#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzi s ILE 4 N 0.00 3.96 -0.02 -0.08 -0.00 -0.10 -4.93 121.20 120.03 2qzi s ILE 4 Ca 0.00 -0.90 -0.30 0.00 -0.00 0.00 0.00 60.65 59.45 2qzi s ILE 4 Cb 0.00 -2.84 -0.07 0.00 -0.00 0.00 0.00 42.46 39.55 2qzi s ILE 4 CO 0.00 0.20 1.73 0.21 -0.00 0.00 0.00 174.94 177.08 2qzi s ASN 5 N -2.04 6.61 -0.04 4.36 3.84 -1.26 -1.80 114.94 124.61 2qzi s ASN 5 Ca 0.23 2.36 0.05 0.00 0.21 0.00 0.00 52.86 55.72 2qzi s ASN 5 Cb -0.12 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.13 2qzi s ASN 5 CO 0.15 -0.95 1.03 0.35 -2.79 0.00 0.00 177.10 174.89 2qzi n THR 6 N 5.42 1.20 -0.02 -5.21 -2.24 -0.11 -4.83 114.28 108.50 2qzi n THR 6 Ca 0.18 -1.31 -0.09 0.00 -2.27 0.00 0.00 64.05 60.55 2qzi n THR 6 Cb 0.42 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2qzi n THR 6 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qzi h THR 7 N 0.22 0.35 -1.08 4.28 2.02 -1.86 -3.11 112.91 113.72 2qzi h THR 7 Ca 0.00 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.51 2qzi h THR 7 Cb 0.68 0.35 -0.13 0.00 -1.74 0.00 0.00 68.15 67.31 2qzi h THR 7 CO 0.00 0.00 0.66 4.11 0.37 0.00 0.00 175.52 180.66 2qzi h TRP 8 N -0.32 0.78 -0.01 3.16 0.09 -1.92 0.36 115.95 118.09 2qzi h TRP 8 Ca 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 58.89 59.12 2qzi h TRP 8 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 29.16 29.53 2qzi h TRP 8 CO -0.39 -0.10 -0.02 1.79 0.09 0.00 0.00 178.44 179.80 2qzi h THR 9 N 0.31 1.46 0.00 0.12 1.35 -1.94 -3.39 112.91 110.82 2qzi h THR 9 Ca 0.71 -1.39 -0.69 0.00 -0.55 0.00 0.00 66.41 64.49 2qzi h THR 9 Cb 1.79 2.38 -0.02 0.00 -1.73 0.00 0.00 68.15 70.57 2qzi h THR 9 CO -0.48 0.37 3.04 1.41 -0.25 0.00 0.00 175.52 179.61 2qzi n HIS 10 N -4.78 3.17 -0.07 4.73 8.25 0.12 -4.73 115.22 121.90 2qzi n HIS 10 Ca -0.09 -2.78 -0.11 0.00 -0.26 0.00 0.00 57.72 54.48 2qzi n HIS 10 Cb 0.31 -2.40 -0.08 0.00 1.12 0.00 0.00 29.99 28.94 2qzi n HIS 10 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2qzi h GLN 11 N 6.26 0.00 -0.96 -0.41 1.08 -1.77 -1.50 115.11 117.80 2qzi h GLN 11 Ca 0.56 0.00 0.31 0.00 -1.45 0.00 0.00 58.65 58.07 2qzi h GLN 11 Cb 0.62 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.89 2qzi h GLN 11 CO 1.89 0.59 0.40 1.05 -0.95 0.00 0.00 178.83 181.81 2qzi h GLU 12 N -1.00 0.20 -0.00 1.46 4.11 -1.96 0.99 114.58 118.37 2qzi h GLU 12 Ca -0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2qzi h GLU 12 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2qzi h GLU 12 CO -0.06 0.13 -0.60 1.28 0.07 0.00 0.00 179.01 179.84 2qzi n LEU 13 N -5.18 1.04 -0.07 3.06 4.77 -1.25 -2.21 117.00 117.16 2qzi n LEU 13 Ca 0.29 -0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.73 2qzi n LEU 13 Cb 0.92 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.78 2qzi n LEU 13 CO 0.05 0.22 -0.28 0.58 -1.33 0.00 0.00 177.39 176.64 2qzi h VAL 14 N 0.70 1.15 -0.99 4.08 2.07 -0.16 -3.40 116.25 119.70 2qzi h VAL 14 Ca 0.00 -2.27 0.09 0.00 0.82 0.00 0.00 66.70 65.34 2qzi h VAL 14 Cb 0.55 2.63 -0.07 0.00 -1.52 0.00 0.00 31.29 32.87 2qzi h VAL 14 CO 0.00 0.48 0.63 0.78 0.02 0.00 0.00 177.57 179.49 2qzi h ASN 15 N -0.83 0.97 -0.64 0.57 -0.26 0.88 -2.76 115.58 113.51 2qzi h ASN 15 Ca -0.25 0.03 0.06 0.00 -0.56 0.00 0.00 56.30 55.58 2qzi h ASN 15 Cb 1.34 -0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 38.37 2qzi h ASN 15 