#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 s GLU 2 N 0.00 2.37 -0.13 0.00 2.02 -1.26 -5.03 118.70 116.67 1s62 s GLU 2 Ca 0.00 -1.16 -0.01 0.00 0.02 0.00 0.00 54.97 53.82 1s62 s GLU 2 Cb 0.00 -2.32 -0.08 0.00 0.10 0.00 0.00 34.13 31.83 1s62 s GLU 2 CO 0.00 0.44 -0.13 1.19 0.02 0.00 0.00 175.26 176.78 1s62 n PHE 3 N -0.21 0.00 -1.77 1.61 3.01 -1.26 -5.09 117.46 113.75 1s62 n PHE 3 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1s62 n PHE 3 Cb 0.56 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1s62 n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s62 n GLY 4 N 2.68 1.55 2.46 1.37 0.00 -1.26 -3.69 105.19 108.30 1s62 n GLY 4 Ca -0.24 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 1s62 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s62 n ASN 5 N 4.82 2.99 -0.08 1.61 2.85 -1.26 -4.92 115.26 121.27 1s62 n ASN 5 Ca 0.00 -3.32 -0.10 0.00 -0.11 0.00 0.00 54.58 51.05 1s62 n ASN 5 Cb 0.00 -0.64 -0.03 0.00 1.24 0.00 0.00 39.78 40.35 1s62 n ASN 5 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1s62 h THR 6 N 2.73 1.18 -5.76 -0.44 2.02 -2.01 -3.48 112.91 107.15 1s62 h THR 6 Ca 0.15 -0.54 -0.26 0.00 0.77 0.00 0.00 66.41 66.53 1s62 h THR 6 Cb 0.69 1.04 0.10 0.00 -1.74 0.00 0.00 68.15 68.25 1s62 h THR 6 CO 0.73 0.18 -0.68 1.17 0.37 0.00 0.00 175.52 177.29 1s62 n LYS 7 N -4.77 -1.65 -1.67 6.66 4.81 -1.26 -4.85 118.16 115.43 1s62 n LYS 7 Ca -0.03 0.90 -0.43 0.00 -0.87 0.00 0.00 58.31 57.88 1s62 n LYS 7 Cb 0.13 -5.04 -0.03 0.00 0.02 0.00 0.00 35.03 30.11 1s62 n LYS 7 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s62 n ASN 8 N -2.65 4.07 0.00 3.14 5.15 -1.26 -4.77 115.26 118.94 1s62 n ASN 8 Ca -0.08 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 54.84 1s62 n ASN 8 Cb 0.59 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 1s62 n ASN 8 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1s62 n ASN 9 N 6.88 0.00 0.00 1.20 5.15 -1.26 -5.18 115.26 122.05 1s62 n ASN 9 Ca 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 1s62 n ASN 9 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1s62 n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s62 n GLY 10 N 0.07 -1.77 3.95 8.20 0.00 -1.25 -5.04 105.19 109.35 1s62 n GLY 10 Ca 0.00 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 s ALA 11 N -1.66 3.73 -0.06 4.61 0.00 -1.26 -4.97 121.76 122.16 1s62 s ALA 11 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 1s62 s ALA 11 Cb 0.00 -2.16 -0.23 0.00 0.00 0.00 0.00 23.12 20.74 1s62 s ALA 11 CO 0.00 -0.34 1.06 0.77 0.00 0.00 0.00 175.76 177.25 1s62 h SER 12 N 0.43 0.11 0.00 0.00 0.02 -1.96 -3.47 113.55 108.67 1s62 h SER 12 Ca -0.47 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.76 1s62 h SER 12 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s62 h SER 12 CO 0.58 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.69 1s62 n GLY 13 N 0.87 -1.44 5.12 -3.77 0.00 -1.26 -5.01 105.19 99.70 1s62 n GLY 13 Ca -0.09 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 14 N 0.00 0.00 0.42 4.61 0.00 -1.26 -1.77 120.51 122.52 1s62 n ALA 14 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1s62 n ALA 14 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 1s62 n ALA 14 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1s62 h ASP 15 N 0.00 0.00 0.62 0.00 3.58 -1.99 -3.07 116.42 115.56 1s62 h ASP 