#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 1.63 -0.14 1.61 1.04 -1.26 -5.04 113.70 111.54 1x69 s SER 2 Ca 0.00 -0.27 -0.26 0.00 0.48 0.00 0.00 55.95 55.90 1x69 s SER 2 Cb 0.00 -0.66 -0.25 0.00 0.10 0.00 0.00 66.02 65.21 1x69 s SER 2 CO 0.00 0.05 0.68 0.77 0.98 0.00 0.00 173.24 175.71 1x69 h SER 3 N 6.77 0.07 -5.74 7.02 4.64 -2.12 -3.48 113.55 120.71 1x69 h SER 3 Ca -0.32 -0.90 -0.35 0.00 -0.47 0.00 0.00 61.79 59.74 1x69 h SER 3 Cb 1.18 -0.02 0.15 0.00 -0.31 0.00 0.00 62.40 63.40 1x69 h SER 3 CO 0.48 1.15 -0.75 0.61 -0.87 0.00 0.00 176.83 177.45 1x69 n GLY 4 N 1.59 -0.40 3.71 -0.77 0.00 -1.26 -4.90 105.19 103.16 1x69 n GLY 4 Ca -0.15 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1x69 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x69 s SER 5 N -4.10 6.43 -0.00 1.61 0.15 -1.26 -4.88 113.70 111.65 1x69 s SER 5 Ca 0.15 2.78 -0.00 0.00 0.70 0.00 0.00 55.95 59.58 1x69 s SER 5 Cb -0.07 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1x69 s SER 5 CO 0.74 -0.96 -0.01 -1.54 1.20 0.00 0.00 173.24 172.67 1x69 n SER 6 N 4.59 0.11 0.00 5.45 3.41 -1.26 -5.10 113.62 120.82 1x69 n SER 6 Ca 0.16 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1x69 n SER 6 Cb 0.37 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 2.98 0.23 2.99 5.00 0.00 -1.26 -5.17 105.19 109.96 1x69 n GLY 7 Ca -0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x69 s THR 8 N 0.00 -0.04 0.18 2.61 2.01 -1.26 -5.16 115.64 113.98 1x69 s THR 8 Ca 0.00 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1x69 s THR 8 Cb 0.00 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 1x69 s THR 8 CO 0.00 0.06 0.22 -0.72 -0.69 0.00 0.00 174.62 173.49 1x69 s TYR 9 N 1.03 0.68 -0.10 4.92 1.13 -1.26 -5.16 117.35 118.59 1x69 s TYR 9 Ca -0.08 -1.01 0.03 0.00 -1.41 0.00 0.00 57.07 54.61 1x69 s TYR 9 Cb -0.09 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1x69 s TYR 9 CO -0.06 -0.70 -0.21 0.16 -2.51 0.00 0.00 175.55 172.24 1x69 s ASP 10 N -3.04 2.79 -0.31 -0.18 -4.77 -1.26 -5.10 116.67 104.80 1x69 s ASP 10 Ca 0.25 -0.50 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 1x69 s ASP 10 Cb 0.05 -1.28 0.10 0.00 -1.09 0.00 0.00 42.92 40.70 1x69 s ASP 10 CO 0.05 0.12 0.08 -0.70 0.70 0.00 0.00 175.17 175.42 1x69 s GLU 11 N 0.50 0.90 0.85 2.11 2.56 -1.26 -5.13 118.70 119.23 1x69 s GLU 11 Ca -0.16 -1.24 -0.11 0.00 0.00 0.00 0.00 54.97 53.46 1x69 s GLU 11 Cb -0.17 -2.27 0.18 0.00 2.00 0.00 0.00 34.13 33.87 1x69 s GLU 11 CO 0.06 -0.96 0.40 2.48 -0.56 0.00 0.00 175.26 176.68 1x69 n TYR 12 N 4.72 -2.42 -3.47 5.30 4.11 -1.26 -4.92 117.16 119.21 1x69 n TYR 12 Ca -0.01 -0.16 -0.43 0.00 -0.00 0.00 0.00 57.90 57.30 1x69 n TYR 12 Cb 0.42 -1.03 -0.09 0.00 -0.00 0.00 0.00 39.34 38.65 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 -3.36 2.84 -0.18 -3.48 -1.05 -1.26 -4.92 118.70 107.29 1x69 s GLU 13 Ca 0.31 -1.37 -0.17 