#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 3.42 -0.56 1.61 0.15 -1.26 -5.01 113.70 112.05 1x69 s SER 2 Ca 0.00 -1.05 -0.02 0.00 0.70 0.00 0.00 55.95 55.58 1x69 s SER 2 Cb 0.00 -0.88 0.32 0.00 -1.71 0.00 0.00 66.02 63.75 1x69 s SER 2 CO 0.00 -0.28 2.11 -0.24 1.20 0.00 0.00 173.24 176.03 1x69 n SER 3 N 4.86 7.19 -3.63 5.45 2.88 -1.26 -4.91 113.62 124.20 1x69 n SER 3 Ca -0.10 -3.52 -0.03 0.00 -1.33 0.00 0.00 58.87 53.90 1x69 n SER 3 Cb 0.45 -1.04 -0.02 0.00 -0.75 0.00 0.00 64.21 62.85 1x69 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x69 s GLY 4 N -0.89 -0.23 1.24 0.46 0.00 -1.26 -5.17 107.32 101.48 1x69 s GLY 4 Ca 0.52 1.83 -0.18 0.00 0.00 0.00 0.00 44.72 46.89 1x69 s GLY 4 CO -0.09 0.61 0.60 -1.14 0.00 0.00 0.00 173.10 173.09 1x69 n SER 5 N -0.03 -3.24 -4.48 1.64 3.41 -1.26 -5.00 113.62 104.66 1x69 n SER 5 Ca 0.04 -0.53 -0.33 0.00 -0.26 0.00 0.00 58.87 57.79 1x69 n SER 5 Cb 0.57 -0.96 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 1x69 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x69 s SER 6 N -2.46 4.58 0.36 4.04 0.01 -1.26 -5.11 113.70 113.87 1x69 s SER 6 Ca 0.56 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.69 1x69 s SER 6 Cb -0.12 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 1x69 s SER 6 CO 0.51 0.20 0.12 0.61 0.41 0.00 0.00 173.24 175.10 1x69 n GLY 7 N 3.31 3.36 0.00 3.44 0.00 -1.26 -5.06 105.19 108.97 1x69 n GLY 7 Ca -0.18 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x69 n THR 8 N -0.81 0.00 -3.06 2.61 -2.24 -1.26 -5.06 114.28 104.46 1x69 n THR 8 Ca -0.06 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.11 1x69 n THR 8 Cb 0.54 0.99 0.03 0.00 -2.10 0.00 0.00 70.33 69.78 1x69 n THR 8 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1x69 s TYR 9 N -0.90 2.16 -0.16 4.78 5.04 -1.26 -4.99 117.35 122.02 1x69 s TYR 9 Ca 0.00 -0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 54.07 1x69 s TYR 9 Cb 0.00 -2.29 0.13 0.00 0.35 0.00 0.00 41.96 40.15 1x69 s TYR 9 CO 0.00 -0.74 1.79 -3.47 -1.34 0.00 0.00 175.55 171.79 1x69 n ASP 10 N -2.01 5.16 -4.46 4.32 2.03 -1.26 -4.83 116.55 115.50 1x69 n ASP 10 Ca 0.11 -2.66 -0.43 0.00 0.52 0.00 0.00 54.79 52.32 1x69 n ASP 10 Cb 0.60 -0.95 -0.09 0.00 -0.72 0.00 0.00 41.12 39.97 1x69 n ASP 10 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x69 s GLU 11 N -0.94 3.06 -0.07 -0.67 -1.05 -1.26 -4.95 118.70 112.81 1x69 s GLU 11 Ca 0.16 -0.90 -0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1x69 s GLU 11 Cb 0.13 -4.00 -0.00 0.00 -0.44 0.00 0.00 34.13 29.81 1x69 s GLU 11 CO 0.01 -0.89 -0.01 -0.92 0.95 0.00 0.00 175.26 174.40 1x69 h TYR 12 N 8.74 0.00 -2.06 4.83 3.20 -2.04 -3.42 116.97 126.21 1x69 h TYR 12 Ca -0.27 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.07 1x69 h TYR 12 Cb 1.11 0.00 -0.41 0.00 1.54 0.00 0.00 36.73 38.97 1x69 h TYR 12 CO 0.62 0.00 -0.93 -1.91 -1.64 0.00 0.00 