15 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1s62 h ASP 15 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1s62 h ASP 15 CO 0.00 0.00 -0.29 0.40 -2.88 0.00 0.00 179.24 176.47 1s62 h ILE 16 N 0.00 0.84 -0.38 2.25 1.08 -1.74 -3.19 117.51 116.38 1s62 h ILE 16 Ca 0.00 -1.16 0.03 0.00 -0.39 0.00 0.00 64.86 63.34 1s62 h ILE 16 Cb 0.68 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 1s62 h ILE 16 CO 0.00 0.28 0.17 -1.13 -0.69 0.00 0.00 178.15 176.78 1s62 h ASN 17 N 0.00 0.23 -0.35 1.72 -1.24 -1.78 0.47 115.58 114.63 1s62 h ASN 17 Ca -0.00 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 1s62 h ASN 17 Cb 0.68 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1s62 h ASN 17 CO 0.04 0.17 0.06 -1.13 -1.29 0.00 0.00 177.43 175.28 1s62 h ASN 18 N 0.35 0.56 -0.49 1.15 -0.73 -1.77 -0.65 115.58 114.01 1s62 h ASN 18 Ca 0.16 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 58.06 1s62 h ASN 18 Cb 0.10 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 1s62 h ASN 18 CO -0.13 0.68 0.24 0.22 -0.37 0.00 0.00 177.43 178.07 1s62 h TYR 19 N 0.42 0.69 -0.65 0.67 3.20 -1.50 0.10 116.97 119.90 1s62 h TYR 19 Ca 0.11 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1s62 h TYR 19 Cb 0.36 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1s62 h TYR 19 CO 0.02 0.54 0.43 0.00 -1.64 0.00 0.00 178.16 177.52 1s62 h ALA 20 N 1.08 0.83 -0.48 1.82 0.00 0.09 0.17 119.26 122.76 1s62 h ALA 20 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s62 h ALA 20 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1s62 h ALA 20 CO -0.02 0.26 0.18 0.78 0.00 0.00 0.00 179.25 180.44 1s62 h GLY 21 N 0.89 0.79 1.23 0.00 0.00 -0.75 -0.55 103.07 104.67 1s62 h GLY 21 Ca 0.24 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1s62 h GLY 21 CO -0.05 0.41 -0.10 0.06 0.00 0.00 0.00 176.54 176.86 1s62 h GLN 22 N 0.64 0.91 -0.10 4.80 3.07 -0.54 -1.52 115.11 122.38 1s62 h GLN 22 Ca 0.16 -0.32 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1s62 h GLN 22 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 1s62 h GLN 22 CO -0.01 0.97 0.01 0.82 0.09 0.00 0.00 178.83 180.71 1s62 h ILE 23 N 0.81 1.22 0.00 1.86 2.04 -0.50 0.10 117.51 123.05 1s62 h ILE 23 Ca 0.13 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1s62 h ILE 23 Cb 0.63 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1s62 h ILE 23 CO 0.04 0.20 -0.08 0.11 0.00 0.00 0.00 178.15 178.42 1s62 h LYS 24 N -0.08 0.00 0.08 2.37 1.57 -1.02 -0.79 116.57 118.71 1s62 h LYS 24 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1s62 h LYS 24 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.62 1s62 h LYS 24 CO 0.00 0.08 -0.62 0.77 -0.57 0.00 0.00 179.45 179.12 1s62 h SER 25 N 0.00 0.40 -0.94 0.86 0.02 -0.93 -3.08 113.55 109.87 1s62 h SER 25 Ca -0.00 -0.90 0.09 0.00 -0.84 0.00 0.00 61.79 60.13 1s62 h SER 25 Cb 0.23 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 1s62 h SER 25 CO 0.01 1.27 0.59 0.00 -1.14 0.00 0.00 176.83 177.56 1s62 h ALA 26 N 0.14 1.35 -0.34 3.77 0.00 -0.15 -0.50 119.26 123.52 1s62 h ALA 26 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1s62 h ALA 26 Cb 1.