CO -0.09 0.57 0.33 -1.13 -1.06 0.00 0.00 177.43 176.05 2qzi h ASN 16 N 1.07 0.47 1.34 5.81 -1.24 -1.65 0.01 115.58 121.39 2qzi h ASN 16 Ca 0.46 0.04 -0.13 0.00 0.71 0.00 0.00 56.30 57.37 2qzi h ASN 16 Cb 0.33 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 2qzi h ASN 16 CO -0.21 0.30 -0.63 1.56 -1.29 0.00 0.00 177.43 177.16 2qzi h GLN 17 N 0.61 0.00 0.43 6.67 4.20 -1.71 0.13 115.11 125.44 2qzi h GLN 17 Ca 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2qzi h GLN 17 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2qzi h GLN 17 CO -0.20 0.63 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.31 2qzi h LEU 18 N 0.00 -0.49 0.00 1.46 3.38 -1.40 -3.15 115.31 115.11 2qzi h LEU 18 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qzi h LEU 18 Cb 1.47 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2qzi h LEU 18 CO 0.08 -0.21 0.00 0.47 0.09 0.00 0.00 178.44 178.87 2qzi n ASP 19 N -5.26 0.00 0.03 -0.43 9.92 -0.02 -4.41 116.55 116.38 2qzi n ASP 19 Ca -0.11 0.73 -0.08 0.00 -0.53 0.00 0.00 54.79 54.80 2qzi n ASP 19 Cb 0.28 -0.23 -0.13 0.00 -0.64 0.00 0.00 41.12 40.40 2qzi n ASP 19 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2qzi h ASN 20 N 0.00 0.04 -2.31 -2.24 2.35 -0.93 -3.46 115.58 109.02 2qzi h ASN 20 Ca 0.00 -0.05 -0.46 0.00 -0.55 0.00 0.00 56.30 55.23 2qzi h ASN 20 Cb 0.00 -0.01 0.08 0.00 0.05 0.00 0.00 38.32 38.44 2qzi h ASN 20 CO 0.00 1.04 0.10 0.42 -1.65 0.00 0.00 177.43 177.35 2qzi s THR 21 N -2.66 2.20 -0.57 2.81 -4.23 -1.19 -5.01 115.64 106.99 2qzi s THR 21 Ca -0.02 -0.57 0.26 0.00 -1.18 0.00 0.00 61.69 60.18 2qzi s THR 21 Cb 0.09 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.59 2qzi s THR 21 CO 0.83 0.00 1.76 -2.24 -0.54 0.00 0.00 174.62 174.42 2qzi h ASP 22 N -0.50 0.00 -2.65 3.99 2.03 -1.88 -3.44 116.42 113.97 2qzi h ASP 22 Ca -0.38 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.36 2qzi h ASP 22 Cb 1.27 0.00 0.20 0.00 -0.83 0.00 0.00 39.33 39.97 2qzi h ASP 22 CO 0.42 0.00 -0.92 0.00 -1.03 0.00 0.00 179.24 177.71 2qzi n ALA 23 N -1.83 -2.85 -0.04 4.15 0.00 -1.26 -4.54 120.51 114.14 2qzi n ALA 23 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2qzi n ALA 23 Cb 0.36 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2qzi n ALA 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2qzi n PHE 24 N -2.26 0.00 -3.78 0.00 -1.74 0.05 -4.65 117.46 105.07 2qzi n PHE 24 Ca 0.07 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.67 2qzi n PHE 24 Cb 0.51 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.35 2qzi n PHE 24 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2qzi s LEU 25 N -0.84 1.79 -0.20 5.98 2.96 -0.78 -4.98 118.68 122.62 2qzi s LEU 25 Ca 0.00 -1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 52.77 2qzi s LEU 25 Cb 0.00 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.90 2qzi s LEU 25 CO 0.00 -0.32 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.88 2qzi s VAL 26 N 1.69 2.52 0.03 1.68 1.01 -1.26 -0.79 120.40 125.28 2qzi s VAL 26 Ca 0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2qzi s VAL 26 Cb -0.18 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2qzi s VAL 26 CO -0.12 0.46 -0.10 -1.61 0.00 0.00 0.00 175.10 173.72 2qzi s GLU 27 N 1.34 0.70 0.19 2.72 2.02 0.63 -4.96 118.70 121.35 2qzi s GLU 27 Ca 0.04 -0.62 0.10 0.00 0.02 0.00 0.00 54.97 54.52 2qzi s GLU 27 Cb -0.14 