0.00 -0.15 0.00 0.00 54.97 53.59 1x69 s GLU 13 Cb -0.05 -3.99 -0.06 0.00 -0.44 0.00 0.00 34.13 29.58 1x69 s GLU 13 CO 0.26 -0.98 -0.33 0.27 0.95 0.00 0.00 175.26 175.42 1x69 n ASN 14 N 5.10 1.93 -4.18 0.83 6.94 -1.26 -4.99 115.26 119.63 1x69 n ASN 14 Ca -0.12 0.36 -0.30 0.00 -0.02 0.00 0.00 54.58 54.50 1x69 n ASN 14 Cb 0.44 -0.76 -0.17 0.00 -2.36 0.00 0.00 39.78 36.93 1x69 n ASN 14 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1x69 s ASP 15 N -6.02 2.74 -0.15 0.53 -1.08 -1.26 -5.00 116.67 106.43 1x69 s ASP 15 Ca -0.29 -0.48 0.17 0.00 -0.52 0.00 0.00 52.55 51.43 1x69 s ASP 15 Cb 0.05 -1.15 0.42 0.00 -1.46 0.00 0.00 42.92 40.78 1x69 s ASP 15 CO 0.42 0.14 1.31 0.18 0.52 0.00 0.00 175.17 177.75 1x69 n LEU 16 N 3.47 3.28 0.00 -1.34 4.77 -1.26 -4.84 117.00 121.09 1x69 n LEU 16 Ca -0.20 -2.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 1x69 n LEU 16 Cb 0.53 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1x69 n LEU 16 CO 0.27 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1x69 n GLY 17 N -0.75 1.07 3.77 -0.72 0.00 -1.26 -0.96 105.19 106.35 1x69 n GLY 17 Ca 0.18 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 3.95 0.19 -0.61 1.01 -1.26 -4.72 121.20 119.76 1x69 s ILE 18 Ca 0.00 1.70 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1x69 s ILE 18 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1x69 s ILE 18 CO 0.00 0.20 -0.17 0.42 0.00 0.00 0.00 174.94 175.40 1x69 s THR 19 N -1.48 1.82 0.17 2.92 -4.23 -1.26 -1.30 115.64 112.28 1x69 s THR 19 Ca 0.50 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 1x69 s THR 19 Cb -0.23 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.69 1x69 s THR 19 CO 0.29 -0.44 0.46 0.00 -0.54 0.00 0.00 174.62 174.39 1x69 s ALA 20 N -2.45 -0.85 -0.12 3.99 0.00 -1.20 -2.67 121.76 118.45 1x69 s ALA 20 Ca 0.19 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1x69 s ALA 20 Cb -0.04 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1x69 s ALA 20 CO 0.07 -0.73 -0.22 0.54 0.00 0.00 0.00 175.76 175.42 1x69 s VAL 21 N -3.86 2.01 0.46 0.00 0.11 0.80 -2.20 120.40 117.73 1x69 s VAL 21 Ca 0.08 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 57.91 1x69 s VAL 21 Cb 0.00 -1.76 -0.08 0.00 -1.53 0.00 0.00 36.38 33.02 1x69 s VAL 21 CO -0.06 0.54 1.41 0.00 -3.33 0.00 0.00 175.10 173.66 1x69 s ALA 22 N 0.64 3.18 -0.22 1.54 0.00 -1.06 -1.25 121.76 124.59 1x69 s ALA 22 Ca -0.12 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.35 1x69 s ALA 22 Cb -0.16 -3.58 -0.18 0.00 0.00 0.00 0.00 23.12 19.19 1x69 s ALA 22 CO 0.02 -1.20 -0.11 1.28 0.00 0.00 0.00 175.76 175.75 1x69 n LEU 23 N -0.29 1.91 -3.93 0.00 4.77 -0.03 0.08 117.00 119.51 1x69 n LEU 23 Ca 0.06 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1x69 n LEU 23 Cb 0.42 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1x69 n LEU 23 CO 0.58 0.74 -0.29 -0.31 -1.33 0.00 0.00 