178.16 174.30 1x69 n GLU 13 N -4.00 2.09 -3.64 1.82 2.13 -1.26 -4.99 120.64 112.78 1x69 n GLU 13 Ca -0.00 -4.08 -0.36 0.00 0.66 0.00 0.00 57.16 53.38 1x69 n GLU 13 Cb 0.01 -1.94 -0.07 0.00 0.27 0.00 0.00 31.44 29.71 1x69 n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1x69 s ASN 14 N -2.97 5.98 -0.69 4.31 -0.87 -1.26 -4.96 114.94 114.48 1x69 s ASN 14 Ca 0.44 -3.73 0.05 0.00 -1.57 0.00 0.00 52.86 48.05 1x69 s ASN 14 Cb 0.33 -1.90 0.17 0.00 -0.02 0.00 0.00 41.25 39.82 1x69 s ASN 14 CO -0.11 -0.18 0.48 -1.81 -2.57 0.00 0.00 177.10 172.92 1x69 s ASP 15 N -0.16 4.67 0.06 -1.22 1.01 -1.26 -4.91 116.67 114.85 1x69 s ASP 15 Ca 0.27 -3.81 -0.16 0.00 0.71 0.00 0.00 52.55 49.56 1x69 s ASP 15 Cb -0.07 -1.58 -0.19 0.00 1.01 0.00 0.00 42.92 42.09 1x69 s ASP 15 CO -0.13 -0.09 1.22 -0.07 0.21 0.00 0.00 175.17 176.32 1x69 h LEU 16 N 5.43 0.74 0.00 1.23 4.07 -1.99 -3.45 115.31 121.33 1x69 h LEU 16 Ca 0.15 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1x69 h LEU 16 Cb 0.76 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1x69 h LEU 16 CO 0.70 1.29 0.00 0.61 -1.08 0.00 0.00 178.44 179.97 1x69 n GLY 17 N 0.82 0.39 3.74 0.83 0.00 -1.26 0.61 105.19 110.31 1x69 n GLY 17 Ca -0.09 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 4.43 0.15 -0.61 1.01 -1.26 -4.78 121.20 120.14 1x69 s ILE 18 Ca 0.00 2.02 0.10 0.00 0.00 0.00 0.00 60.65 62.77 1x69 s ILE 18 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1x69 s ILE 18 CO 0.00 0.37 -0.22 0.42 0.00 0.00 0.00 174.94 175.50 1x69 s THR 19 N -0.30 2.05 0.22 2.92 -4.23 -1.26 -2.06 115.64 112.98 1x69 s THR 19 Ca 0.44 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 1x69 s THR 19 Cb -0.24 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 1x69 s THR 19 CO 0.29 -0.11 0.38 0.00 -0.54 0.00 0.00 174.62 174.64 1x69 s ALA 20 N -1.53 0.02 -0.07 3.99 0.00 -1.00 -2.14 121.76 121.02 1x69 s ALA 20 Ca 0.15 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1x69 s ALA 20 Cb -0.08 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1x69 s ALA 20 CO 0.07 -0.76 -0.19 0.54 0.00 0.00 0.00 175.76 175.42 1x69 s VAL 21 N -4.02 1.67 0.54 0.00 0.11 0.72 -1.35 120.40 118.06 1x69 s VAL 21 Ca 0.23 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 58.27 1x69 s VAL 21 Cb 0.02 -1.45 -0.06 0.00 -1.53 0.00 0.00 36.38 33.36 1x69 s VAL 21 CO 0.07 0.47 1.15 0.00 -3.33 0.00 0.00 175.10 173.46 1x69 s ALA 22 N 0.29 2.71 -0.15 1.54 0.00 -0.74 0.10 121.76 125.51 1x69 s ALA 22 Ca -0.12 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1x69 s ALA 22 Cb -0.15 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 1x69 s ALA 22 CO 0.05 -0.83 -0.04 1.28 0.00 0.00 0.00 175.76 176.22 1x69 n LEU 23 N -1.23 1.31 -4.01 0.00 4.77 -0.14 -1.12 117.00 116.58 1x69 n LEU 23 Ca 0.11 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1x69 n LEU 23 Cb 0.50 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1x69 