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.42 2qzi s GLU 27 CO -0.09 0.15 -0.15 0.95 0.02 0.00 0.00 175.26 176.14 2qzi s THR 28 N -0.82 2.84 0.03 3.63 -4.23 -1.26 0.77 115.64 116.59 2qzi s THR 28 Ca -0.02 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.60 2qzi s THR 28 Cb -0.07 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 2qzi s THR 28 CO 0.01 -0.13 0.09 -0.31 -0.54 0.00 0.00 174.62 173.74 2qzi s TYR 29 N -1.74 0.17 -0.09 3.99 2.02 0.16 -0.94 117.35 120.92 2qzi s TYR 29 Ca 0.24 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2qzi s TYR 29 Cb -0.08 -0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.34 2qzi s TYR 29 CO 0.13 -0.33 -0.19 -1.12 -1.57 0.00 0.00 175.55 172.47 2qzi s SER 30 N -1.87 3.53 0.06 2.29 0.01 -0.74 -0.40 113.70 116.58 2qzi s SER 30 Ca -0.09 -0.41 0.20 0.00 1.31 0.00 0.00 55.95 56.97 2qzi s SER 30 Cb -0.04 -1.17 -0.15 0.00 0.21 0.00 0.00 66.02 64.87 2qzi s SER 30 CO -0.03 0.22 0.74 0.00 0.41 0.00 0.00 173.24 174.59 2qzi n ALA 31 N 3.11 2.32 -2.00 1.44 0.00 -0.38 -0.92 120.51 124.07 2qzi n ALA 31 Ca -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2qzi n ALA 31 Cb 0.52 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2qzi n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qzi n GLY 32 N 1.32 -0.52 1.09 0.00 0.00 -1.26 -4.14 105.19 101.68 2qzi n GLY 32 Ca -0.07 0.60 0.08 0.00 0.00 0.00 0.00 46.02 46.63 2qzi n GLY 32 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qzi n ASN 33 N 0.00 3.83 -4.71 1.61 0.23 -1.26 -4.89 115.26 110.08 2qzi n ASN 33 Ca 0.00 -2.32 -0.40 0.00 -0.53 0.00 0.00 54.58 51.32 2qzi n ASN 33 Cb 0.00 -0.43 -0.04 0.00 -2.08 0.00 0.00 39.78 37.22 2qzi n ASN 33 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2qzi s THR 34 N -1.60 5.00 0.01 5.53 -4.23 -1.26 -4.11 115.64 114.98 2qzi s THR 34 Ca 0.39 1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 62.43 2qzi s THR 34 Cb 0.25 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 2qzi s THR 34 CO 0.20 0.20 0.18 1.51 -0.54 0.00 0.00 174.62 176.16 2qzi s ASP 35 N 0.90 6.28 -0.16 3.99 -4.77 -0.43 -1.25 116.67 121.23 2qzi s ASP 35 Ca 0.39 0.30 -0.01 0.00 -3.30 0.00 0.00 52.55 49.94 2qzi s ASP 35 Cb -0.18 -1.94 0.04 0.00 -1.09 0.00 0.00 42.92 39.75 2qzi s ASP 35 CO 0.18 0.24 -0.05 -0.69 0.70 0.00 0.00 175.17 175.55 2qzi s VAL 36 N -1.35 1.06 -0.18 2.11 1.01 0.46 -1.90 120.40 121.61 2qzi s VAL 36 Ca 0.29 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2qzi s VAL 36 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2qzi s VAL 36 CO 0.20 0.16 0.45 -0.69 0.00 0.00 0.00 175.10 175.22 2qzi s VAL 37 N 1.66 5.17 -0.21 2.92 1.01 0.82 0.37 120.40 132.13 2qzi s VAL 37 Ca 0.01 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 2qzi s VAL 37 Cb -0.15 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2qzi s VAL 37 CO -0.08 0.24 -0.12 0.12 0.00 0.00 0.00 175.10 175.26 2qzi s PHE 38 N 1.28 2.92 0.18 5.22 5.36 0.23 -0.91 117.98 132.26 2qzi s PHE 38 Ca 0.22 -1.49 0.08 0.00 -0.96 0.00 0.00 56.93 54.78 2qzi s PHE 38 Cb -0.15 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 2qzi s PHE 38 CO 0.09 -0.73 -0.17 0.95 -1.46 0.00 0.00 175.22 173.90 2qzi s THR 39 N 1.33 1.79 -0.06 0.12 -4.23 -0.66 -0.26 115.64 113.66 2qzi s THR 39 Ca 0.03 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2qzi s THR 39 Cb -0.15 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.80 