177.39 176.78 1x69 s TYR 24 N -2.46 0.15 0.40 -1.77 1.51 -1.23 -4.58 117.35 109.36 1x69 s TYR 24 Ca -0.24 -0.32 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 1x69 s TYR 24 Cb 0.07 -0.12 -0.11 0.00 -0.11 0.00 0.00 41.96 41.69 1x69 s TYR 24 CO 0.62 -0.20 0.96 -0.40 -1.11 0.00 0.00 175.55 175.42 1x69 n ASP 25 N 1.71 1.03 -3.69 2.29 5.75 -1.26 -4.45 116.55 117.94 1x69 n ASP 25 Ca -0.22 1.05 -0.15 0.00 -0.01 0.00 0.00 54.79 55.46 1x69 n ASP 25 Cb 0.56 -1.32 -0.14 0.00 -1.03 0.00 0.00 41.12 39.19 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 -1.26 -0.26 -0.46 2.11 6.14 -1.01 -4.94 117.35 117.68 1x69 s TYR 26 Ca 0.62 0.70 -0.04 0.00 0.64 0.00 0.00 57.07 58.99 1x69 s TYR 26 Cb -0.59 -0.12 0.12 0.00 0.42 0.00 0.00 41.96 41.79 1x69 s TYR 26 CO 0.57 -0.26 0.27 1.14 0.64 0.00 0.00 175.55 177.91 1x69 s GLN 27 N 1.92 2.16 0.15 4.97 0.00 -1.26 -2.17 119.66 125.43 1x69 s GLN 27 Ca -0.02 -1.96 -0.32 0.00 -0.00 0.00 0.00 55.36 53.06 1x69 s GLN 27 Cb -0.12 -3.65 -0.17 0.00 0.00 0.00 0.00 33.01 29.07 1x69 s GLN 27 CO -0.07 -1.11 0.87 0.00 0.00 0.00 0.00 175.29 174.98 1x69 n ALA 28 N 4.41 -2.29 0.13 2.60 0.00 -1.24 -4.89 120.51 119.23 1x69 n ALA 28 Ca -0.01 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1x69 n ALA 28 Cb 0.41 -1.79 -0.15 0.00 0.00 0.00 0.00 19.45 17.91 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 2.19 -0.07 -2.17 0.00 0.00 -1.91 -3.47 119.26 113.83 1x69 h ALA 29 Ca -0.39 -0.92 -0.46 0.00 0.00 0.00 0.00 54.91 53.15 1x69 h ALA 29 Cb 1.40 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 1x69 h ALA 29 CO 0.63 0.80 -0.71 0.20 0.00 0.00 0.00 179.25 180.17 1x69 s GLY 30 N -4.70 1.58 0.47 0.00 0.00 -1.26 -5.02 107.32 98.38 1x69 s GLY 30 Ca -0.09 -1.75 0.26 0.00 0.00 0.00 0.00 44.72 43.13 1x69 s GLY 30 CO 0.92 -1.78 1.81 -1.80 0.00 0.00 0.00 173.10 172.26 1x69 h ASP 31 N 2.45 0.23 -0.91 1.64 1.82 -2.03 0.22 116.42 119.83 1x69 h ASP 31 Ca -0.39 0.04 0.06 0.00 -0.39 0.00 0.00 57.03 56.36 1x69 h ASP 31 Cb 1.23 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.17 1x69 h ASP 31 CO 0.64 0.05 0.58 -2.24 -1.61 0.00 0.00 179.24 176.66 1x69 h ASP 32 N 0.21 0.91 -3.52 2.28 2.03 -1.95 -3.43 116.42 112.94 1x69 h ASP 32 Ca 0.54 0.02 -0.49 0.00 -0.73 0.00 0.00 57.03 56.36 1x69 h ASP 32 Cb 1.72 -0.18 0.03 0.00 -0.83 0.00 0.00 39.33 40.08 1x69 h ASP 32 CO -0.14 0.58 0.10 -1.61 -1.03 0.00 0.00 179.24 177.13 1x69 s GLU 33 N -6.05 3.49 0.14 4.15 2.02 0.76 -0.47 118.70 122.73 1x69 s GLU 33 Ca -0.13 0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.09 1x69 s GLU 33 Cb 0.19 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 1x69 s GLU 33 CO 0.80 -0.22 -0.08 0.96 0.02 0.00 0.00 175.26 176.73 1x69 s ILE 34 N -2.74 3.37 -0.15 -1.63 -4.36 -1.06 -4.75 121.20 109.89 1x69 s ILE 34 Ca 0.47 -1.41 -0.01 0.00 -0.26 0.00 0.00 60.65 59.44 1x69 s ILE 34 Cb -0.10 -2.