#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsk h SER 2 N 0.00 0.00 0.00 1.61 4.64 -1.63 -3.39 113.55 114.78 2qsk h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qsk h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qsk h SER 2 CO 0.00 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 2qsk n GLY 3 N 0.51 -1.48 0.23 -0.77 0.00 -1.20 -4.83 105.19 97.65 2qsk n GLY 3 Ca -0.00 -1.05 0.16 0.00 0.00 0.00 0.00 46.02 45.12 2qsk n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qsk h PRO 4 N 0.00 0.00 -0.01 1.61 0.13 -1.81 -1.41 132.00 130.51 2qsk h PRO 4 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qsk h PRO 4 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qsk h PRO 4 CO 0.00 0.00 -0.05 0.25 -0.23 0.00 0.00 178.00 177.97 2qsk n THR 5 N -2.70 0.00 -2.95 1.56 -2.24 -1.26 -4.55 114.28 102.14 2qsk n THR 5 Ca -0.00 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2qsk n THR 5 Cb 0.18 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 2qsk n THR 5 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2qsk s TYR 6 N -2.19 3.49 -0.14 4.78 5.04 -0.54 -1.87 117.35 125.92 2qsk s TYR 6 Ca 0.37 1.25 0.01 0.00 -2.44 0.00 0.00 57.07 56.26 2qsk s TYR 6 Cb 0.21 -2.93 -0.00 0.00 0.35 0.00 0.00 41.96 39.59 2qsk s TYR 6 CO 0.40 -0.10 -0.16 0.00 -1.34 0.00 0.00 175.55 174.35 2qsk s TRP 8 N 0.63 -0.46 -0.59 0.00 -0.11 -1.26 -4.93 118.94 112.22 2qsk s TRP 8 Ca -0.09 1.05 -0.22 0.00 1.22 0.00 0.00 56.10 58.07 2qsk s TRP 8 Cb -0.16 0.17 0.07 0.00 -1.50 0.00 0.00 33.47 32.05 2qsk s TRP 8 CO 0.03 -0.25 0.85 1.21 -4.62 0.00 0.00 176.95 174.16 2qsk s ASN 9 N 0.83 6.22 0.18 5.86 3.84 -1.26 -4.24 114.94 126.37 2qsk s ASN 9 Ca -0.05 -0.91 0.21 0.00 0.21 0.00 0.00 52.86 52.33 2qsk s ASN 9 Cb -0.06 -2.38 0.88 0.00 -0.55 0.00 0.00 41.25 39.14 2qsk s ASN 9 CO -0.06 -1.23 1.65 -0.62 -2.79 0.00 0.00 177.10 174.06 2qsk n GLU 10 N 7.11 0.14 0.16 0.43 1.02 -1.26 -3.53 120.64 124.71 2qsk n GLU 10 Ca -0.04 0.35 0.06 0.00 -0.02 0.00 0.00 57.16 57.51 2qsk n GLU 10 Cb 0.45 -1.76 0.52 0.00 -0.02 0.00 0.00 31.44 30.64 2qsk n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qsk h ALA 11 N 2.36 1.80 -0.64 0.62 0.00 -1.91 -1.49 119.26 120.00 2qsk h ALA 11 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qsk h ALA 11 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qsk h ALA 11 CO 0.00 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2qsk n ASN 12 N -4.45 5.07 -4.76 0.00 3.02 -1.23 -3.83 115.26 109.08 2qsk n ASN 12 Ca -0.01 -2.58 -0.34 0.00 -0.03 0.00 0.00 54.58 51.62 2qsk n ASN 12 Cb 0.13 -0.62 0.05 0.00 -0.61 0.00 0.00 39.78 38.73 2qsk n ASN 12 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qsk s ASN 13 N -0.86 5.06 0.27 6.41 0.01 -1.04 -4.93 114.94 119.87 2qsk s ASN 13 Ca 0.53 2.14 -0.30 0.00 -0.71 0.00 0.00 52.86 54.51 2qsk s ASN 13 Cb 0.36 -2.57 -0.12 0.00 0.41 0.00 0.00 41.25 39.33 2qsk s ASN 13 CO 0.23 -1.67 1.61 -2.65 -1.51 0.00 0.00 177.10 173.11 2qsk n PRO 14 N -2.16 2.67 0.00 -0.60 -0.02 -1.26 -1.75 135.00 131.87 2qsk n PRO 14 Ca 0.12 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2qsk n PRO 14 Cb 0.51 