2qzi s THR 39 CO -0.08 -0.43 -0.07 -1.58 -0.54 0.00 0.00 174.62 171.92 2qzi s GLN 40 N -3.13 1.17 0.37 3.99 0.74 0.03 -1.77 119.66 121.06 2qzi s GLN 40 Ca 0.18 -0.21 0.06 0.00 0.05 0.00 0.00 55.36 55.44 2qzi s GLN 40 Cb -0.04 -1.10 -0.07 0.00 1.10 0.00 0.00 33.01 32.90 2qzi s GLN 40 CO 0.07 -0.07 0.02 0.00 -0.55 0.00 0.00 175.29 174.75 2qzi s ALA 41 N 0.95 2.86 0.23 1.58 0.00 -0.42 -0.77 121.76 126.18 2qzi s ALA 41 Ca -0.10 -2.20 -0.30 0.00 0.00 0.00 0.00 51.96 49.36 2qzi s ALA 41 Cb -0.15 0.31 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 2qzi s ALA 41 CO 0.00 -0.16 1.47 -2.14 0.00 0.00 0.00 175.76 174.93 2qzi s PRO 42 N -3.76 4.25 0.00 0.00 0.02 -1.26 -2.91 135.00 131.34 2qzi s PRO 42 Ca 0.35 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2qzi s PRO 42 Cb 0.09 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.49 2qzi s PRO 42 CO 0.17 -0.46 0.00 1.63 -0.33 0.00 0.00 177.00 178.01 2qzi n LYS 43 N 2.66 0.00 -3.65 5.54 4.76 -1.25 -5.01 118.16 121.22 2qzi n LYS 43 Ca 0.08 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.52 2qzi n LYS 43 Cb 0.40 -2.09 -0.06 0.00 -1.84 0.00 0.00 35.03 31.44 2qzi n LYS 43 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2qzi s HIS 44 N -3.65 -0.37 0.52 2.13 -3.43 -1.14 -2.47 115.29 106.88 2qzi s HIS 44 Ca 0.00 0.74 -0.11 0.00 -0.80 0.00 0.00 55.06 54.90 2qzi s HIS 44 Cb 0.00 0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.32 2qzi s HIS 44 CO 0.00 -0.18 0.91 0.71 -2.00 0.00 0.00 174.74 174.18 2qzi s TYR 45 N 1.20 3.55 -0.00 0.38 2.02 -0.46 -1.30 117.35 122.73 2qzi s TYR 45 Ca -0.08 1.16 -0.02 0.00 -0.37 0.00 0.00 57.07 57.76 2qzi s TYR 45 Cb -0.03 -2.58 -0.00 0.00 -0.40 0.00 0.00 41.96 38.95 2qzi s TYR 45 CO -0.13 -0.41 0.03 -1.21 -1.57 0.00 0.00 175.55 172.26 2qzi s GLU 46 N -4.60 0.20 -0.09 -0.62 0.41 -0.73 -1.49 118.70 111.78 2qzi s GLU 46 Ca 0.53 -0.23 0.02 0.00 -0.41 0.00 0.00 54.97 54.89 2qzi s GLU 46 Cb -0.10 0.08 0.01 0.00 -1.78 0.00 0.00 34.13 32.34 2qzi s GLU 46 CO 0.43 -0.04 -0.15 -0.51 -0.49 0.00 0.00 175.26 174.51 2qzi s LEU 47 N -0.66 1.70 -0.15 1.80 1.43 -0.65 -1.66 118.68 120.50 2qzi s LEU 47 Ca -0.07 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2qzi s LEU 47 Cb -0.05 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 2qzi s LEU 47 CO -0.00 0.03 -0.14 -0.76 0.23 0.00 0.00 176.35 175.71 2qzi s LEU 48 N 0.82 2.56 -0.06 1.79 1.02 -0.09 -0.53 118.68 124.18 2qzi s LEU 48 Ca -0.11 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.61 2qzi s LEU 48 Cb -0.16 -1.58 0.03 0.00 0.02 0.00 0.00 46.19 44.50 2qzi s LEU 48 CO 0.02 0.11 -0.01 -0.63 0.02 0.00 0.00 176.35 175.86 2qzi s ILE 49 N 0.66 0.37 -0.05 -0.59 1.01 -0.42 -0.13 121.20 122.05 2qzi s ILE 49 Ca -0.07 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 2qzi s ILE 49 Cb -0.16 -0.49 0.07 0.00 0.01 0.00 0.00 42.46 41.89 2qzi s ILE 49 CO 0.02 0.23 0.66 -0.94 0.00 0.00 0.00 174.94 174.92 2qzi s SER 50 N 1.62 -0.64 0.09 3.58 1.04 -0.80 -0.24 113.70 118.35 2qzi s SER 50 Ca -0.00 0.70 0.08 0.00 0.48 0.00 0.00 55.95 57.21 2qzi s SER 50 Cb -0.13 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2qzi s SER 50 CO -0.04 -0.60 -0.19 0.21 0.98 0.00 0.00 173.24 173.61 2qzi s ASN 51 N -1.17 3.77 0.01 7.02 3.84 -1.26 -1.32 114.94 125.83 2qzi s ASN 51 Ca -0.11 -0.53 -0.06 0.00 0.21 0.00 0.00 52.86 52.38 2qzi s ASN 51 