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1s62 h ALA 26 CO 0.12 0.27 0.19 0.82 0.00 0.00 0.00 179.25 180.65 1s62 h ILE 27 N 1.00 1.14 0.00 0.00 2.04 -1.25 -2.10 117.51 118.35 1s62 h ILE 27 Ca 0.44 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1s62 h ILE 27 Cb 0.31 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1s62 h ILE 27 CO -0.22 0.15 -0.05 -0.08 0.00 0.00 0.00 178.15 177.94 1s62 h GLU 28 N 0.43 0.00 0.00 2.37 4.22 -1.27 -1.77 114.58 118.56 1s62 h GLU 28 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1s62 h GLU 28 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s62 h GLU 28 CO -0.02 0.05 0.00 0.43 -2.18 0.00 0.00 179.01 177.29 1s62 n SER 29 N -3.19 0.25 -0.11 1.04 7.64 -0.27 -1.69 113.62 117.28 1s62 n SER 29 Ca 0.00 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.23 1s62 n SER 29 Cb 0.31 -0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 62.81 1s62 n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s62 n LYS 30 N -1.78 0.50 -3.09 1.43 4.01 -0.71 -4.67 118.16 113.85 1s62 n LYS 30 Ca 0.02 0.19 -0.39 0.00 -0.51 0.00 0.00 58.31 57.62 1s62 n LYS 30 Cb 0.17 -1.35 -0.01 0.00 -0.51 0.00 0.00 35.03 33.32 1s62 n LYS 30 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1s62 n PHE 31 N -3.77 2.59 -1.63 2.13 3.01 -0.90 -5.03 117.46 113.85 1s62 n PHE 31 Ca -0.43 -2.96 -0.48 0.00 1.01 0.00 0.00 57.45 54.59 1s62 n PHE 31 Cb 0.85 -1.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.19 1s62 n PHE 31 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 1s62 n TYR 32 N 1.15 2.17 -0.52 1.38 4.11 -0.68 -1.22 117.16 123.54 1s62 n TYR 32 Ca 0.27 0.02 0.00 0.00 -0.00 0.00 0.00 57.90 58.19 1s62 n TYR 32 Cb 0.35 -2.65 0.00 0.00 -0.00 0.00 0.00 39.34 37.03 1s62 n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1s62 n ASP 33 N 7.86 0.00 -0.03 9.48 2.03 -1.26 -4.73 116.55 129.90 1s62 n ASP 33 Ca 0.27 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.40 1s62 n ASP 33 Cb 0.30 -1.90 -0.13 0.00 -0.72 0.00 0.00 41.12 38.67 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s62 h ALA 34 N 0.00 0.02 0.00 -1.67 0.00 -1.51 -3.32 119.26 112.78 1s62 h ALA 34 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1s62 h ALA 34 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s62 h ALA 34 CO 0.00 0.26 -0.25 0.77 0.00 0.00 0.00 179.25 180.03 1s62 h SER 35 N -0.76 0.00 -1.90 0.00 0.02 -1.57 -3.41 113.55 105.94 1s62 h SER 35 Ca -0.11 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.15 1s62 h SER 35 Cb 1.29 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.68 1s62 h SER 35 CO 0.03 0.25 1.33 -0.44 -1.14 0.00 0.00 176.83 176.86 1s62 s SER 36 N -6.28 6.81 0.00 3.07 0.01 -1.25 -4.63 113.70 111.43 1s62 s SER 36 Ca 0.04 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 54.92 1s62 s SER 36 Cb 0.07 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1s62 s SER 36 CO 0.69 -1.02 0.00 -1.22 0.41 0.00 0.00 173.24 172.09 1s62 n TYR 37 N 6.82 0.00 -3.59 2.43 4.01 -1.26 -4.84 117.16 120.72 1s62 n TYR 37 Ca 0.34 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.94 1s62 n TYR 37 Cb 0.47 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s62 s ALA 38 N -3.18 -1.82 -1.30 -0.72 0.00 -1.26 -4.55 121.76 108.93 1s62 s ALA 38 Ca 0.00 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.67 1s62 s ALA 38 Cb 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1s62 s ALA 38 CO 0.00 -0.33 0.99 0.41 0.00 0.00 0.00 175.76 176.82 1s62 n GLY 39 N 1.89 -0.41 3.17 0.00 0.00 -1.26 -5.01 105.19 103.57 1s62 n GLY 39 Ca -0.15 