n LEU 23 CO 0.44 0.52 -0.31 -0.31 -1.33 0.00 0.00 177.39 176.40 1x69 s TYR 24 N -2.32 0.37 0.12 -1.77 1.51 -1.24 -4.46 117.35 109.56 1x69 s TYR 24 Ca -0.13 -0.81 -0.31 0.00 -1.01 0.00 0.00 57.07 54.81 1x69 s TYR 24 Cb 0.05 -0.27 -0.09 0.00 -0.11 0.00 0.00 41.96 41.54 1x69 s TYR 24 CO 0.47 -0.36 1.55 0.16 -1.11 0.00 0.00 175.55 176.26 1x69 s ASP 25 N -2.48 6.65 0.06 2.29 -4.77 -1.26 -4.39 116.67 112.78 1x69 s ASP 25 Ca 0.00 2.49 0.09 0.00 -3.30 0.00 0.00 52.55 51.83 1x69 s ASP 25 Cb 0.02 -2.58 -0.03 0.00 -1.09 0.00 0.00 42.92 39.24 1x69 s ASP 25 CO -0.07 -0.80 -0.24 -0.47 0.70 0.00 0.00 175.17 174.28 1x69 s TYR 26 N 1.67 2.39 -0.35 2.11 6.14 -1.15 -4.98 117.35 123.19 1x69 s TYR 26 Ca 0.70 -0.36 0.01 0.00 0.64 0.00 0.00 57.07 58.06 1x69 s TYR 26 Cb -0.40 -1.39 0.11 0.00 0.42 0.00 0.00 41.96 40.70 1x69 s TYR 26 CO 0.31 0.20 0.12 -0.65 0.64 0.00 0.00 175.55 176.18 1x69 s GLN 27 N -1.46 1.00 -0.45 4.97 -1.52 -1.26 -3.53 119.66 117.41 1x69 s GLN 27 Ca 0.13 -1.45 -0.42 0.00 -1.95 0.00 0.00 55.36 51.67 1x69 s GLN 27 Cb -0.10 -2.31 -0.18 0.00 -0.22 0.00 0.00 33.01 30.20 1x69 s GLN 27 CO 0.04 -1.02 1.44 0.00 -0.25 0.00 0.00 175.29 175.50 1x69 n ALA 28 N 4.43 -1.22 -0.04 6.09 0.00 -1.25 -4.79 120.51 123.73 1x69 n ALA 28 Ca 0.02 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.93 1x69 n ALA 28 Cb 0.40 -1.73 0.36 0.00 0.00 0.00 0.00 19.45 18.49 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 4.50 1.58 -3.00 0.00 0.00 -1.92 -3.45 119.26 116.97 1x69 h ALA 29 Ca -0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x69 h ALA 29 Cb 1.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x69 h ALA 29 CO 0.88 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.89 1x69 n GLY 30 N -1.31 5.25 0.13 0.00 0.00 -1.26 -5.07 105.19 102.93 1x69 n GLY 30 Ca 0.04 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 1x69 n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x69 n ASP 31 N 0.00 1.98 -0.10 1.61 2.03 -1.26 -4.34 116.55 116.47 1x69 n ASP 31 Ca 0.00 0.14 -0.06 0.00 0.52 0.00 0.00 54.79 55.39 1x69 n ASP 31 Cb 0.00 -0.68 0.02 0.00 -0.72 0.00 0.00 41.12 39.74 1x69 n ASP 31 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1x69 h ASP 32 N 0.05 0.08 -4.27 1.67 3.32 -1.97 -3.43 116.42 111.88 1x69 h ASP 32 Ca -0.45 0.05 -0.51 0.00 0.02 0.00 0.00 57.03 56.13 1x69 h ASP 32 Cb 2.01 0.05 0.12 0.00 0.22 0.00 0.00 39.33 41.73 1x69 h ASP 32 CO 0.05 0.08 0.34 -1.61 -1.72 0.00 0.00 179.24 176.38 1x69 s GLU 33 N -6.16 2.40 0.17 3.56 2.02 -1.26 -2.35 118.70 117.08 1x69 s GLU 33 Ca -0.13 1.28 0.09 0.00 0.02 0.00 0.00 54.97 56.23 1x69 s GLU 33 Cb 0.12 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1x69 s GLU 33 CO 0.71 -1.55 -0.12 0.96 0.02 0.00 0.00 175.26 175.28 1x69 s ILE 34 N -2.66 3.06 -0.18 -1.63 -4.36 -0.89 -4.75 121.20 109.79 1x69 s ILE 34 Ca 0.64 -1.67 