Cb -0.00 -0.53 -0.03 0.00 -0.55 0.00 0.00 41.25 40.14 2qzi s ASN 51 CO 0.10 0.21 0.97 0.50 -2.79 0.00 0.00 177.10 176.08 2qzi h LYS 52 N 4.11 -0.19 0.26 0.43 3.11 -1.98 -3.38 116.57 118.92 2qzi h LYS 52 Ca -0.49 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.36 2qzi h LYS 52 Cb 1.16 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2qzi h LYS 52 CO 0.46 -0.13 -0.25 0.45 -2.81 0.00 0.00 179.45 177.16 2qzi h HIS 53 N -0.22 -0.71 -4.34 1.91 3.86 -1.98 -3.48 115.15 110.20 2qzi h HIS 53 Ca -0.02 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.79 2qzi h HIS 53 Cb 0.15 0.27 -0.09 0.00 1.06 0.00 0.00 27.41 28.80 2qzi h HIS 53 CO 0.17 -0.34 -0.35 2.89 0.86 0.00 0.00 177.93 181.16 2qzi n ARG 54 N -3.89 0.56 -2.18 2.45 0.00 -1.26 -5.15 116.66 107.19 2qzi n ARG 54 Ca -0.06 -2.57 -0.33 0.00 -0.00 0.00 0.00 57.85 54.89 2qzi n ARG 54 Cb 0.23 1.61 -0.00 0.00 -0.00 0.00 0.00 32.46 34.30 2qzi n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qzi s ALA 55 N -2.89 2.78 0.02 2.89 0.00 -1.26 -4.08 121.76 119.22 2qzi s ALA 55 Ca 0.20 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 2qzi s ALA 55 Cb 0.01 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2qzi s ALA 55 CO 0.14 -0.67 0.43 0.54 0.00 0.00 0.00 175.76 176.20 2qzi s VAL 56 N -2.33 5.00 0.22 0.00 0.11 -1.26 -4.96 120.40 117.17 2qzi s VAL 56 Ca 0.65 0.86 0.01 0.00 -2.93 0.00 0.00 61.98 60.56 2qzi s VAL 56 Cb -0.16 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2qzi s VAL 56 CO 0.32 0.55 0.38 -0.75 -3.33 0.00 0.00 175.10 172.28 2qzi s LYS 57 N -1.16 3.48 0.00 1.54 2.47 -1.26 -4.94 119.74 119.88 2qzi s LYS 57 Ca 0.25 -0.48 -0.03 0.00 -1.56 0.00 0.00 55.97 54.15 2qzi s LYS 57 Cb -0.17 -2.85 -0.15 0.00 -1.46 0.00 0.00 37.83 33.20 2qzi s LYS 57 CO 0.14 0.40 2.43 -0.25 0.16 0.00 0.00 175.35 178.23 2qzi n ASP 58 N -0.93 3.80 0.00 1.43 10.43 -1.26 -0.53 116.55 129.49 2qzi n ASP 58 Ca -0.06 -2.16 0.00 0.00 2.57 0.00 0.00 54.79 55.14 2qzi n ASP 58 Cb 0.55 -0.97 0.00 0.00 1.84 0.00 0.00 41.12 42.54 2qzi n ASP 58 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2qzi n ASN 59 N 2.39 0.00 0.17 -2.24 6.94 -1.26 -4.71 115.26 116.54 2qzi n ASN 59 Ca 0.23 0.00 0.04 0.00 -0.02 0.00 0.00 54.58 54.84 2qzi n ASN 59 Cb 0.59 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 38.48 2qzi n ASN 59 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2qzi h GLU 60 N 0.00 0.14 0.31 -3.83 4.81 -1.88 -3.25 114.58 110.88 2qzi h GLU 60 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2qzi h GLU 60 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2qzi h GLU 60 CO 0.00 0.24 -0.15 1.25 -0.73 0.00 0.00 179.01 179.62 2qzi h LEU 61 N 0.14 -0.37 0.00 1.64 6.46 -1.10 -3.18 115.31 118.91 2qzi h LEU 61 Ca 0.03 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2qzi h LEU 61 Cb 0.25 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2qzi h LEU 61 CO 0.01 -0.25 0.14 1.21 -0.62 0.00 0.00 178.44 178.92 2qzi n GLU 62 N -3.15 0.00 -0.00 1.25 2.13 -1.23 -0.41 120.64 119.23 2qzi n GLU 62 Ca -0.05 0.21 0.05 0.00 0.66 0.00 0.00 57.16 58.03 2qzi n GLU 62 Cb 0.17 -1.64 -0.08 0.00 0.27 0.00 0.00 31.44 30.16 2qzi n GLU 62 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2qzi n VAL 63 N -1.15 0.00 0.08 6.31 0.31 -1.23 -3.51 118.33 119.15 2qzi n VAL 63 Ca 0.00 -0.24 -0.22 0.00 -0.01 0.00 0.00 64.34 63.87 2qzi n VAL 63 Cb 0.14 0.38 -0.15 0.00 -0.91 0.00 0.00 33.84 33.30 2qzi n VAL 63 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qzi h ILE 64 N 0.00 1.44 0.00 2.52 2.04 -0.71 -3.11 117.51 119.69 2qzi h ILE 64 Ca 0.00 -2.59 -0.03 0.00 1.00 0.00 0.00 64.86 63.24 2qzi h ILE 64 Cb 0.44 3.