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 1x69 s ILE 34 CO 0.44 0.01 -0.10 -0.44 0.24 0.00 0.00 174.94 175.10 1x69 s SER 35 N -2.50 4.24 0.02 4.36 0.01 -1.26 -3.64 113.70 114.93 1x69 s SER 35 Ca 0.23 -0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.15 1x69 s SER 35 Cb -0.10 -1.67 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 1x69 s SER 35 CO 0.15 0.15 0.10 0.72 0.41 0.00 0.00 173.24 174.76 1x69 s PHE 36 N 0.48 0.14 0.61 2.43 -0.12 -0.92 -4.95 117.98 115.64 1x69 s PHE 36 Ca -0.07 -0.34 -0.10 0.00 -0.05 0.00 0.00 56.93 56.37 1x69 s PHE 36 Cb -0.15 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1x69 s PHE 36 CO 0.04 -0.30 0.99 -0.51 -0.05 0.00 0.00 175.22 175.38 1x69 s ASP 37 N -1.70 6.02 0.26 1.98 1.01 -1.26 -2.40 116.67 120.58 1x69 s ASP 37 Ca -0.11 1.21 -0.29 0.00 0.71 0.00 0.00 52.55 54.06 1x69 s ASP 37 Cb -0.05 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 41.53 1x69 s ASP 37 CO -0.01 -0.93 1.26 -2.16 0.21 0.00 0.00 175.17 173.53 1x69 s PRO 38 N -5.12 4.43 -0.59 8.23 0.04 -1.26 -3.02 135.00 137.72 1x69 s PRO 38 Ca 0.54 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1x69 s PRO 38 Cb -0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x69 s PRO 38 CO 0.51 -0.13 0.00 -3.47 0.04 0.00 0.00 177.00 173.96 1x69 n ASP 39 N 1.66 -2.90 -4.70 6.66 -0.08 0.11 -4.94 116.55 112.37 1x69 n ASP 39 Ca 0.02 0.05 -0.24 0.00 -1.51 0.00 0.00 54.79 53.11 1x69 n ASP 39 Cb 0.43 -1.84 0.10 0.00 2.34 0.00 0.00 41.12 42.15 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1x69 s ASP 40 N -2.78 4.42 -0.10 1.67 1.01 -1.17 -4.77 116.67 114.96 1x69 s ASP 40 Ca 0.00 -0.19 0.04 0.00 0.71 0.00 0.00 52.55 53.11 1x69 s ASP 40 Cb 0.00 -0.26 -0.00 0.00 1.01 0.00 0.00 42.92 43.67 1x69 s ASP 40 CO 0.00 -1.81 -0.23 -0.63 0.21 0.00 0.00 175.17 172.71 1x69 s ILE 41 N -3.16 2.19 0.06 0.77 -1.09 -1.26 -2.58 121.20 116.13 1x69 s ILE 41 Ca 0.65 -0.98 0.09 0.00 -2.23 0.00 0.00 60.65 58.18 1x69 s ILE 41 Cb -0.06 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.95 1x69 s ILE 41 CO 0.44 0.56 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.82 1x69 s ILE 42 N 0.27 2.25 0.28 2.92 1.09 -0.93 -4.72 121.20 122.35 1x69 s ILE 42 Ca -0.16 -1.43 0.07 0.00 -1.10 0.00 0.00 60.65 58.03 1x69 s ILE 42 Cb -0.17 -1.91 -0.06 0.00 -1.06 0.00 0.00 42.46 39.27 1x69 s ILE 42 CO 0.08 0.31 -0.07 0.42 -0.10 0.00 0.00 174.94 175.58 1x69 s THR 43 N -0.87 1.73 -1.34 2.92 -4.23 -1.17 -3.28 115.64 109.41 1x69 s THR 43 Ca 0.13 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1x69 s THR 43 Cb -0.10 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.31 1x69 s THR 43 CO 0.03 -0.31 0.78 0.59 -0.54 0.00 0.00 174.62 175.17 1x69 n ASN 44 N -0.59 -1.94 -4.67 3.99 4.13 -0.13 -1.45 115.26 114.60 1x69 n ASN 44 Ca -0.06 -0.79 -0.43 0.00 1.68 0.00 0.00 54.58 54.99 1x69 n ASN 44 Cb 0.63 -4.13 -0.02 0.00 -1.54 0.00 0.00 39.78 