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1x69 s ILE 34 Cb -0.19 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1x69 s ILE 34 CO 0.50 -0.08 -0.13 -0.44 0.24 0.00 0.00 174.94 175.04 1x69 s SER 35 N -2.70 3.71 0.05 4.36 0.01 -1.26 -3.80 113.70 114.07 1x69 s SER 35 Ca 0.23 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.05 1x69 s SER 35 Cb -0.09 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 1x69 s SER 35 CO 0.14 0.03 -0.15 0.72 0.41 0.00 0.00 173.24 174.38 1x69 s PHE 36 N 1.15 1.35 0.82 2.43 -0.12 -1.23 -4.97 117.98 117.41 1x69 s PHE 36 Ca 0.01 -0.38 -0.11 0.00 -0.05 0.00 0.00 56.93 56.40 1x69 s PHE 36 Cb -0.14 -0.79 0.09 0.00 -0.63 0.00 0.00 43.02 41.55 1x69 s PHE 36 CO -0.05 0.06 1.09 -0.51 -0.05 0.00 0.00 175.22 175.76 1x69 s ASP 37 N -1.31 4.07 0.66 1.98 1.11 -1.26 -2.92 116.67 118.99 1x69 s ASP 37 Ca 0.02 1.69 -0.15 0.00 0.18 0.00 0.00 52.55 54.29 1x69 s ASP 37 Cb -0.09 -2.38 -0.00 0.00 1.07 0.00 0.00 42.92 41.52 1x69 s ASP 37 CO 0.02 -2.29 1.11 -2.16 1.18 0.00 0.00 175.17 173.03 1x69 s PRO 38 N -4.91 2.81 -0.96 8.23 0.04 -1.26 -3.26 135.00 135.68 1x69 s PRO 38 Ca 0.62 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 1x69 s PRO 38 Cb -0.18 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1x69 s PRO 38 CO 0.56 -1.25 0.07 -0.40 0.04 0.00 0.00 177.00 176.03 1x69 n ASP 39 N -2.41 -3.54 -4.75 6.66 5.75 -0.27 -4.91 116.55 113.08 1x69 n ASP 39 Ca 0.10 0.15 -0.23 0.00 -0.01 0.00 0.00 54.79 54.81 1x69 n ASP 39 Cb 0.52 -3.01 0.09 0.00 -1.03 0.00 0.00 41.12 37.69 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1x69 s ASP 40 N -2.12 4.55 -0.10 -1.12 1.11 -1.20 -4.76 116.67 113.02 1x69 s ASP 40 Ca 0.05 -0.30 0.04 0.00 0.18 0.00 0.00 52.55 52.52 1x69 s ASP 40 Cb -0.03 -0.18 -0.00 0.00 1.07 0.00 0.00 42.92 43.78 1x69 s ASP 40 CO 0.07 -1.71 -0.22 -0.63 1.18 0.00 0.00 175.17 173.86 1x69 s ILE 41 N -3.06 2.23 0.11 0.77 -1.09 -1.26 -1.80 121.20 117.11 1x69 s ILE 41 Ca 0.64 -0.96 0.11 0.00 -2.23 0.00 0.00 60.65 58.21 1x69 s ILE 41 Cb -0.06 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1x69 s ILE 41 CO 0.43 0.56 -0.27 -0.63 -1.23 0.00 0.00 174.94 173.80 1x69 s ILE 42 N 0.27 2.25 0.21 2.92 1.09 -0.46 -4.85 121.20 122.63 1x69 s ILE 42 Ca -0.16 -1.67 0.02 0.00 -1.10 0.00 0.00 60.65 57.75 1x69 s ILE 42 Cb -0.17 -1.97 -0.05 0.00 -1.06 0.00 0.00 42.46 39.21 1x69 s ILE 42 CO 0.08 0.15 0.02 0.42 -0.10 0.00 0.00 174.94 175.51 1x69 s THR 43 N -1.00 0.77 -1.30 2.92 -4.23 -1.24 -2.39 115.64 109.17 1x69 s THR 43 Ca 0.14 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1x69 s THR 43 Cb -0.10 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1x69 s THR 43 CO 0.05 -0.33 1.05 0.59 -0.54 0.00 0.00 174.62 175.44 1x69 n ASN 44 N -0.34 -6.11 -4.77 3.99 5.03 0.20 -1.17 115.26 112.09 1x69 n ASN 44 Ca -0.05 -0.48 -0.40 0.00 0.87 0.00 0.00 54.58 54.52 1x69 n ASN 44 Cb 0.64 -4.75 -0.03 0.00 -1.02 0.00 