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2qzi h ILE 64 CO 0.00 0.75 -0.15 -0.09 0.00 0.00 0.00 178.15 178.66 2qzi h ARG 65 N -0.21 0.00 0.09 2.37 2.43 -1.54 -2.86 114.38 114.66 2qzi h ARG 65 Ca -0.18 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.71 2qzi h ARG 65 Cb 1.81 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.38 2qzi h ARG 65 CO 0.19 0.15 -1.17 1.49 -1.51 0.00 0.00 179.97 179.12 2qzi h GLU 66 N 0.00 0.54 0.06 0.20 4.81 -1.66 -3.29 114.58 115.24 2qzi h GLU 66 Ca -0.00 -0.69 0.02 0.00 -0.13 0.00 0.00 59.36 58.56 2qzi h GLU 66 Cb 0.40 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2qzi h GLU 66 CO 0.02 1.30 -0.25 0.35 -0.73 0.00 0.00 179.01 179.70 2qzi h PHE 67 N 0.25 -0.66 -0.43 0.92 3.57 -1.43 -0.68 116.94 118.48 2qzi h PHE 67 Ca -0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.29 2qzi h PHE 67 Cb 1.84 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.84 2qzi h PHE 67 CO 0.09 -0.34 -0.05 0.74 -2.23 0.00 0.00 178.31 176.52 2qzi h PHE 68 N -0.42 0.79 -0.82 0.41 0.04 -1.69 0.84 116.94 116.10 2qzi h PHE 68 Ca 0.04 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 2qzi h PHE 68 Cb 0.47 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 2qzi h PHE 68 CO -0.25 0.77 0.36 -0.07 -0.60 0.00 0.00 178.31 178.52 2qzi h LEU 69 N 0.68 1.10 0.43 1.54 3.38 -1.61 1.62 115.31 122.45 2qzi h LEU 69 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2qzi h LEU 69 Cb 0.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qzi h LEU 69 CO 0.03 0.94 -0.21 0.11 0.09 0.00 0.00 178.44 179.40 2qzi h LYS 70 N 1.18 -0.56 0.00 1.13 1.79 -0.27 -3.41 116.57 116.43 2qzi h LYS 70 Ca 0.28 0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.68 2qzi h LYS 70 Cb 0.17 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 2qzi h LYS 70 CO -0.03 -0.25 -1.04 0.54 -1.08 0.00 0.00 179.45 177.59 2qzi n ARG 71 N -5.21 0.51 -0.20 3.15 5.12 0.21 -4.87 116.66 115.38 2qzi n ARG 71 Ca -0.10 0.43 0.04 0.00 -1.93 0.00 0.00 57.85 56.29 2qzi n ARG 71 Cb 0.29 -1.62 0.06 0.00 -1.16 0.00 0.00 32.46 30.04 2qzi n ARG 71 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2qzi n LYS 72 N -4.50 0.94 -3.33 5.56 2.85 -0.57 -4.90 118.16 114.22 2qzi n LYS 72 Ca -0.20 -1.71 -0.44 0.00 -1.05 0.00 0.00 58.31 54.91 2qzi n LYS 72 Cb 0.49 -1.00 -0.08 0.00 -0.65 0.00 0.00 35.03 33.79 2qzi n LYS 72 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2qzi s ILE 73 N -1.39 5.12 -0.77 0.58 1.01 0.54 -4.96 121.20 121.32 2qzi s ILE 73 Ca 0.14 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.84 2qzi s ILE 73 Cb 0.12 -4.11 -0.17 0.00 0.01 0.00 0.00 42.46 38.32 2qzi s ILE 73 CO 0.01 -0.55 2.49 -0.67 0.00 0.00 0.00 174.94 176.23 2qzi n ASP 74 N 5.51 1.07 -1.82 3.58 -0.08 -1.26 -4.71 116.55 118.84 2qzi n ASP 74 Ca -0.10 -0.38 -0.15 0.00 -1.51 0.00 0.00 54.79 52.65 2qzi n ASP 74 Cb 0.46 -1.23 0.13 0.00 2.34 0.00 0.00 41.12 42.81 2qzi n ASP 74 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2qzi n LYS 75 N 8.40 1.90 0.03 -0.67 5.02 -1.26 -3.38 118.16 128.19 2qzi n LYS 75 Ca 0.53 -2.03 0.11 0.00 -2.02 0.00 0.00 58.31 54.90 2qzi