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2qsk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qsk n GLY 15 N 2.47 1.91 0.00 -1.23 0.00 -1.26 -4.54 105.19 102.54 2qsk n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2qsk n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qsk n GLY 16 N -2.00 2.89 3.68 -0.02 0.00 -0.72 -4.91 105.19 104.10 2qsk n GLY 16 Ca 0.00 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 2qsk n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qsk n PRO 17 N -1.49 2.08 -1.06 1.61 -0.02 -1.25 -1.98 135.00 132.89 2qsk n PRO 17 Ca 0.00 0.74 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 2qsk n PRO 17 Cb 0.00 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.07 2qsk n PRO 17 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qsk n ASN 18 N 2.13 -4.56 -4.90 2.55 4.13 -0.59 -4.99 115.26 109.04 2qsk n ASN 18 Ca 0.11 0.05 -0.30 0.00 1.68 0.00 0.00 54.58 56.12 2qsk n ASN 18 Cb 0.32 -2.23 -0.04 0.00 -1.54 0.00 0.00 39.78 36.29 2qsk n ASN 18 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2qsk s ARG 19 N -1.40 3.68 0.11 3.52 1.81 -0.84 -0.94 118.95 124.89 2qsk s ARG 19 Ca 0.00 0.09 -0.24 0.00 -1.72 0.00 0.00 55.73 53.86 2qsk s ARG 19 Cb 0.00 -2.65 0.07 0.00 -0.45 0.00 0.00 34.95 31.91 2qsk s ARG 19 CO 0.00 0.25 0.59 0.00 -0.68 0.00 0.00 175.30 175.46 2qsk n SER 21 N -0.05 2.63 -3.98 0.00 7.64 -1.26 -4.45 113.62 114.16 2qsk n SER 21 Ca -0.17 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.62 2qsk n SER 21 Cb 0.63 1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 65.10 2qsk n SER 21 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qsk s ASN 22 N -3.33 0.27 0.56 6.43 0.01 -1.26 -5.02 114.94 112.60 2qsk s ASN 22 Ca -0.04 -0.67 0.27 0.00 -0.71 0.00 0.00 52.86 51.70 2qsk s ASN 22 Cb 0.06 0.21 1.64 0.00 0.41 0.00 0.00 41.25 43.57 2qsk s ASN 22 CO 0.43 -0.52 2.19 0.78 -1.51 0.00 0.00 177.10 178.47 2qsk h ASN 23 N 3.60 0.00 0.55 -1.22 2.35 -1.92 -2.00 115.58 116.93 2qsk h ASN 23 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2qsk h ASN 23 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2qsk h ASN 23 CO 0.54 0.04 0.00 2.29 -1.65 0.00 0.00 177.43 178.64 2qsk n LYS 24 N -3.92 0.02 -0.26 0.81 2.85 -1.26 -1.68 118.16 114.72 2qsk n LYS 24 Ca -0.03 0.21 0.08 0.00 -1.05 0.00 0.00 58.31 57.52 2qsk n LYS 24 Cb 0.12 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.22 2qsk n LYS 24 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2qsk n GLN 25 N -1.48 2.17 -5.11 -1.58 6.02 -0.75 -4.82 117.38 111.82 2qsk n GLN 25 Ca 0.04 -1.74 -0.32 0.00 -0.01 0.00 0.00 57.00 54.97 2qsk n GLN 25 Cb 0.19 -1.40 -0.15 0.00 1.02 0.00 0.00 30.24 29.90 2qsk n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qsk s ASP 27 N -0.21 6.53 1.55 0.00 2.15 -1.26 -0.37 116.67 125.05 2qsk s ASP 27 Ca -0.01 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.33 2qsk s ASP 27 Cb -0.13 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 2qsk s ASP 27 CO 0.03 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 2qsk n GLY 28 N 0.64 3.33 0.21 2.66 0.00 0.05 -1.36 105.19 110.71 2qsk n GLY 28 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2qsk n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsk n ALA 29 N 10.71 2.55 -1.56 4.61 0.00 -0.17 -0.02 120.51 136.64 2qsk n ALA 29 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 2qsk n ALA 29 Cb 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.32 2qsk n ALA 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qsk s ARG 30 N -1.90 2.97 0.19 0.00 0.52 -0.47 -4.65 118.95 115.61 2qsk s ARG 30 Ca 0.24 1.32 0.02 0.00 -0.52 0.00 0.00 55.73 56.80 2qsk s ARG 30 Cb 0.12 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.57 2qsk s ARG 30 CO 0.19 -1.11 0.01 0.95 0.02 0.00 0.00 175.30 175.36 2qsk s THR 31 N -2.39 0.73 -0.15 0.02 -4.23 -0.44 -0.15 115.64 109.03 2qsk s THR 31 Ca 0.66 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.91 2qsk s THR 31 Cb -0.19 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2qsk s THR 31 CO 0.40 -0.43 0.87 0.00 -0.54 0.00 0.00 174.62 174.92 2qsk s SER 33 N 1.12 5.07 0.59 0.00 1.04 0.16 -4.95 113.70 116.73 2qsk s SER 33 Ca 0.41 0.97 0.34 0.00 0.48 0.00 0.00 55.95 58.15 2qsk s SER 33 Cb -0.17 -1.65 1.86 0.00 0.10 0.00 0.00 66.02 66.16 2qsk s SER 33 CO 0.14 -1.56 2.21 0.77 0.98 0.00 0.00 173.24 175.78 2qsk h SER 34 N -0.80 0.00 -0.60 7.02 4.64 -1.97 -1.31 113.55 120.54 2qsk h SER 34 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2qsk h SER 34 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qsk h SER 34 CO 0.65 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 2qsk n SER 35 N -3.47 3.22 -0.29 4.97 3.41 -1.26 -4.94 113.62 115.26 2qsk n SER 35 Ca -0.02 -2.01 -0.02 0.00 -0.26 0.00 0.00 58.87 56.56 2qsk n SER 35 Cb 0.15 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2qsk n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qsk n GLY 36 N 1.44 0.34 3.35 5.00 0.00 -0.49 -4.99 105.19 109.84 2qsk n GLY 36 Ca 0.20 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2qsk n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qsk s PHE 37 N -2.19 2.31 0.43 1.61 0.08 -1.26 -1.27 117.98 117.69 2qsk s PHE 37 Ca 0.01 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 56.40 2qsk s PHE 37 Cb -0.00 -1.35 -0.08 0.00 -0.57 0.00 0.00 43.02 41.02 2qsk s PHE 37 CO 0.01 0.17 1.27 0.00 -0.10 0.00 0.00 175.22 176.57 2qsk s GLN 39 N -2.41 0.62 0.00 0.00 -2.07 0.26 -4.87 119.66 111.19 2qsk s GLN 39 Ca 0.60 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 2qsk s GLN 39 Cb -0.36 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 2qsk s GLN 39 CO 0.45 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 2qsk n GLY 40 N 0.78 -1.26 3.43 2.60 0.00 -1.26 -1.33 105.19 108.15 2qsk n GLY 40 Ca -0.19 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 2qsk n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qsk s THR 41 N 0.00 3.67 0.08 2.61 2.01 -1.26 -4.86 115.64 117.89 2qsk s THR 41 Ca 0.00 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 2qsk s THR 41 Cb 0.00 -2.62 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 2qsk s THR 41 CO 0.00 0.47 1.60 0.77 -0.69 0.00 0.00 174.62 176.77 2qsk h SER 42 N 7.15 0.24 -4.59 3.53 4.64 -1.90 -3.35 113.55 119.27 2qsk h SER 42 Ca -0.33 -0.19 0.21 0.00 -0.47 0.00 0.00 61.79 61.01 2qsk h SER 42 Cb 1.19 -0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 63.05 2qsk h SER 42 CO 0.61 0.37 0.68 0.00 -0.87 0.00 0.00 176.83 177.61 2qsk s ARG 43 N -5.45 0.55 -0.05 4.77 1.70 -1.26 -0.99 118.95 118.22 2qsk s ARG 43 Ca -0.14 -0.22 -0.02 0.00 -0.47 0.00 0.00 55.73 54.88 2qsk s ARG 43 Cb 0.07 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.72 2qsk s ARG 43 CO 0.71 -0.24 0.04 0.15 -1.08 0.00 0.00 175.30 174.88 2qsk s LYS 44 N -2.72 0.08 0.69 3.89 1.02 -1.26 -3.78 119.74 117.66 2qsk s LYS 44 Ca 0.08 0.31 -0.12 0.00 0.02 0.00 0.00 55.97 56.26 2qsk s LYS 44 Cb -0.00 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.72 2qsk s LYS 44 CO -0.06 -0.31 1.07 -1.25 -0.92 0.00 0.00 175.35 173.88 2qsk s PRO 45 N 2.04 2.83 -0.12 -1.68 0.04 -1.26 -5.06 135.00 131.80 2qsk s PRO 45 Ca 0.04 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2qsk s PRO 45 Cb -0.12 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2qsk s PRO 45 CO -0.03 -1.19 -0.10 0.34 0.04 0.00 0.00 177.00 176.05 2qsk s ASP 46 N -3.45 2.29 0.79 6.66 2.15 -1.25 -2.96 116.67 120.91 2qsk s ASP 46 Ca 0.60 -0.36 -0.12 0.00 0.43 0.00 0.00 52.55 53.10 2qsk s ASP 46 Cb -0.15 -0.95 0.07 0.00 -0.30 0.00 0.00 42.92 41.59 2qsk s ASP 46 CO 0.51 -0.08 1.14 -2.16 -0.17 0.00 0.00 175.17 174.41 2qsk s PRO 47 N 1.48 1.91 0.87 4.34 0.04 -1.26 -5.12 135.00 137.25 2qsk s PRO 47 Ca 0.02 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2qsk s PRO 47 Cb -0.13 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2qsk s PRO 47 CO -0.07 -1.95 1.15 0.20 0.04 0.00 0.00 177.00 176.37 2qsk s GLY 48 N -2.77 1.58 0.89 0.56 0.00 -1.15 -5.04 107.32 101.39 2qsk s GLY 48 Ca 0.66 -0.53 -0.11 0.00 0.00 0.00 0.00 44.72 44.74 2qsk s GLY 48 CO 0.52 -0.01 1.09 2.56 0.00 0.00 0.00 173.10 177.26 2qsk s PRO 49 N -5.36 1.29 0.26 2.90 0.04 -1.26 -4.61 135.00 128.25 2qsk s PRO 49 Ca 0.63 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2qsk s PRO 49 Cb -0.13 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 2qsk s PRO 49 CO 0.52 -2.25 1.17 1.63 0.04 0.00 0.00 177.00 178.11 2qsk n LYS 50 N -3.90 1.55 0.00 4.56 4.76 -1.26 -3.81 118.16 120.06 2qsk n LYS 50 Ca 0.07 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 2qsk n LYS 50 Cb 0.55 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 2qsk n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qsk n GLY 51 N 1.55 0.79 0.13 0.72 0.00 -1.12 -4.92 105.19 102.34 2qsk n GLY 51 Ca 0.11 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.20 2qsk n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qsk n PRO 52 N -0.10 0.12 -0.10 1.61 -0.02 -1.26 -1.40 135.00 133.86 2qsk n PRO 52 Ca 0.00 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 2qsk n PRO 52 Cb 0.00 -1.86 0.21 0.00 -0.02 0.00 0.00 33.50 31.83 2qsk n PRO 52 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qsk n THR 53 N -2.12 0.27 -2.93 3.45 -2.24 -1.26 -4.41 114.28 105.04 2qsk n THR 53 Ca -0.00 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 2qsk n THR 53 Cb 0.07 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 2qsk n THR 53 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2qsk s TYR 54 N -1.73 3.29 -0.22 4.78 5.04 -0.49 -3.75 117.35 124.26 2qsk s TYR 