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1s62 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s62 s LYS 40 N -5.86 0.32 -0.27 1.61 1.02 -1.26 -5.13 119.74 110.17 1s62 s LYS 40 Ca 0.22 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.71 1s62 s LYS 40 Cb -0.10 0.09 0.07 0.00 -0.52 0.00 0.00 37.83 37.37 1s62 s LYS 40 CO 0.76 -0.08 -0.06 0.99 -0.92 0.00 0.00 175.35 176.04 1s62 s THR 41 N 0.49 2.07 -0.32 2.17 2.01 -1.26 -4.44 115.64 116.37 1s62 s THR 41 Ca -0.03 -1.72 -0.09 0.00 0.31 0.00 0.00 61.69 60.15 1s62 s THR 41 Cb -0.04 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1s62 s THR 41 CO -0.03 -0.17 0.15 0.00 -0.69 0.00 0.00 174.62 173.88 1s62 s THR 43 N 1.59 4.26 -0.40 0.00 2.01 0.13 0.30 115.64 123.53 1s62 s THR 43 Ca 0.04 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 1s62 s THR 43 Cb -0.17 -4.73 0.02 0.00 0.01 0.00 0.00 72.50 67.62 1s62 s THR 43 CO 0.06 -1.53 0.88 -0.76 -0.69 0.00 0.00 174.62 172.58 1s62 s LEU 44 N 4.22 4.04 -0.34 4.42 1.43 -0.39 -0.95 118.68 131.11 1s62 s LEU 44 Ca 0.25 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 1s62 s LEU 44 Cb -0.15 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1s62 s LEU 44 CO 0.09 -0.88 1.39 0.00 0.23 0.00 0.00 176.35 177.19 1s62 s ARG 45 N 3.44 3.74 -0.08 1.70 1.04 0.12 -1.20 118.95 127.71 1s62 s ARG 45 Ca 0.36 1.15 -0.00 0.00 -1.04 0.00 0.00 55.73 56.20 1s62 s ARG 45 Cb -0.12 -3.97 0.02 0.00 -2.04 0.00 0.00 34.95 28.85 1s62 s ARG 45 CO 0.20 -1.36 -0.06 0.96 -0.04 0.00 0.00 175.30 175.01 1s62 s ILE 46 N 4.99 0.78 -0.54 4.99 -4.36 -1.26 -0.55 121.20 125.25 1s62 s ILE 46 Ca 0.61 -0.17 -0.13 0.00 -0.26 0.00 0.00 60.65 60.69 1s62 s ILE 46 Cb -0.16 -0.82 0.13 0.00 1.25 0.00 0.00 42.46 42.86 1s62 s ILE 46 CO 0.28 0.31 0.47 -0.54 0.24 0.00 0.00 174.94 175.70 1s62 s LYS 47 N 1.50 2.85 -0.38 0.37 1.02 0.53 -4.34 119.74 121.28 1s62 s LYS 47 Ca -0.01 -1.81 -0.19 0.00 0.02 0.00 0.00 55.97 53.98 1s62 s LYS 47 Cb -0.13 -4.17 0.01 0.00 -0.52 0.00 0.00 37.83 33.02 1s62 s LYS 47 CO -0.04 -1.28 0.54 -1.17 -0.92 0.00 0.00 175.35 172.48 1s62 s LEU 48 N 1.35 4.46 0.62 3.17 2.96 -0.82 -2.53 118.68 127.90 1s62 s LEU 48 Ca 0.06 -0.19 -0.18 0.00 -0.22 0.00 0.00 54.13 53.59 1s62 s LEU 48 Cb -0.27 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1s62 s LEU 48 CO 0.01 -0.57 1.25 0.00 -1.32 0.00 0.00 176.35 175.72 1s62 s ALA 49 N 2.46 2.45 -1.19 5.97 0.00 0.03 -3.97 121.76 127.51 1s62 s ALA 49 Ca 0.19 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1s62 s ALA 49 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1s62 s ALA 49 CO 0.15 -1.40 0.80 -0.35 0.00 0.00 0.00 175.76 174.96 1s62 n PRO 50 N -1.77 0.00 0.00 0.00 -0.04 -1.26 0.20 135.00 132.13 1s62 n PRO 50 Ca 0.15 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1s62 n PRO 50 Cb 0.49 -1.53 0.38 0.00 -0.04 0.00 0.00 33.50 32.79 1s62 n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1s62 n ASP 51 N -1.30 1.19 -1.47 3.54 2.03 -1.26 -4.91 116.55 114.37 1s62 n ASP 51 Ca 0.00 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1s62 n ASP 51 Cb 0.03 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s62 n GLY 52 N 1.32 0.60 3.63 0.27 0.00 0.13 -4.88 105.19 106.27 1s62 n GLY 52 Ca 0.13 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1s62 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s62 s MET 53 N -2.98 0.79 -0.55 1.61 0.23 -1.23 -4.87 119.30 112.30 1s62 s MET 53 Ca 0.00 0.96 -0.22 0.00 -1.03 0.00 0.00 55.69 55.40 1s62 s MET 53 Cb 0.00 0.38 0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1s62 s MET 53 CO 0.00 -0.10 0.85 -0.48 -2.03 0.00 0.00 175.02 173.26 1s62 s LEU 54 N 0.41 4.41 0.03 0.18 0.05 -1.26 -0.79 118.68 121.71 1s62 s LEU 54 Ca -0.00 -0.61 -0.10 0.00 0.05 0.00 0.00 54.13 53.46 1s62 s LEU 54 Cb -0.05 -2.66 -0.32 0.00 -2.05 0.00 0.00 46.19 41.11 1s62 s LEU 54 CO -0.01 -1.16 0.99 -0.07 -0.55 0.00 0.00 176.35 175.56 1s62 h LEU 55 N 10.65 0.65 -7.94 1.48 4.07 -1.89 -3.44 115.31 118.87 1s62 h LEU 55 Ca -0.27 -0.73 -0.60 0.00 0.08 0.00 0.00 57.88 56.36 1s62 h LEU 55 Cb 1.08 -0.21 -0.35 0.00 1.08 0.00 0.00 40.66 42.26 1s62 h LEU 55 CO 1.07 1.58 -0.84 -0.62 -1.08 0.00 0.00 178.44 178.55 1s62 s ASP 56 N -7.36 2.63 -0.19 -0.43 2.15 -1.24 -5.02 116.67 107.21 1s62 s ASP 56 Ca -0.08 -0.47 -0.04 0.00 0.43 0.00 0.00 52.55 52.38 1s62 s ASP 56 Cb 0.05 -1.16 0.08 0.00 -0.30 0.00 0.00 42.92 41.59 1s62 s ASP 56 CO 0.91 -0.03 0.17 -0.51 -0.17 0.00 0.00 175.17 175.55 1s62 s ILE 57 N 1.30 -0.24 -0.00 4.11 2.07 -1.25 -0.35 121.20 126.83 1s62 s ILE 57 Ca 0.01 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.12 1s62 s ILE 57 Cb -0.14 -0.63 -0.00 0.00 0.13 0.00 0.00 42.46 41.82 1s62 s ILE 57 CO -0.07 -0.22 0.02 -0.54 -1.91 0.00 0.00 174.94 172.21 1s62 s LYS 58 N 2.26 0.14 -0.52 3.50 1.02 0.29 -4.98 119.74 121.44 1s62 s LYS 58 Ca 0.05 -0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 1s62 s LYS 58 Cb -0.16 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 1s62 s LYS 58 CO -0.11 -0.02 1.76 -2.14 -0.92 0.00 0.00 175.35 173.92 1s62 s PRO 59 N -0.48 2.95 -0.02 -1.68 0.02 -1.26 0.14 135.00 134.67 1s62 s PRO 59 Ca -0.05 0.81 -0.26 0.00 0.02 0.00 0.00 61.00 61.52 1s62 s PRO 59 Cb -0.03 -4.28 -0.20 0.00 0.02 0.00 0.00 34.50 30.00 1s62 s PRO 59 CO -0.00 -2.34 1.25 1.49 -0.33 0.00 0.00 177.00 177.07 1s62 h GLU 60 N 13.65 0.03 -1.31 5.54 4.57 -1.39 -3.47 114.58 132.20 1s62 h GLU 60 Ca -0.28 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1s62 h GLU 60 Cb 1.15 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.44 1s62 h GLU 60 CO 1.16 0.54 0.66 0.20 -1.18 0.00 0.00 179.01 180.38 1s62 s GLY 61 N -3.26 0.16 0.00 1.92 0.00 -1.15 -5.02 107.32 99.98 1s62 s GLY 61 Ca -0.16 3.22 0.00 0.00 0.00 0.00 0.00 44.72 47.78 1s62 s GLY 61 CO 0.68 2.07 0.00 0.61 0.00 0.00 0.00 173.10 176.46 1s62 n GLY 62 N 2.22 -1.30 2.89 0.20 0.00 -1.26 0.20 105.19 108.14 1s62 n GLY 62 Ca -0.13 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 1s62 n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s62 s ASP 63 N -4.00 0.08 0.35 1.61 -1.08 -1.26 -4.87 116.67 107.50 1s62 s ASP 63 Ca 0.00 0.27 0.07 0.00 -0.52 0.00 0.00 52.55 52.37 1s62 s ASP 63 Cb 0.00 0.16 0.75 0.00 -1.46 0.00 0.00 42.92 42.37 1s62 s ASP 63 CO 0.00 -0.16 1.90 1.55 0.52 0.00 0.00 175.17 178.97 1s62 h PRO 64 N 7.46 0.74 0.01 4.34 0.13 -2.00 0.15 132.00 142.84 1s62 h PRO 64 Ca -0.38 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1s62 h PRO 64 Cb 1.13 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1s62 h PRO 64 CO 0.38 0.49 -0.12 0.00 -0.23 0.00 0.00 178.00 178.52 1s62 h ALA 65 N 1.59 0.01 -0.40 -0.56 0.00 -2.00 -2.98 119.26 114.92 1s62 h ALA 65 Ca 0.41 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1s62 h ALA 65 Cb 0.