34.72 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 -3.58 4.48 -0.19 2.41 1.01 -0.42 -3.57 121.20 121.35 1x69 s ILE 45 Ca 0.12 1.79 -0.10 0.00 0.00 0.00 0.00 60.65 62.47 1x69 s ILE 45 Cb -0.06 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1x69 s ILE 45 CO 0.81 -0.12 0.12 -0.70 0.00 0.00 0.00 174.94 175.05 1x69 s GLU 46 N 3.06 4.12 -0.59 2.79 2.12 0.18 -4.10 118.70 126.27 1x69 s GLU 46 Ca 0.50 -0.22 -0.21 0.00 0.36 0.00 0.00 54.97 55.40 1x69 s GLU 46 Cb -0.19 -3.38 0.07 0.00 0.26 0.00 0.00 34.13 30.89 1x69 s GLU 46 CO 0.13 0.33 0.82 -1.64 -0.54 0.00 0.00 175.26 174.36 1x69 s MET 47 N 0.26 3.13 -0.04 4.30 -1.94 -1.26 -1.80 119.30 121.94 1x69 s MET 47 Ca 0.08 -0.89 -0.08 0.00 -1.71 0.00 0.00 55.69 53.09 1x69 s MET 47 Cb -0.11 -4.18 -0.03 0.00 2.01 0.00 0.00 34.83 32.51 1x69 s MET 47 CO -0.01 -1.56 -0.16 -0.89 -0.01 0.00 0.00 175.02 172.38 1x69 n ILE 48 N 5.80 1.27 -4.79 2.53 5.41 -1.26 -5.02 119.36 123.30 1x69 n ILE 48 Ca -0.05 0.23 -0.33 0.00 1.00 0.00 0.00 62.75 63.60 1x69 n ILE 48 Cb 0.45 -1.90 -0.14 0.00 -0.71 0.00 0.00 39.64 37.34 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 -5.98 4.00 0.57 4.38 1.01 0.67 -4.97 116.67 116.35 1x69 s ASP 49 Ca -0.14 -0.32 0.18 0.00 0.71 0.00 0.00 52.55 52.98 1x69 s ASP 49 Cb 0.02 -1.57 0.98 0.00 1.01 0.00 0.00 42.92 43.36 1x69 s ASP 49 CO 0.20 0.17 1.52 -2.24 0.21 0.00 0.00 175.17 175.03 1x69 h ASP 50 N 6.63 0.00 0.00 0.27 2.03 -2.01 0.22 116.42 123.57 1x69 h ASP 50 Ca -0.26 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.97 1x69 h ASP 50 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 1x69 h ASP 50 CO 0.55 0.00 -1.51 0.61 -1.03 0.00 0.00 179.24 177.86 1x69 n GLY 51 N -1.29 -0.44 3.16 7.15 0.00 -1.26 -4.84 105.19 107.66 1x69 n GLY 51 Ca -0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.49 1.25 0.39 1.61 0.52 0.77 -0.16 118.94 120.83 1x69 s TRP 52 Ca -0.04 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.75 1x69 s TRP 52 Cb 0.05 -0.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.62 1x69 s TRP 52 CO 0.39 0.05 0.20 -1.58 0.02 0.00 0.00 176.95 176.03 1x69 s TRP 53 N -0.98 1.78 -0.15 -1.98 0.51 0.82 -0.23 118.94 118.71 1x69 s TRP 53 Ca 0.01 -1.49 -0.04 0.00 -2.12 0.00 0.00 56.10 52.46 1x69 s TRP 53 Cb -0.09 -0.97 0.07 0.00 -0.81 0.00 0.00 33.47 31.68 1x69 s TRP 53 CO 0.02 -0.58 0.16 1.03 -0.51 0.00 0.00 176.95 177.07 1x69 s ARG 54 N -3.56 0.09 0.20 4.98 0.52 -0.74 -1.11 118.95 119.33 1x69 s ARG 54 Ca 0.30 0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.73 1x69 s ARG 54 Cb 0.02 -1.