54 Ca 0.34 1.05 -0.07 0.00 -2.44 0.00 0.00 57.07 55.96 2qsk s TYR 54 Cb 0.21 -3.04 -0.03 0.00 0.35 0.00 0.00 41.96 39.45 2qsk s TYR 54 CO 0.31 -0.41 0.05 0.00 -1.34 0.00 0.00 175.55 174.15 2qsk s TRP 56 N 1.18 -0.46 -0.67 0.00 -0.11 -1.26 -4.93 118.94 112.68 2qsk s TRP 56 Ca 0.04 1.02 -0.21 0.00 1.22 0.00 0.00 56.10 58.17 2qsk s TRP 56 Cb -0.14 0.15 0.09 0.00 -1.50 0.00 0.00 33.47 32.07 2qsk s TRP 56 CO 0.03 -0.28 0.91 0.34 -4.62 0.00 0.00 176.95 173.33 2qsk s ASP 57 N 1.26 6.23 0.42 5.86 -1.08 -1.26 -4.25 116.67 123.85 2qsk s ASP 57 Ca -0.09 -1.24 0.29 0.00 -0.52 0.00 0.00 52.55 50.99 2qsk s ASP 57 Cb -0.09 -2.38 1.26 0.00 -1.46 0.00 0.00 42.92 40.25 2qsk s ASP 57 CO -0.10 -1.31 1.87 -0.33 0.52 0.00 0.00 175.17 175.83 2qsk h GLU 58 N 9.37 0.00 0.00 4.34 5.08 -1.98 -2.97 114.58 128.43 2qsk h GLU 58 Ca -0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2qsk h GLU 58 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qsk h GLU 58 CO 1.15 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 179.08 2qsk h ALA 59 N 2.12 1.36 -0.52 3.43 0.00 -1.91 -1.42 119.26 122.33 2qsk h ALA 59 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qsk h ALA 59 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qsk h ALA 59 CO 0.00 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.98 2qsk n LYS 60 N -3.71 2.35 -1.97 0.00 5.02 -1.12 -4.10 118.16 114.64 2qsk n LYS 60 Ca -0.02 -2.09 -0.38 0.00 -2.02 0.00 0.00 58.31 53.80 2qsk n LYS 60 Cb 0.19 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2qsk n LYS 60 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2qsk s ASN 61 N -1.16 5.67 0.48 4.39 0.01 -0.96 -4.88 114.94 118.49 2qsk s ASN 61 Ca 0.39 2.60 0.26 0.00 -0.71 0.00 0.00 52.86 55.40 2qsk s ASN 61 Cb 0.21 -2.63 1.16 0.00 0.41 0.00 0.00 41.25 40.41 2qsk s ASN 61 CO 0.28 -1.28 1.94 1.55 -1.51 0.00 0.00 177.10 178.08 2qsk h PRO 62 N 1.78 0.00 -0.01 -0.60 0.13 -1.92 -0.36 132.00 131.02 2qsk h PRO 62 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2qsk h PRO 62 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2qsk h PRO 62 CO 0.59 0.18 -0.06 0.41 -0.23 0.00 0.00 178.00 178.89 2qsk n GLY 63 N -0.21 -0.76 0.00 1.56 0.00 -1.26 -5.04 105.19 99.48 2qsk n GLY 63 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2qsk n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qsk n GLY 64 N 1.18 2.79 3.67 -0.02 0.00 -0.15 -4.81 105.19 107.86 2qsk n GLY 64 Ca 0.18 -2.08 -0.46 0.00 0.00 0.00 0.00 46.02 43.66 2qsk n GLY 64 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qsk n PRO 65 N -0.90 2.16 -1.23 1.61 -0.02 -1.26 -1.66 135.00 133.71 2qsk n PRO 65 Ca 0.00 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.18 2qsk n PRO 65 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 30.88 2qsk n PRO 65 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qsk n ASN 66 N 3.92 -4.79 -4.91 2.55 4.13 -0.58 -4.97 115.26 110.60 2qsk n ASN 66 Ca 0.18 0.20 -0.32 0.00 1.68 0.00 0.00 54.58 56.32 2qsk n ASN 66 Cb 0.29 -2.99 -0.04 0.00 -1.54 0.00 0.00 39.78 35.49 2qsk n ASN 66 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2qsk s ARG 67 N -2.38 3.45 0.06 3.52 1.81 -0.66 -1.54 118.95 123.21 