#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzi n LYS 2 N 0.00 0.00 -2.36 0.00 2.85 -1.26 -5.13 118.16 112.26 2qzi n LYS 2 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2qzi n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2qzi n LYS 2 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2qzi s LEU 3 N 0.00 4.26 -0.07 -5.58 2.96 -1.26 -4.38 118.68 114.60 2qzi s LEU 3 Ca 0.00 1.88 0.03 0.00 -0.22 0.00 0.00 54.13 55.82 2qzi s LEU 3 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2qzi s LEU 3 CO 0.00 -0.69 -0.16 0.27 -1.32 0.00 0.00 176.35 174.45 2qzi s ILE 4 N 2.77 2.91 -0.09 6.68 -4.36 0.60 -4.94 121.20 124.76 2qzi s ILE 4 Ca 0.59 -0.76 -0.30 0.00 -0.26 0.00 0.00 60.65 59.92 2qzi s ILE 4 Cb -0.26 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 2qzi s ILE 4 CO 0.21 0.57 1.15 0.21 0.24 0.00 0.00 174.94 177.32 2qzi s ASN 5 N -0.36 7.09 -0.04 4.36 3.84 -1.26 -1.25 114.94 127.33 2qzi s ASN 5 Ca 0.03 1.71 0.08 0.00 0.21 0.00 0.00 52.86 54.89 2qzi s ASN 5 Cb -0.12 -2.55 0.22 0.00 -0.55 0.00 0.00 41.25 38.24 2qzi s ASN 5 CO 0.02 -0.57 1.17 0.35 -2.79 0.00 0.00 177.10 175.28 2qzi n THR 6 N 4.71 1.26 -0.32 -5.21 -2.24 0.14 -4.78 114.28 107.84 2qzi n THR 6 Ca 0.11 -1.25 0.07 0.00 -2.27 0.00 0.00 64.05 60.71 2qzi n THR 6 Cb 0.47 0.33 0.23 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.03 0.83 0.00 4.28 2.02 -1.83 -1.58 112.91 117.64 2qzi h THR 7 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2qzi h THR 7 Cb 0.76 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2qzi h THR 7 CO 0.03 0.15 0.00 -2.67 0.37 0.00 0.00 175.52 173.39 2qzi n TRP 8 N -4.75 0.53 -0.39 3.16 4.27 -1.26 -1.44 117.44 117.55 2qzi n TRP 8 Ca 0.18 0.22 0.05 0.00 -3.89 0.00 0.00 57.50 54.05 2qzi n TRP 8 Cb 0.39 -0.85 0.10 0.00 -1.36 0.00 0.00 31.31 29.60 2qzi n TRP 8 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 2qzi n THR 9 N -1.99 1.35 -2.47 -1.67 -2.24 -0.60 -4.52 114.28 102.14 2qzi n THR 9 Ca 0.02 -1.37 -0.18 0.00 -2.27 0.00 0.00 64.05 60.25 2qzi n THR 9 Cb 0.18 0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2qzi n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qzi n HIS 10 N -0.41 2.43 0.11 4.78 8.25 -0.52 -4.88 115.22 124.97 2qzi n HIS 10 Ca 0.09 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 54.86 2qzi n HIS 10 Cb 0.46 -0.23 0.31 0.00 1.12 0.00 0.00 29.99 31.65 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 2.59 0.22 0.35 -0.41 1.08 -1.79 -0.64 115.11 116.50 2qzi h GLN 11 Ca 0.16 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2qzi h GLN 11 Cb 1.17 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2qzi h GLN 11 CO 0.65 0.48 -0.17 1.49 -0.95 0.00 0.00 178.83 180.34 2qzi h GLU 12 N 0.20 -0.45 -0.43 1.46 4.81 -1.94 -1.39 114.58 116.84 2qzi h GLU 12 Ca 0.03 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2qzi h GLU 12 Cb 0.59 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2qzi h GLU 12 CO 0.04 -0.18 0.24 1.25 -0.73 0.00 0.00 179.01 179.64 2qzi h LEU 13 N -0.67 0.39 -0.02 1.64 5.85 -1.94 -0.79 115.31 119.75 2qzi h LEU 13 Ca -0.05 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2qzi h LEU 13 Cb 0.47 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2qzi h LEU 13 CO 0.08 0.28 -0.05 0.58 -0.34 0.00 0.00 178.44 178.98 2qzi h VAL 14 N 0.49 0.86 -0.32 1.05 2.07 -1.02 -1.90 116.25 117.49 2qzi h VAL 14 Ca 0.17 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.58 2qzi h VAL 14 Cb 0.03 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2qzi h VAL 14 CO -0.09 0.00 -0.28 0.78 0.02 0.00 0.00 177.57 178.00 2qzi h ASN 15 N -0.08 0.68 -0.91 0.57 2.35 -1.22 -0.91 115.58 116.07 2qzi h ASN 15 Ca 0.03 -0.26 0.08 0.00 -0.55 0.00 0.00 56.30 55.60 2qzi h ASN 15 Cb 0.12 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.23 2qzi h ASN 15 CO -0.07 0.93 0.56 -1.13 -1.65 0.00 0.00 177.43 176.07 2qzi h ASN 16 N 0.57 0.87 -0.19 5.81 -0.73 -0.94 0.21 115.58 121.18 2qzi h ASN 16 Ca 0.07 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.17 2qzi h ASN 16 Cb 0.77 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.21 2qzi h ASN 16 CO 0.06 0.53 -0.27 1.56 -0.37 0.00 0.00 177.43 178.94 2qzi h GLN 17 N 0.99 0.53 -0.34 6.67 1.08 -1.11 -2.61 115.11 120.32 2qzi h GLN 17 