1.81 0.00 0.00 57.70 55.87 1x69 n MET 47 Cb 0.41 -3.38 -0.02 0.00 -0.71 0.00 0.00 33.22 29.52 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 7.62 0.00 -4.02 2.02 1.08 -1.89 -3.48 117.51 118.84 1x69 h ILE 48 Ca -0.26 -0.64 -0.27 0.00 -0.39 0.00 0.00 64.86 63.29 1x69 h ILE 48 Cb 1.27 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 1x69 h ILE 48 CO 1.13 0.00 -0.22 -0.90 -0.69 0.00 0.00 178.15 177.47 1x69 n ASP 49 N -4.53 1.44 -1.74 1.72 5.75 -0.76 -5.02 116.55 113.41 1x69 n ASP 49 Ca -0.03 -2.03 -0.12 0.00 -0.01 0.00 0.00 54.79 52.59 1x69 n ASP 49 Cb 0.11 0.42 0.03 0.00 -1.03 0.00 0.00 41.12 40.65 1x69 n ASP 49 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x69 n ASP 50 N -1.65 5.74 0.00 -1.12 9.92 -1.26 -3.98 116.55 124.21 1x69 n ASP 50 Ca -0.04 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 1x69 n ASP 50 Cb 0.29 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 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 0.54 0.22 3.15 0.44 0.00 -1.26 -5.06 105.19 103.23 1x69 n GLY 51 Ca 0.22 -0.12 -0.26 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 -0.97 1.76 0.32 1.61 0.52 -1.26 -1.22 118.94 119.70 1x69 s TRP 52 Ca 0.00 -0.48 0.10 0.00 0.02 0.00 0.00 56.10 55.75 1x69 s TRP 52 Cb 0.00 -1.17 -0.06 0.00 -1.15 0.00 0.00 33.47 31.09 1x69 s TRP 52 CO 0.00 -0.14 -0.12 -1.58 0.02 0.00 0.00 176.95 175.12 1x69 s TRP 53 N -0.06 2.38 -0.18 -1.98 0.51 0.90 -1.83 118.94 118.68 1x69 s TRP 53 Ca -0.02 -0.43 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 1x69 s TRP 53 Cb -0.11 -1.26 0.04 0.00 -0.81 0.00 0.00 33.47 31.33 1x69 s TRP 53 CO 0.02 0.62 -0.09 1.03 -0.51 0.00 0.00 176.95 178.02 1x69 s ARG 54 N -3.59 1.86 0.20 4.98 0.52 -0.46 -1.03 118.95 121.42 1x69 s ARG 54 Ca 0.32 -0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 54.80 1x69 s ARG 54 Cb -0.00 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 1x69 s ARG 54 CO 0.16 -0.41 0.17 0.20 0.02 0.00 0.00 175.30 175.45 1x69 s GLY 55 N 1.48 1.21 -0.44 -3.53 0.00 -1.24 0.25 107.32 105.05 1x69 s GLY 55 Ca 0.00 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.01 1x69 s GLY 55 CO -0.08 -1.26 0.54 0.14 0.00 0.00 0.00 173.10 172.44 1x69 s VAL 56 N -4.12 4.95 -0.09 1.40 1.01 -0.70 -3.56 120.40 119.30 1x69 s VAL 56 Ca 0.34 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1x69 s VAL 56 Cb 0.06 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1x69 s VAL 56 CO 0.10 -0.54 -0.18 0.00 0.00 0.00 0.00 175.10 174.47 1x69 n LYS 58 N 3.07 -2.00 -1.21 0.00 4.76 -1.26 0.22 118.16 121.75 1x69 n LYS 58 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1x69 n LYS 58 Cb 0.52 -4.21 0.00 0.00 -1.84 0.00 0.00 35.03 29.50 1x69 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x69 n GLY 59 N -0.25 1.05 2.75 0.72 0.00 -1.26 -5.08 105.19 103.12 1x69 n GLY 59 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.67 -0.03 -0.29 1.61 1.81 0.61 -5.13 118.95 114.86 1x69 s ARG 60 Ca 0.00 0.39 -0.04 0.00 -1.72 0.00 0.00 55.73 54.35 1x69 s ARG 60 Cb 0.00 -0.38 0.03 0.00 -0.45 0.00 0.00 34.95 34.15 1x69 s ARG 60 CO 0.00 -0.28 0.03 -0.47 -0.68 0.00 0.00 175.30 173.90 1x69 s TYR 61 N 1.90 3.16 0.15 -0.53 5.04 -1.26 -0.14 117.35 125.68 1x69 s TYR 61 Ca 0.01 -1.38 -0.05 0.00 -2.44 0.00 0.00 57.07 53.21 1x69 s TYR 61 Cb -0.12 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 40.03 1x69 s TYR 61 CO -0.04 -0.69 0.29 0.41 -1.34 0.00 0.00 175.55 174.18 1x69 n GLY 62 N 4.76 1.78 3.75 8.97 0.00 -1.23 -4.97 105.19 118.25 1x69 n GLY 62 Ca -0.14 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 4.51 -0.05 0.99 1.43 0.43 -3.66 118.68 122.33 1x69 s LEU 63 Ca 0.07 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1x69 s LEU 63 Cb -0.02 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.84 1x69 s LEU 63 CO 0.05 0.05 0.28 0.72 0.23 0.00 0.00 176.35 177.68 1x69 s PHE 64 N -0.38 -0.21 0.23 0.29 -0.12 -0.20 -2.98 117.98 114.62 1x69 s PHE 64 Ca 0.41 