n LYS 75 Cb 0.29 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 2qzi n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qzi n ASP 76 N -0.58 0.47 -0.00 4.39 8.00 -1.26 -4.53 116.55 123.04 2qzi n ASP 76 Ca 0.40 -0.04 0.01 0.00 0.71 0.00 0.00 54.79 55.86 2qzi n ASP 76 Cb 1.28 1.16 -0.01 0.00 -0.02 0.00 0.00 41.12 43.53 2qzi n ASP 76 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2qzi n ILE 77 N -2.23 0.00 -3.29 0.53 -5.35 -1.22 -4.94 119.36 102.87 2qzi n ILE 77 Ca -0.01 -0.45 -0.39 0.00 -0.27 0.00 0.00 62.75 61.64 2qzi n ILE 77 Cb 0.51 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 39.35 2qzi n ILE 77 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qzi s VAL 78 N -1.21 4.87 0.53 7.28 0.11 -1.24 0.89 120.40 131.62 2qzi s VAL 78 Ca 0.01 1.15 -0.06 0.00 -2.93 0.00 0.00 61.98 60.15 2qzi s VAL 78 Cb 0.02 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2qzi s VAL 78 CO 0.10 0.50 0.85 -0.76 -3.33 0.00 0.00 175.10 172.46 2qzi s LEU 79 N -0.68 3.49 0.00 2.54 2.01 -0.68 -4.94 118.68 120.41 2qzi s LEU 79 Ca 0.29 0.99 0.00 0.00 0.01 0.00 0.00 54.13 55.42 2qzi s LEU 79 Cb -0.18 -3.95 0.00 0.00 0.01 0.00 0.00 46.19 42.07 2qzi s LEU 79 CO 0.17 -0.71 0.00 -0.90 1.01 0.00 0.00 176.35 175.92 2qzi n ASP 81 N -2.41 0.00 -0.10 2.29 3.85 -1.26 -3.60 116.55 115.33 2qzi n ASP 81 Ca 0.02 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.12 2qzi n ASP 81 Cb 0.55 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.35 2qzi n ASP 81 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2qzi n LYS 82 N 0.00 1.33 -1.99 0.11 4.76 -1.26 -5.07 118.16 116.04 2qzi n LYS 82 Ca 0.00 -1.40 -0.38 0.00 -2.87 0.00 0.00 58.31 53.66 2qzi n LYS 82 Cb 0.00 -0.90 0.02 0.00 -1.84 0.00 0.00 35.03 32.31 2qzi n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qzi s LEU 83 N -1.00 3.90 -0.03 -0.35 1.43 -1.24 -4.57 118.68 116.83 2qzi s LEU 83 Ca 0.07 2.56 -0.01 0.00 -1.03 0.00 0.00 54.13 55.72 2qzi s LEU 83 Cb 0.06 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 42.03 2qzi s LEU 83 CO 0.01 -1.31 0.04 -0.60 0.23 0.00 0.00 176.35 174.72 2qzi s ARG 84 N -2.85 -0.04 -0.12 1.70 3.52 -0.81 -4.99 118.95 115.35 2qzi s ARG 84 Ca 0.69 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 56.56 2qzi s ARG 84 Cb -0.35 -0.31 0.01 0.00 -1.56 0.00 0.00 34.95 32.74 2qzi s ARG 84 CO 0.42 -0.21 -0.20 0.99 -0.81 0.00 0.00 175.30 175.49 2qzi s THR 85 N 1.37 1.83 -0.32 4.11 2.01 -1.26 -0.20 115.64 123.18 2qzi s THR 85 Ca -0.05 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 2qzi s THR 85 Cb -0.13 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.80 2qzi s THR 85 CO -0.03 0.51 0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 2qzi s VAL 86 N 0.80 3.32 -0.25 3.82 1.01 -0.08 -4.98 120.40 124.04 2qzi s VAL 86 Ca -0.09 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.43 2qzi s VAL 86 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2qzi s VAL 86 CO -0.00 -0.17 0.35 -2.28 0.00 0.00 0.00 175.10 173.00 2qzi s HIS 87 N 1.31 3.29 0.36 5.22 2.46 -1.26 -1.32 115.29 125.35 2qzi s HIS 87 Ca -0.03 0.44 0.04 0.00 0.47 0.00 0.00 55.06 55.97 2qzi s HIS 87 Cb -0.20 -2.51 -0.05 0.00 -0.13 0.00 0.00 32.58 29.69 2qzi s HIS 87 CO 0.00 -0.12 0.07 0.95 -2.47 0.00 0.00 174.74 173.17 2qzi s THR 88 N 1.69 1.11 0.24 0.89 -4.23 -0.49 -5.04 115.64 109.82 2qzi s THR 88 Ca 0.15 