0.00 39.78 34.62 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 -3.28 3.01 -0.09 2.41 1.01 -0.88 -3.92 121.20 119.46 1x69 s ILE 45 Ca 0.52 0.99 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1x69 s ILE 45 Cb -0.23 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1x69 s ILE 45 CO 0.65 0.21 -0.18 -1.61 0.00 0.00 0.00 174.94 174.01 1x69 s GLU 46 N -1.78 2.39 -0.62 2.79 0.41 0.65 -4.46 118.70 118.08 1x69 s GLU 46 Ca 0.49 -0.65 -0.22 0.00 -0.41 0.00 0.00 54.97 54.18 1x69 s GLU 46 Cb -0.36 -1.88 0.07 0.00 -1.78 0.00 0.00 34.13 30.18 1x69 s GLU 46 CO 0.47 0.08 0.91 -1.64 -0.49 0.00 0.00 175.26 174.59 1x69 s MET 47 N 0.57 3.14 -0.10 1.61 -1.94 -1.26 -0.42 119.30 120.88 1x69 s MET 47 Ca -0.15 -0.80 -0.12 0.00 -1.71 0.00 0.00 55.69 52.90 1x69 s MET 47 Cb -0.17 -4.20 -0.04 0.00 2.01 0.00 0.00 34.83 32.44 1x69 s MET 47 CO 0.05 -1.69 -0.23 -0.89 -0.01 0.00 0.00 175.02 172.24 1x69 n ILE 48 N 5.90 1.24 -2.76 2.53 5.41 -1.23 -5.03 119.36 125.42 1x69 n ILE 48 Ca -0.04 0.23 -0.11 0.00 1.00 0.00 0.00 62.75 63.83 1x69 n ILE 48 Cb 0.45 -2.07 0.05 0.00 -0.71 0.00 0.00 39.64 37.36 1x69 n ILE 48 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1x69 n ASP 49 N -4.00 0.92 0.10 4.38 2.03 -0.52 -5.01 116.55 114.45 1x69 n ASP 49 Ca -0.09 -1.71 0.12 0.00 0.52 0.00 0.00 54.79 53.63 1x69 n ASP 49 Cb 0.35 -0.27 0.22 0.00 -0.72 0.00 0.00 41.12 40.69 1x69 n ASP 49 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1x69 h ASP 50 N -0.11 0.00 0.00 1.67 3.04 -2.02 -3.37 116.42 115.63 1x69 h ASP 50 Ca -0.15 -0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1x69 h ASP 50 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 1x69 h ASP 50 CO 0.19 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 178.05 1x69 n GLY 51 N 1.27 -0.82 2.98 7.15 0.00 -1.26 -4.99 105.19 109.52 1x69 n GLY 51 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 1.25 0.23 1.61 0.52 -1.26 -0.15 118.94 121.14 1x69 s TRP 52 Ca 0.00 -0.45 0.07 0.00 0.02 0.00 0.00 56.10 55.74 1x69 s TRP 52 Cb 0.00 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.31 1x69 s TRP 52 CO 0.00 -0.26 -0.10 -1.58 0.02 0.00 0.00 176.95 175.03 1x69 s TRP 53 N 0.78 1.76 -0.17 -1.98 0.51 0.87 -1.44 118.94 119.27 1x69 s TRP 53 Ca -0.13 -0.66 0.01 0.00 -2.12 0.00 0.00 56.10 53.20 1x69 s TRP 53 Cb -0.15 -0.91 0.01 0.00 -0.81 0.00 0.00 33.47 31.61 1x69 s TRP 53 CO 0.02 0.28 -0.19 1.03 -0.51 0.00 0.00 176.95 177.58 1x69 s ARG 54 N -3.70 3.06 0.14 4.98 0.52 0.43 -0.97 118.95 123.41 1x69 s ARG 54 Ca 0.25 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 1x69 s ARG 54 Cb 0.02 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1x69 s ARG 54 CO 0.09 -0.13 0.12 0.20 0.02 0.00 0.00 175.30 175.60 1x69 s GLY 55 N 1.12 0.83 -0.52 -3.53 0.00 -1.23 0.24 107.32 104.23 1x69 s GLY 55 Ca 0.00 -1.30 -0.20 0.00 0.00 0.00 0.00 44.72 43.23 1x69 s GLY 55 CO -0.08 -1.21 0.70 0.14 