0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 57.42 1x69 s PHE 64 Cb -0.22 0.08 -0.09 0.00 -0.63 0.00 0.00 43.02 42.16 1x69 s PHE 64 CO 0.27 -0.28 1.28 -1.25 -0.05 0.00 0.00 175.22 175.19 1x69 s PRO 65 N -0.72 4.41 0.00 1.99 0.04 -1.26 -0.07 135.00 139.39 1x69 s PRO 65 Ca -0.08 2.05 0.31 0.00 0.04 0.00 0.00 61.00 63.32 1x69 s PRO 65 Cb -0.04 -3.18 1.78 0.00 0.04 0.00 0.00 34.50 33.10 1x69 s PRO 65 CO 0.02 -0.19 2.16 0.00 0.04 0.00 0.00 177.00 179.04 1x69 n ALA 66 N 2.17 2.66 0.08 8.56 0.00 -0.36 -3.21 120.51 130.41 1x69 n ALA 66 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x69 n ALA 66 Cb 0.43 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 0.00 -0.47 0.00 4.21 -1.91 -3.25 115.58 114.31 1x69 h ASN 67 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1x69 h ASN 67 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1x69 h ASN 67 CO 0.00 0.62 0.00 -1.22 -1.29 0.00 0.00 177.43 175.54 1x69 n TYR 68 N -3.11 0.78 -3.85 1.19 4.02 -1.20 -4.90 117.16 110.10 1x69 n TYR 68 Ca -0.04 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.90 57.41 1x69 n TYR 68 Cb 0.82 -0.06 -0.07 0.00 -0.02 0.00 0.00 39.34 40.00 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 -1.49 0.13 -0.03 -0.72 -7.23 -1.23 -0.78 120.40 109.06 1x69 s VAL 69 Ca 0.33 -1.10 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1x69 s VAL 69 Cb 0.19 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.88 1x69 s VAL 69 CO 0.20 -0.61 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.56 1x69 s GLU 70 N -3.58 1.21 0.01 4.82 2.56 -0.13 -4.87 118.70 118.72 1x69 s GLU 70 Ca 0.03 -0.43 -0.32 0.00 0.00 0.00 0.00 54.97 54.25 1x69 s GLU 70 Cb 0.04 -1.11 -0.11 0.00 2.00 0.00 0.00 34.13 34.95 1x69 s GLU 70 CO -0.10 0.19 1.87 1.28 -0.56 0.00 0.00 175.26 177.94 1x69 n LEU 71 N 3.13 3.73 -4.41 2.70 4.77 -1.26 -0.81 117.00 124.84 1x69 n LEU 71 Ca -0.17 0.97 -0.44 0.00 -0.03 0.00 0.00 56.01 56.33 1x69 n LEU 71 Cb 0.54 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 1x69 n LEU 71 CO 0.25 0.04 0.72 -0.13 -1.33 0.00 0.00 177.39 176.94 1x69 s ARG 72 N 3.57 3.41 -0.25 3.23 1.81 0.77 -4.85 118.95 126.64 1x69 s ARG 72 Ca 0.88 -1.66 -0.42 0.00 -1.72 0.00 0.00 55.73 52.81 1x69 s ARG 72 Cb -0.58 -4.59 -0.18 0.00 -0.45 0.00 0.00 34.95 29.15 1x69 s ARG 72 CO 0.45 -1.64 1.50 0.00 -0.68 0.00 0.00 175.30 174.93 1x69 n GLN 73 N 6.20 0.51 -2.07 3.54 10.64 -1.26 -4.44 117.38 130.51 1x69 n GLN 73 Ca 0.11 0.19 -0.25 0.00 -1.83 0.00 0.00 57.00 55.21 1x69 n GLN 73 Cb 0.47 -1.76 0.02 0.00 -0.86 0.00 0.00 30.24 28.10 1x69 n GLN 73 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1x69 n SER 74 N 3.72 5.08 0.00 2.61 3.41 -1.26 -4.57 113.62 122.60 1x69 n SER 74 Ca 0.26 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1x69 n SER 74 Cb 0.06 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1x69 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x69 n GLY 75 N -0.68 -0.74 0.00 5.00 0.00 -1.26 -4.91 105.19 102.60 1x69 n GLY 75 Ca 0.44 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.72 1x69 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x69 n PRO 76 N -1.50 0.14 -0.33 1.61 -0.04 -1.26 -3.73 135.00 129.89 1x69 n PRO 76 Ca 0.00 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 1x69 n PRO 76 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 1x69 n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x69 h SER 77 N 0.00 -0.67 0.00 3.54 4.64 -1.91 -2.73 113.55 116.42 1x69 h SER 77 Ca 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1x69 h SER 77 Cb 0.17 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1x69 h SER 77 CO 0.00 -0.31 -0.14 -1.28 -0.87 0.00 0.00 176.83 174.23 1x69 h SER 78 N 0.01 0.00 0.00 4.97 0.87 -1.95 -3.53 113.55 113.92 1x69 h SER 78 Ca 0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1x69 h SER 78 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1x69 h SER 78 CO -0.92 0.55 0.00 0.61 -0.53 0.00 0.00 176.83 176.54