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 1x69 s ARG 54 CO 0.21 -0.53 0.19 0.20 0.02 0.00 0.00 175.30 175.39 1x69 s GLY 55 N 2.26 1.17 -0.53 -3.53 0.00 -1.24 0.51 107.32 105.96 1x69 s GLY 55 Ca 0.04 -1.48 -0.20 0.00 0.00 0.00 0.00 44.72 43.08 1x69 s GLY 55 CO -0.09 -1.23 0.71 0.14 0.00 0.00 0.00 173.10 172.64 1x69 s VAL 56 N -4.11 4.74 -0.15 1.40 1.01 -0.53 -3.58 120.40 119.18 1x69 s VAL 56 Ca 0.33 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1x69 s VAL 56 Cb 0.05 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1x69 s VAL 56 CO 0.10 -0.93 -0.15 0.00 0.00 0.00 0.00 175.10 174.12 1x69 n LYS 58 N 4.01 -2.87 -2.54 0.00 5.02 -1.26 -0.81 118.16 119.70 1x69 n LYS 58 Ca -0.19 0.50 -0.02 0.00 -2.02 0.00 0.00 58.31 56.58 1x69 n LYS 58 Cb 0.52 -5.15 0.01 0.00 -0.02 0.00 0.00 35.03 30.39 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 -0.97 0.79 3.19 0.72 0.00 -1.26 -5.06 105.19 102.59 1x69 n GLY 59 Ca -0.07 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.01 0.30 -0.27 1.61 0.52 0.01 -5.13 118.95 110.98 1x69 s ARG 60 Ca 0.04 0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 56.03 1x69 s ARG 60 Cb -0.02 0.05 0.03 0.00 0.52 0.00 0.00 34.95 35.53 1x69 s ARG 60 CO 0.06 -0.20 -0.03 -0.47 0.02 0.00 0.00 175.30 174.68 1x69 s TYR 61 N 1.84 3.13 0.16 -0.53 5.04 -1.26 -0.12 117.35 125.63 1x69 s TYR 61 Ca -0.06 -1.57 -0.05 0.00 -2.44 0.00 0.00 57.07 52.95 1x69 s TYR 61 Cb -0.10 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.13 1x69 s TYR 61 CO -0.11 -0.73 0.31 0.41 -1.34 0.00 0.00 175.55 174.08 1x69 n GLY 62 N 4.68 1.77 3.77 8.97 0.00 -1.23 -4.96 105.19 118.18 1x69 n GLY 62 Ca -0.15 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 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 4.60 -0.12 0.99 1.43 0.38 -3.62 118.68 122.34 1x69 s LEU 63 Ca 0.08 1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.80 1x69 s LEU 63 Cb -0.02 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.74 1x69 s LEU 63 CO 0.06 0.16 0.45 0.72 0.23 0.00 0.00 176.35 177.97 1x69 s PHE 64 N -1.21 -0.45 0.06 0.29 -0.71 -0.27 -2.55 117.98 113.14 1x69 s PHE 64 Ca 0.40 1.00 -0.31 0.00 -1.04 0.00 0.00 56.93 56.98 1x69 s PHE 64 Cb -0.24 0.18 -0.07 0.00 -1.21 0.00 0.00 43.02 41.69 1x69 s PHE 64 CO 0.29 -0.32 1.40 -1.25 -1.34 0.00 0.00 175.22 174.00 1x69 s PRO 65 N -0.29 4.30 0.00 1.99 0.04 -1.26 -0.13 135.00 139.65 1x69 s PRO 65 Ca -0.05 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.20 1x69 s PRO 65 Cb -0.03 -3.41 0.99 0.00 0.04 0.00 0.00 34.50 32.09 1x69 s PRO 65 CO 0.03 -0.51 1.46 0.00 0.04 0.00 0.00 177.00 178.02 1x69 n ALA 66 N 4.66 2.09 0.10 8.56 0.00 0.77 -2.73 120.51 133.96 1x69 n ALA 66 Ca 0.12 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1x69 n ALA 66 Cb 0.43 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 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 0.70 0.00 0.00 2.35 -1.90 -3.25 115.58 113.47 1x69 h ASN 67 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 1x69 h ASN 67 Cb 0.04 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1x69 h ASN 67 CO 0.00 1.68 0.00 -1.22 -1.65 0.00 0.00 177.43 176.24 1x69 n TYR 68 N -3.77 0.00 -4.10 1.19 4.02 -1.11 -4.79 117.16 