0.00 0.00 0.00 173.10 172.66 1x69 s VAL 56 N -4.02 4.76 -0.13 1.40 1.01 -0.32 -3.55 120.40 119.54 1x69 s VAL 56 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1x69 s VAL 56 Cb 0.06 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1x69 s VAL 56 CO 0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 175.10 174.06 1x69 n LYS 58 N 3.73 -2.65 -2.32 0.00 5.02 -1.26 0.07 118.16 120.74 1x69 n LYS 58 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1x69 n LYS 58 Cb 0.52 -4.86 0.00 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 -0.74 0.94 3.05 0.72 0.00 -1.26 -5.07 105.19 102.83 1x69 n GLY 59 Ca -0.05 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.64 0.19 -0.31 1.61 0.52 0.11 -5.13 118.95 111.29 1x69 s ARG 60 Ca 0.00 0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 55.87 1x69 s ARG 60 Cb 0.00 -0.05 0.05 0.00 0.52 0.00 0.00 34.95 35.47 1x69 s ARG 60 CO 0.00 -0.23 0.03 -0.47 0.02 0.00 0.00 175.30 174.64 1x69 s TYR 61 N 1.97 3.26 0.22 -0.53 5.04 -1.25 -0.18 117.35 125.87 1x69 s TYR 61 Ca -0.03 -1.74 -0.05 0.00 -2.44 0.00 0.00 57.07 52.80 1x69 s TYR 61 Cb -0.11 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1x69 s TYR 61 CO -0.09 -0.78 0.38 0.41 -1.34 0.00 0.00 175.55 174.13 1x69 n GLY 62 N 4.68 1.92 3.77 8.97 0.00 -1.23 -4.95 105.19 118.35 1x69 n GLY 62 Ca -0.13 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 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 4.34 -0.18 0.99 1.43 -0.99 -3.48 118.68 120.80 1x69 s LEU 63 Ca 0.13 1.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.95 1x69 s LEU 63 Cb -0.02 -3.97 0.06 0.00 0.03 0.00 0.00 46.19 42.29 1x69 s LEU 63 CO 0.09 -0.17 0.63 0.72 0.23 0.00 0.00 176.35 177.85 1x69 s PHE 64 N -1.52 -0.66 0.07 0.29 -0.12 -0.14 -2.09 117.98 113.81 1x69 s PHE 64 Ca 0.51 1.48 -0.31 0.00 -0.05 0.00 0.00 56.93 58.56 1x69 s PHE 64 Cb -0.22 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.37 1x69 s PHE 64 CO 0.28 -0.41 1.40 -1.25 -0.05 0.00 0.00 175.22 175.19 1x69 s PRO 65 N -0.14 4.31 0.00 1.99 0.04 -1.26 -0.09 135.00 139.84 1x69 s PRO 65 Ca -0.04 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.21 1x69 s PRO 65 Cb -0.03 -3.39 0.93 0.00 0.04 0.00 0.00 34.50 32.04 1x69 s PRO 65 CO 0.03 -0.49 1.54 0.00 0.04 0.00 0.00 177.00 178.12 1x69 n ALA 66 N 4.55 1.99 0.09 8.56 0.00 0.79 -2.73 120.51 133.75 1x69 n ALA 66 Ca 0.12 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 1x69 n ALA 66 Cb 0.43 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 0.63 -0.02 0.00 2.35 -1.91 -3.13 115.58 113.49 1x69 h ASN 67 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1x69 h ASN 67 Cb 0.15 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1x69 h ASN 67 CO 0.00 1.40 0.00 -1.22 -1.65 0.00 0.00 177.43 175.96 1x69 n TYR 68 N -3.70 0.04 -4.07 1.19 4.02 -1.11 -4.82 117.16 108.71 1x69 n TYR 68 Ca -0.10 