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2qzi s THR 88 Cb -0.15 -2.68 0.23 0.00 1.34 0.00 0.00 72.50 71.25 2qzi s THR 88 CO 0.09 0.00 1.91 0.44 -0.54 0.00 0.00 174.62 176.52 2qzi h ASP 89 N 1.98 1.10 0.65 3.99 5.19 -2.01 -3.12 116.42 124.19 2qzi h ASP 89 Ca -0.40 -0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 55.87 2qzi h ASP 89 Cb 1.25 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 2qzi h ASP 89 CO 0.68 0.81 -0.47 0.11 -3.12 0.00 0.00 179.24 177.25 2qzi h LYS 90 N 1.29 0.00 -1.47 3.56 1.57 -1.97 -3.42 116.57 116.12 2qzi h LYS 90 Ca 0.35 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.25 2qzi h LYS 90 Cb -0.13 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 31.92 2qzi h LYS 90 CO -0.07 0.47 0.34 -1.17 -0.57 0.00 0.00 179.45 178.45 2qzi s LEU 91 N -7.50 -0.54 -0.20 2.94 2.96 -1.18 -4.66 118.68 110.50 2qzi s LEU 91 Ca -0.01 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2qzi s LEU 91 Cb 0.12 1.75 0.01 0.00 0.50 0.00 0.00 46.19 48.58 2qzi s LEU 91 CO 0.72 -0.13 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.85 2qzi s ILE 92 N 1.54 2.58 -0.14 6.68 1.01 0.67 -1.40 121.20 132.14 2qzi s ILE 92 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2qzi s ILE 92 Cb -0.04 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2qzi s ILE 92 CO -0.15 0.49 -0.11 -1.61 0.00 0.00 0.00 174.94 173.55 2qzi s GLU 93 N 1.36 3.43 -0.19 2.79 2.02 -0.43 -1.30 118.70 126.38 2qzi s GLU 93 Ca 0.05 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 2qzi s GLU 93 Cb -0.14 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2qzi s GLU 93 CO -0.09 0.20 -0.13 0.42 0.02 0.00 0.00 175.26 175.68 2qzi s ILE 94 N 0.39 2.71 -0.14 -1.63 1.01 0.31 -0.91 121.20 122.94 2qzi s ILE 94 Ca -0.09 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 2qzi s ILE 94 Cb -0.16 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2qzi s ILE 94 CO 0.05 0.49 0.14 -0.44 0.00 0.00 0.00 174.94 175.17 2qzi s SER 95 N 1.24 6.33 -0.43 3.58 0.01 0.72 -1.63 113.70 123.52 2qzi s SER 95 Ca 0.03 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.71 2qzi s SER 95 Cb -0.14 -2.07 0.12 0.00 0.21 0.00 0.00 66.02 64.13 2qzi s SER 95 CO -0.06 0.34 0.17 -0.36 0.41 0.00 0.00 173.24 173.74 2qzi s PHE 96 N -0.62 3.53 0.76 2.43 0.08 -0.56 -1.93 117.98 121.68 2qzi s PHE 96 Ca 0.13 -2.96 -0.14 0.00 0.12 0.00 0.00 56.93 54.08 2qzi s PHE 96 Cb -0.12 -2.96 0.06 0.00 -0.57 0.00 0.00 43.02 39.43 2qzi s PHE 96 CO 0.02 -0.88 1.20 -2.14 -0.10 0.00 0.00 175.22 173.32 2qzi s PRO 97 N 0.48 1.94 0.02 0.24 0.02 -1.26 -1.36 135.00 135.07 2qzi s PRO 97 Ca 0.13 1.73 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 2qzi s PRO 97 Cb -0.22 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 2qzi s PRO 97 CO -0.05 -1.98 0.00 0.99 -0.33 0.00 0.00 177.00 175.63 2qzi s THR 98 N -2.09 0.10 0.21 0.99 2.01 -1.03 -1.69 115.64 114.13 2qzi s THR 98 Ca 0.73 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 2qzi s THR 98 Cb -0.28 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2qzi s THR 98 CO 0.48 -0.47 1.60 0.71 -0.69 0.00 0.00 174.62 176.24 2qzi h THR 99 N 4.58 1.28 0.00 -0.82 1.35 0.17 -3.44 112.91 116.04 2qzi h THR 99 Ca -0.32 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 2qzi h THR 99 Cb 1.21 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2qzi h THR 99 CO 0.41 0.47 0.00 0.55 -0.25 0.00 0.00 175.52 176.70