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1s62 h ALA 65 CO -0.17 0.00 0.15 1.25 0.00 0.00 0.00 179.25 180.49 1s62 h LEU 66 N -0.72 0.55 -0.41 0.00 5.85 -1.85 -2.98 115.31 115.75 1s62 h LEU 66 Ca -0.02 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1s62 h LEU 66 Cb 0.95 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1s62 h LEU 66 CO 0.02 0.57 0.05 0.00 -0.34 0.00 0.00 178.44 178.75 1s62 h GLN 68 N 0.53 0.02 0.00 0.00 4.15 -1.51 0.33 115.11 118.63 1s62 h GLN 68 Ca 0.12 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1s62 h GLN 68 Cb 0.39 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1s62 h GLN 68 CO 0.01 0.01 -0.17 0.00 -1.93 0.00 0.00 178.83 176.76 1s62 h ALA 69 N 1.14 1.64 0.00 3.38 0.00 -1.49 -1.62 119.26 122.30 1s62 h ALA 69 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1s62 h ALA 69 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s62 h ALA 69 CO -0.14 0.21 -0.13 0.00 0.00 0.00 0.00 179.25 179.19 1s62 h ALA 70 N 1.83 0.03 -0.62 0.00 0.00 -0.78 -3.10 119.26 116.62 1s62 h ALA 70 Ca -0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1s62 h ALA 70 Cb 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1s62 h ALA 70 CO 0.02 0.08 0.07 1.37 0.00 0.00 0.00 179.25 180.79 1s62 h LEU 71 N -1.00 1.00 -0.66 0.00 8.10 -0.35 0.17 115.31 122.56 1s62 h LEU 71 Ca -0.03 -0.25 -0.10 0.00 0.11 0.00 0.00 57.88 57.61 1s62 h LEU 71 Cb 0.88 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1s62 h LEU 71 CO -0.02 1.01 -0.06 0.00 -4.11 0.00 0.00 178.44 175.26 1s62 h ALA 72 N 1.10 0.87 -0.04 0.17 0.00 -1.46 -2.99 119.26 116.90 1s62 h ALA 72 Ca 0.19 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1s62 h ALA 72 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s62 h ALA 72 CO 0.02 0.65 -0.75 0.00 0.00 0.00 0.00 179.25 179.17 1s62 h ALA 73 N 1.04 0.64 0.00 0.00 0.00 -1.42 -3.15 119.26 116.36 1s62 h ALA 73 Ca 0.15 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1s62 h ALA 73 Cb 0.60 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1s62 h ALA 73 CO 0.04 0.81 -0.00 0.00 0.00 0.00 0.00 179.25 180.10 1s62 h ALA 74 N 1.03 1.89 0.00 0.00 0.00 -0.82 -0.07 119.26 121.29 1s62 h ALA 74 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1s62 h ALA 74 Cb 1.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1s62 h ALA 74 CO 0.12 0.00 -0.16 0.87 0.00 0.00 0.00 179.25 180.08 1s62 h LYS 75 N 0.00 0.00 0.00 0.00 1.57 -1.50 -3.11 116.57 113.53 1s62 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s62 h LYS 75 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1s62 h LYS 75 CO 0.00 0.16 -1.95 1.28 -0.57 0.00 0.00 179.45 178.37 1s62 n LEU 76 N -3.30 0.00 -4.72 2.94 7.99 -0.20 -4.94 117.00 114.77 1s62 n LEU 76 Ca 0.00 -0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.59 1s62 n LEU 76 Cb 0.41 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.68 1s62 n LEU 76 CO 0.32 0.00 0.79 0.00 -1.51 0.00 0.00 177.39 176.99 1s62 s ALA 77 N -3.45 3.33 -0.91 -1.18 0.00 -0.25 -4.98 121.76 114.33 1s62 s ALA 77 Ca -0.08 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 1s62 s ALA 77 Cb 0.13 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 20.00 1s62 s ALA 77 CO 0.87 -0.26 1.15 0.21 0.00 0.00 0.00 175.76 177.73 1s62 s LYS 78 N 0.34 3.54 -0.09 0.00 2.36 -1.26 -4.94 119.74 119.69 1s62 s LYS 78 Ca 0.52 -1.56 -0.30 0.00 -2.55 0.00 0.00 55.97 52.08 1s62 s LYS 78 Cb -0.27 -4.89 -0.03 0.00 -1.05 0.00 0.00 37.83 31.58 1s62 s LYS 78 CO 0.31 -1.84 1.38 0.42 1.55 0.00 0.00 175.35 177.18 1s62 s ILE 79 N 3.15 3.98 0.69 5.43 -1.09 -1.26 -4.99 121.20 127.11 1s62 s ILE 79 Ca 0.33 1.24 -0.16 0.00 -2.23 0.00 0.00 60.65 59.84 1s62 s ILE 79 Cb -0.06 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1s62 s ILE 79 CO -0.07 -0.08 1.20 -2.84 -1.23 0.00 0.00 174.94 171.92 1s62 s PRO 80 N 3.27 2.44 0.22 2.79 0.02 -1.26 -4.88 135.00 137.60 1s62 s PRO 80 Ca 0.61 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 1s62 s PRO 80 Cb -0.27 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 1s62 s PRO 80 CO 0.22 -1.60 1.30 0.15 -0.33 0.00 0.00 177.00 176.74 1s62 s LYS 81 N -3.79 4.39 -0.13 5.54 1.02 -1.26 -4.89 119.74 120.61 1s62 s LYS 81 Ca 0.74 2.07 -0.32 0.00 0.02 0.00 0.00 55.97 58.48 1s62 s LYS 81 Cb -0.28 -3.18 -0.10 0.00 -0.52 0.00 0.00 37.83 33.75 1s62 s LYS 81 CO 0.42 -0.23 2.03 -0.35 -0.92 0.00 0.00 175.35 176.29 1s62 n PRO 82 N 2.36 2.11 -0.07 -1.68 -0.04 -1.26 -4.90 135.00 131.52 1s62 n PRO 82 Ca 0.05 0.71 -0.14 0.00 -0.04 0.00 0.00 63.50 64.09 1s62 n PRO 82 Cb 0.43 -2.84 -0.13 0.00 -0.04 0.00 0.00 33.50 30.92 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1s62 h PRO 83 N 11.38 -0.00 -7.10 0.54 0.13 -2.00 -3.47 132.00 131.48 1s62 h PRO 83 Ca -0.44 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.20 1s62 h PRO 83 Cb 1.27 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.42 1s62 h PRO 83 CO 0.96 0.98 0.27 -1.54 -0.23 0.00 0.00 178.00 178.44 1s62 s SER 84 N -6.20 6.44 0.27 1.44 1.04 -1.26 -4.98 113.70 110.45 1s62 s SER 84 Ca -0.19 1.31 0.14 0.00 0.48 0.00 0.00 55.95 57.69 1s62 s SER 84 Cb -0.03 -2.41 0.27 0.00 0.10 0.00 0.00 66.02 63.95 1s62 s SER 84 CO 0.69 -0.60 1.54 1.56 0.98 0.00 0.00 173.24 177.40 1s62 h GLN 85 N 0.59 0.00 -0.89 4.02 7.50 -2.00 -3.16 115.11 121.17 1s62 h GLN 85 Ca -0.46 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.68 1s62 h GLN 85 Cb 1.19 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.68 1s62 h GLN 85 CO 0.62 0.59 0.54 0.00 -1.50 0.00 0.00 178.83 179.09 1s62 h ALA 86 N 1.41 1.13 -0.66 3.87 0.00 -1.97 -1.68 119.26 121.36 1s62 h ALA 86 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1s62 h ALA 86 Cb 1.25 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1s62 h ALA 86 CO 0.08 0.58 0.35 0.28 0.00 0.00 0.00 179.25 180.54 1s62 h VAL 87 N 1.22 1.21 -0.32 0.00 2.07 -1.92 -1.99 116.25 116.52 1s62 h VAL 87 Ca 0.32 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1s62 h VAL 87 Cb -0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1s62 h VAL 87 CO -0.06 0.24 0.22 0.22 0.02 0.00 0.00 177.57 178.21 1s62 h TYR 88 N 0.91 0.28 0.00 1.57 3.20 -1.36 -0.93 116.97 120.64 1s62 h TYR 88 Ca 0.23 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.94 1s62 h TYR 88 Cb 0.07 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1s62 h TYR 88 CO -0.00 0.16 -0.80 0.93 -1.64 0.00 0.00 178.16 176.81 1s62 h GLU 89 N 0.29 0.02 0.00 1.82 4.39 -0.58 -3.38 114.58 117.14 1s62 h GLU 89 Ca 0.13 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 1s62 h GLU 89 Cb 0.