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.90 57.67 1x69 n TYR 68 Cb 0.94 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 40.17 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 -1.89 0.04 -0.04 -0.72 -7.23 -1.18 -0.97 120.40 108.40 1x69 s VAL 69 Ca 0.02 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1x69 s VAL 69 Cb 0.01 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.83 1x69 s VAL 69 CO 0.01 -0.18 0.01 -0.70 -0.31 0.00 0.00 175.10 173.93 1x69 s GLU 70 N -4.05 0.36 0.12 4.82 2.12 0.11 -4.86 118.70 117.33 1x69 s GLU 70 Ca 0.26 0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.39 1x69 s GLU 70 Cb 0.04 -0.64 -0.09 0.00 0.26 0.00 0.00 34.13 33.71 1x69 s GLU 70 CO 0.06 -0.20 1.51 -0.51 -0.54 0.00 0.00 175.26 175.58 1x69 s LEU 71 N 1.43 4.36 0.36 2.70 1.43 -1.26 -0.20 118.68 127.50 1x69 s LEU 71 Ca -0.04 2.45 -0.22 0.00 -1.03 0.00 0.00 54.13 55.29 1x69 s LEU 71 Cb -0.13 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 1x69 s LEU 71 CO -0.03 -0.77 0.91 -0.13 0.23 0.00 0.00 176.35 176.56 1x69 s ARG 72 N 1.51 4.34 0.81 1.70 0.52 -0.91 -4.91 118.95 122.02 1x69 s ARG 72 Ca 0.68 1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 56.89 1x69 s ARG 72 Cb -0.40 -2.50 0.08 0.00 0.52 0.00 0.00 34.95 32.65 1x69 s ARG 72 CO 0.31 0.14 1.16 0.00 0.02 0.00 0.00 175.30 176.93 1x69 n GLN 73 N -0.04 0.16 -4.06 3.54 -0.00 -1.26 -4.85 117.38 110.87 1x69 n GLN 73 Ca 0.04 0.13 -0.10 0.00 -0.00 0.00 0.00 57.00 57.07 1x69 n GLN 73 Cb 0.52 -2.40 -0.11 0.00 -0.00 0.00 0.00 30.24 28.25 1x69 n GLN 73 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1x69 s SER 74 N -2.10 0.63 -0.48 2.61 1.04 -1.26 -5.05 113.70 109.09 1x69 s SER 74 Ca 0.73 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 56.53 1x69 s SER 74 Cb -0.29 0.10 0.19 0.00 0.10 0.00 0.00 66.02 66.11 1x69 s SER 74 CO 0.52 -0.35 0.72 -0.83 0.98 0.00 0.00 173.24 174.27 1x69 s GLY 75 N -2.03 -1.29 0.12 7.32 0.00 -1.26 -5.02 107.32 105.17 1x69 s GLY 75 Ca -0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 44.72 44.39 1x69 s GLY 75 CO -0.03 3.70 1.45 -0.56 0.00 0.00 0.00 173.10 177.66 1x69 h PRO 76 N 5.62 0.83 -6.38 2.90 0.13 -2.06 -3.43 132.00 129.60 1x69 h PRO 76 Ca 0.05 -0.44 -0.54 0.00 -0.87 0.00 0.00 66.00 64.21 1x69 h PRO 76 Cb 1.14 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.31 1x69 h PRO 76 CO 0.03 1.07 1.20 0.45 -0.23 0.00 0.00 178.00 180.53 1x69 n SER 77 N -4.16 4.09 -0.00 1.44 2.88 -1.26 -4.86 113.62 111.75 1x69 n SER 77 Ca -0.03 0.92 -0.04 0.00 -1.33 0.00 0.00 58.87 58.40 1x69 n SER 77 Cb 0.51 -1.52 -0.01 0.00 -0.75 0.00 0.00 64.21 62.44 1x69 n SER 77 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x69 n SER 78 N 7.07 1.33 0.00 -3.46 2.88 -1.26 -5.26 113.62 114.92 1x69 n SER 78 Ca 0.20 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1x69 n SER 78 Cb 0.39 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42