108.61 1x69 n TYR 68 Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.60 1x69 n TYR 68 Cb 1.04 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.27 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 0.10 -0.02 -0.72 -7.23 -1.23 -0.85 120.40 108.45 1x69 s VAL 69 Ca 0.05 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1x69 s VAL 69 Cb 0.02 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 35.02 1x69 s VAL 69 CO 0.04 -0.44 0.03 -0.70 -0.31 0.00 0.00 175.10 173.72 1x69 s GLU 70 N -4.02 -0.03 0.10 4.82 2.56 -0.38 -4.85 118.70 116.89 1x69 s GLU 70 Ca 0.22 0.17 -0.31 0.00 0.00 0.00 0.00 54.97 55.05 1x69 s GLU 70 Cb 0.06 -0.23 -0.07 0.00 2.00 0.00 0.00 34.13 35.89 1x69 s GLU 70 CO 0.01 -0.16 1.33 -0.51 -0.56 0.00 0.00 175.26 175.37 1x69 s LEU 71 N 0.99 4.37 0.62 2.70 1.43 -1.26 -0.14 118.68 127.39 1x69 s LEU 71 Ca -0.08 2.23 -0.06 0.00 -1.03 0.00 0.00 54.13 55.18 1x69 s LEU 71 Cb -0.12 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1x69 s LEU 71 CO -0.03 -0.59 0.94 -0.13 0.23 0.00 0.00 176.35 176.76 1x69 s ARG 72 N 1.10 2.79 -1.38 1.70 0.52 -1.09 -4.29 118.95 118.30 1x69 s ARG 72 Ca 0.63 -0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.80 1x69 s ARG 72 Cb -0.34 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 32.91 1x69 s ARG 72 CO 0.30 -0.82 0.68 1.04 0.02 0.00 0.00 175.30 176.52 1x69 n GLN 73 N -2.68 -4.58 -3.87 3.54 1.13 -1.26 -4.89 117.38 104.77 1x69 n GLN 73 Ca 0.05 0.56 -0.25 0.00 -1.94 0.00 0.00 57.00 55.42 1x69 n GLN 73 Cb 0.58 -5.07 -0.17 0.00 0.11 0.00 0.00 30.24 25.69 1x69 n GLN 73 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x69 s SER 74 N -4.17 1.96 0.00 1.08 0.15 -1.26 -4.95 113.70 106.52 1x69 s SER 74 Ca 0.13 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x69 s SER 74 Cb -0.06 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1x69 s SER 74 CO 0.84 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.74 1x69 n GLY 75 N 4.99 0.12 0.07 9.45 0.00 -1.26 -5.04 105.19 113.52 1x69 n GLY 75 Ca -0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.05 -7.10 1.61 0.13 -1.98 -3.39 132.00 121.22 1x69 h PRO 76 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1x69 h PRO 76 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 1x69 h PRO 76 CO 0.00 0.42 0.37 -1.54 -0.23 0.00 0.00 178.00 177.01 1x69 s SER 77 N -5.62 6.55 -1.60 1.44 1.04 -1.26 -3.68 113.70 110.57 1x69 s SER 77 Ca -0.15 1.78 -0.15 0.00 0.48 0.00 0.00 55.95 57.91 1x69 s SER 77 Cb 0.02 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.70 1x69 s SER 77 CO 0.65 -0.64 0.84 -0.24 0.98 0.00 0.00 173.24 174.83 1x69 n SER 78 N -1.04 -3.66 0.00 7.02 2.88 -1.26 -5.21 113.62 112.35 1x69 n SER 78 Ca 0.08 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 1x69 n SER 78 Cb 0.53 -3.30 0.00 0.00 -0.75 0.00 0.00 64.21 60.69 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42