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1s62 h GLU 89 CO -0.03 0.81 -1.26 0.28 -1.16 0.00 0.00 179.01 177.65 1s62 n VAL 90 N -3.60 1.50 0.16 3.13 0.31 -0.80 -3.81 118.33 115.23 1s62 n VAL 90 Ca -0.01 -0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.39 1s62 n VAL 90 Cb 0.77 -2.13 0.39 0.00 -0.91 0.00 0.00 33.84 31.96 1s62 n VAL 90 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1s62 n PHE 91 N -4.45 0.49 0.58 3.52 -1.74 -0.42 -1.08 117.46 114.35 1s62 n PHE 91 Ca -0.28 0.24 0.12 0.00 -0.56 0.00 0.00 57.45 56.97 1s62 n PHE 91 Cb 0.59 -0.89 0.45 0.00 1.52 0.00 0.00 39.48 41.16 1s62 n PHE 91 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 1s62 n LYS 92 N -1.99 0.18 -0.38 3.97 2.85 -1.25 -1.94 118.16 119.60 1s62 n LYS 92 Ca -0.00 0.27 -0.01 0.00 -1.05 0.00 0.00 58.31 57.52 1s62 n LYS 92 Cb 0.05 -1.76 -0.01 0.00 -0.65 0.00 0.00 35.03 32.67 1s62 n LYS 92 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1s62 n ASN 93 N -2.08 -0.12 -4.13 -5.58 6.94 -0.97 -4.59 115.26 104.74 1s62 n ASN 93 Ca 0.04 -0.66 -0.32 0.00 -0.02 0.00 0.00 54.58 53.63 1s62 n ASN 93 Cb 0.32 0.03 -0.16 0.00 -2.36 0.00 0.00 39.78 37.61 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s62 s ALA 94 N 0.00 2.13 0.66 -2.53 0.00 -0.24 -5.03 121.76 116.74 1s62 s ALA 94 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1s62 s ALA 94 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1s62 s ALA 94 CO 0.00 -0.13 1.08 -2.14 0.00 0.00 0.00 175.76 174.56 1s62 s PRO 95 N 1.00 2.95 -0.13 0.00 0.02 -1.26 -4.68 135.00 132.90 1s62 s PRO 95 Ca -0.03 1.19 -0.14 0.00 0.02 0.00 0.00 61.00 62.03 1s62 s PRO 95 Cb -0.15 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 1s62 s PRO 95 CO -0.05 -1.11 0.31 -1.17 -0.33 0.00 0.00 177.00 174.66 1s62 s LEU 96 N -5.04 4.30 -0.41 -5.54 2.96 -0.34 -4.92 118.68 109.69 1s62 s LEU 96 Ca 0.63 0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 54.87 1s62 s LEU 96 Cb -0.17 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.14 1s62 s LEU 96 CO 0.45 0.16 1.03 -0.62 -1.32 0.00 0.00 176.35 176.05 1s62 s ASP 97 N 0.06 6.69 -0.23 3.68 2.15 -1.26 -1.26 116.67 126.50 1s62 s ASP 97 Ca 0.18 0.57 -0.07 0.00 0.43 0.00 0.00 52.55 53.67 1s62 s ASP 97 Cb -0.14 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1s62 s ASP 97 CO 0.06 -1.03 0.05 0.12 -0.17 0.00 0.00 175.17 174.20 1s62 s PHE 98 N 3.90 3.10 0.15 -5.34 5.36 0.15 -4.95 117.98 120.35 1s62 s PHE 98 Ca 0.43 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 55.93 1s62 s PHE 98 Cb -0.10 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1s62 s PHE 98 CO 0.24 -0.25 0.35 -1.59 -1.46 0.00 0.00 175.22 172.51 1s62 s LYS 99 N 1.26 1.15 -0.67 10.12 -2.85 -1.26 0.00 119.74 127.50 1s62 s LYS 99 Ca 0.04 -0.98 -0.40 0.00 -1.00 0.00 0.00 55.97 53.64 1s62 s LYS 99 Cb -0.15 0.43 -0.20 0.00 -2.06 0.00 0.00 37.83 35.85 1s62 s LYS 99 CO 0.03 -0.44 2.33 -2.30 0.10 0.00 0.00 175.35 175.07 1s62 n PRO 100 N -0.22 0.01 -1.81 1.78 -0.01 -1.26 -4.84 135.00 128.64 1s62 n PRO 100 Ca -0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 63.50 63.04 1s62 n PRO 100 Cb 0.63 -1.51 0.05 0.00 -0.01 0.00 0.00 33.50 32.66 1s62 n PRO 100 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 175.50 172.11 1s62 s HIS 101 N 7.02 2.45 -2.00 6.00 -3.43 -1.26 -5.03 115.29 119.05 1s62 s HIS 101 Ca 1.25 1.56 0.31 0.00 -0.80 0.00 0.00 55.06 57.38 1s62 s HIS 101 Cb -1.41 -3.31 1.84 0.00 -1.43 0.00 0.00 32.58 28.26 1s62 s HIS 101 CO 0.60 -1.97 2.16 -2.39 -2.00 0.00 0.00 174.74 171.14