2qsk s ARG 67 Ca 0.00 -0.38 -0.20 0.00 -1.72 0.00 0.00 55.73 53.43 2qsk s ARG 67 Cb 0.00 -3.05 0.04 0.00 -0.45 0.00 0.00 34.95 31.50 2qsk s ARG 67 CO 0.00 0.62 0.46 0.00 -0.68 0.00 0.00 175.30 175.70 2qsk n SER 69 N 0.33 1.97 -3.82 0.00 7.64 -1.26 -4.44 113.62 114.03 2qsk n SER 69 Ca -0.18 -0.23 -0.09 0.00 1.01 0.00 0.00 58.87 59.38 2qsk n SER 69 Cb 0.61 1.33 -0.06 0.00 -1.01 0.00 0.00 64.21 65.07 2qsk n SER 69 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qsk s ASN 70 N -2.80 0.02 0.22 6.43 2.20 -1.26 -5.05 114.94 114.70 2qsk s ASN 70 Ca -0.01 -0.61 0.24 0.00 -0.94 0.00 0.00 52.86 51.53 2qsk s ASN 70 Cb 0.07 0.39 0.92 0.00 -2.00 0.00 0.00 41.25 40.63 2qsk s ASN 70 CO 0.42 -0.80 1.73 -1.20 -2.94 0.00 0.00 177.10 174.32 2qsk n SER 71 N -0.13 0.67 0.00 3.54 7.64 -1.26 -2.06 113.62 122.01 2qsk n SER 71 Ca -0.14 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.48 2qsk n SER 71 Cb 0.63 -0.78 0.55 0.00 -1.01 0.00 0.00 64.21 63.60 2qsk n SER 71 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qsk n LYS 72 N -2.19 0.30 -0.34 1.43 5.02 -1.26 -1.94 118.16 119.18 2qsk n LYS 72 Ca 0.03 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 2qsk n LYS 72 Cb 0.30 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.05 2qsk n LYS 72 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qsk n GLN 73 N -1.30 2.52 -5.22 1.97 6.02 -0.88 -4.90 117.38 115.60 2qsk n GLN 73 Ca 0.10 -1.96 -0.31 0.00 -0.01 0.00 0.00 57.00 54.81 2qsk n GLN 73 Cb 0.18 -1.53 -0.16 0.00 1.02 0.00 0.00 30.24 29.75 2qsk n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qsk s ASP 75 N -0.48 6.68 1.73 0.00 2.15 -1.26 -4.68 116.67 120.81 2qsk s ASP 75 Ca 0.06 2.43 0.00 0.00 0.43 0.00 0.00 52.55 55.47 2qsk s ASP 75 Cb -0.11 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2qsk s ASP 75 CO 0.01 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 2qsk n GLY 76 N 0.76 3.46 0.14 2.66 0.00 0.14 -1.11 105.19 111.24 2qsk n GLY 76 Ca 0.02 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.09 2qsk n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsk n ALA 77 N 11.28 2.66 -1.40 4.61 0.00 -0.24 -2.81 120.51 134.60 2qsk n ALA 77 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 2qsk n ALA 77 Cb 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.12 2qsk n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qsk s ARG 78 N -2.07 2.35 0.26 0.00 0.52 -0.27 -4.86 118.95 114.89 2qsk s ARG 78 Ca 0.43 1.64 0.02 0.00 -0.52 0.00 0.00 55.73 57.30 2qsk s ARG 78 Cb 0.21 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.76 2qsk s ARG 78 CO 0.37 -1.65 0.07 0.95 0.02 0.00 0.00 175.30 175.06 2qsk s THR 79 N -2.10 0.78 -0.31 0.02 -4.23 -0.68 -4.69 115.64 104.44 2qsk s THR 79 Ca 0.72 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.99 2qsk s THR 79 Cb -0.26 -2.60 -0.00 0.00 1.34 0.00 0.00 72.50 70.98 2qsk s THR 79 CO 0.44 -0.08 0.78 0.00 -0.54 0.00 0.00 174.62 175.22 2qsk s SER 81 N 1.62 3.56 0.49 0.00 1.04 0.09 -4.90 113.70 115.60 2qsk s SER 81 Ca 0.32 1.66 0.19 0.00 0.48 0.00 0.00 55.95 58.61 2qsk s SER 81 Cb -0.14 -2.32 1.22 0.00 0.10 0.00 0.00 66.02 64.88 2qsk s SER 81 CO 0.12 -2.61 2.00 0.77 0.98 0.00 0.00 173.24 174.50 2qsk h SER 82 N -1.53 0.16 -0.14 7.02 4.64 -1.97 -0.51 113.55 121.22 2qsk h SER 82 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2qsk h SER 82 Cb 1.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2qsk h SER 82 CO 0.52 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 2qsk n SER 83 N -4.44 1.31 -0.23 4.97 3.41 -1.26 -4.93 113.62 112.45 2qsk n SER 83 Ca 0.09 -1.68 -0.01 0.00 -0.26 0.00 0.00 58.87 57.01 2qsk n SER 83 Cb 0.46 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2qsk n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qsk n GLY 84 N 1.04 0.52 3.35 5.00 0.00 -0.20 -4.99 105.19 109.91 2qsk n GLY 84 Ca 0.15 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2qsk n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qsk s PHE 85 N -2.33 2.35 0.39 1.61 0.08 -1.26 -1.18 117.98 117.65 2qsk s PHE 85 Ca 0.01 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 2qsk s PHE 85 Cb -0.00 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.93 2qsk s PHE 85 CO 0.01 0.11 1.29 0.00 -0.10 0.00 0.00 175.22 176.52 2qsk s GLN 87 N -2.17 0.78 0.21 0.00 -2.07 0.05 -4.89 119.66 111.56 2qsk s GLN 87 Ca 0.55 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.69 2qsk s GLN 87 Cb -0.38 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 31.88 2qsk s GLN 87 CO 0.49 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 2qsk n GLY 88 N 0.78 -2.11 3.84 2.60 0.00 -1.26 -1.69 105.19 107.36 2qsk n GLY 88 Ca -0.19 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 2qsk n GLY 88 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qsk s THR 89 N -0.16 5.05 0.29 2.61 -1.32 -1.26 -4.85 115.64 116.01 2qsk s THR 89 Ca 0.00 0.74 0.09 0.00 -1.21 0.00 0.00 61.69 61.31 2qsk s THR 89 Cb 0.00 -3.69 0.01 0.00 -1.51 0.00 0.00 72.50 67.31 2qsk s THR 89 CO 0.00 0.51 1.67 0.00 -2.21 0.00 0.00 174.62 174.59 2qsk h ALA 90 N 4.48 1.06 0.00 11.08 0.00 -1.92 -3.28 119.26 130.69 2qsk h ALA 90 Ca -0.51 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2qsk h ALA 90 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qsk h ALA 90 CO 0.62 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.94 2qsk n GLY 91 N 0.00 0.56 3.82 0.00 0.00 -1.26 -1.08 105.19 107.23 2qsk n GLY 91 Ca -0.02 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2qsk n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qsk s HIS 92 N -2.00 3.29 0.50 1.61 3.76 -1.26 -4.73 115.29 116.45 2qsk s HIS 92 Ca 0.00 1.56 -0.23 0.00 -0.15 0.00 0.00 55.06 56.24 2qsk s HIS 92 Cb 0.00 -2.87 -0.06 0.00 1.11 0.00 0.00 32.58 30.75 2qsk s HIS 92 CO 0.00 -0.34 1.27 0.00 -0.85 0.00 0.00 174.74 174.81 2qsk s ALA 93 N -2.29 2.92 0.05 -1.40 0.00 -0.78 -4.94 121.76 115.32 2qsk s ALA 93 Ca 0.62 1.14 0.23 0.00 0.00 0.00 0.00 51.96 53.95 2qsk s ALA 93 Cb -0.11 -3.48 0.77 0.00 0.00 0.00 0.00 23.12 20.31 2qsk s ALA 93 CO 0.20 -1.01 1.76 0.00 0.00 0.00 0.00 175.76 176.72 2qsk h ALA 94 N 1.81 0.96 0.00 0.00 0.00 -1.96 -3.43 119.26 116.65 2qsk h ALA 94 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2qsk h ALA 94 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qsk h ALA 94 CO 0.59 0.30 0.00 0.00 0.00 0.00 0.00 179.25 180.14