Ca 0.41 -0.31 -0.13 0.00 -1.45 0.00 0.00 58.65 57.17 2qzi h GLN 17 Cb 0.26 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2qzi h GLN 17 CO -0.20 0.91 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.18 2qzi h LEU 18 N 0.19 0.78 -1.20 1.46 3.38 -0.99 -1.64 115.31 117.28 2qzi h LEU 18 Ca 0.02 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 2qzi h LEU 18 Cb 0.85 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2qzi h LEU 18 CO 0.06 1.04 -0.26 0.44 0.09 0.00 0.00 178.44 179.81 2qzi h ASP 19 N 0.62 0.00 0.00 -0.43 5.19 -0.62 -3.37 116.42 117.82 2qzi h ASP 19 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2qzi h ASP 19 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2qzi h ASP 19 CO 0.07 0.26 0.00 0.59 -3.12 0.00 0.00 179.24 177.05 2qzi n ASN 20 N -3.52 0.69 -3.40 6.45 4.13 -0.99 -5.05 115.26 113.58 2qzi n ASN 20 Ca -0.00 -0.93 -0.21 0.00 1.68 0.00 0.00 54.58 55.12 2qzi n ASN 20 Cb 0.42 0.09 -0.07 0.00 -1.54 0.00 0.00 39.78 38.68 2qzi n ASN 20 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2qzi n THR 21 N -0.09 0.00 1.27 3.41 -2.24 -0.64 -5.04 114.28 110.95 2qzi n THR 21 Ca 0.00 -2.23 0.13 0.00 -2.27 0.00 0.00 64.05 59.68 2qzi n THR 21 Cb 0.05 0.95 0.67 0.00 -2.10 0.00 0.00 70.33 69.89 2qzi n THR 21 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qzi n ASP 22 N -1.67 0.00 -4.74 3.42 5.75 -1.26 -4.79 116.55 113.26 2qzi n ASP 22 Ca 0.00 -0.16 -0.42 0.00 -0.01 0.00 0.00 54.79 54.21 2qzi n ASP 22 Cb 0.56 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 2qzi n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qzi s ALA 23 N -2.51 3.70 -0.95 2.12 0.00 -1.26 -4.19 121.76 118.67 2qzi s ALA 23 Ca 0.26 1.39 0.09 0.00 0.00 0.00 0.00 51.96 53.70 2qzi s ALA 23 Cb 0.17 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.73 2qzi s ALA 23 CO 0.39 -0.80 0.67 1.97 0.00 0.00 0.00 175.76 177.98 2qzi n PHE 24 N 2.83 0.00 -3.86 0.00 -1.74 0.12 -4.50 117.46 110.31 2qzi n PHE 24 Ca 0.09 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.81 2qzi n PHE 24 Cb 0.39 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.23 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 -1.20 0.97 -0.05 5.98 0.20 -1.06 -5.01 118.68 118.51 2qzi s LEU 25 Ca 0.09 -0.01 -0.02 0.00 0.69 0.00 0.00 54.13 54.88 2qzi s LEU 25 Cb 0.07 -0.21 0.03 0.00 -0.43 0.00 0.00 46.19 45.66 2qzi s LEU 25 CO 0.17 -0.13 0.06 -0.69 -0.29 0.00 0.00 176.35 175.47 2qzi s VAL 26 N 1.26 -0.10 0.05 1.68 1.01 -1.26 -1.63 120.40 121.41 2qzi s VAL 26 Ca -0.06 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.34 2qzi s VAL 26 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2qzi s VAL 26 CO -0.02 0.14 -0.13 -1.61 0.00 0.00 0.00 175.10 173.48 2qzi s GLU 27 N 2.16 0.79 0.09 2.72 2.02 0.05 -4.93 118.70 121.60 2qzi s GLU 27 Ca 0.05 -0.81 0.09 0.00 0.02 0.00 0.00 54.97 54.32 2qzi s GLU 27 Cb -0.12 -0.76 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 2qzi s GLU 27 CO -0.04 0.18 -0.24 0.95 0.02 0.00 0.00 175.26 176.13 2qzi s THR 28 N -1.08 1.98 0.16 3.63 -4.23 -1.26 -0.60 115.64 114.24 2qzi s THR 28 Ca -0.02 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2qzi s THR 28 Cb -0.09 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 2qzi s THR 28 CO 0.01 0.12 0.06 -0.31 -0.54 0.00 0.00 174.62 173.96 2qzi s TYR 29 N -1.00 1.02 -0.01 3.99 2.02 0.14 0.27 117.35 123.77 2qzi s TYR 29 Ca 0.10 -1.21 0.01 0.00 -0.37 0.00 0.00 57.07 55.60 2qzi s TYR 29 Cb -0.10 -0.56 0.01 0.00 -0.40 0.00 0.00 41.96 40.91 2qzi s TYR 29 CO 0.04 -0.47 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.42 2qzi s SER 30 N -3.11 0.33 -0.42 2.29 0.01 -0.38 -0.51 113.70 111.91 2qzi s SER 30 Ca 0.27 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.53 2qzi s SER 30 Cb 0.07 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.32 2qzi s SER 30 CO 0.04 -0.01 0.16 0.00 0.41 0.00 0.00 173.24 173.84 2qzi s ALA 31 N 0.31 2.78 0.00 1.44 0.00 -0.46 -0.29 121.76 125.54 2qzi s ALA 31 Ca -0.03 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.21 2qzi s ALA 31 Cb -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2qzi s ALA 31 CO -0.01 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.29 2qzi n GLY 32 N 3.78 3.35 0.30 0.00 0.00 -1.26 -1.32 105.19 110.04 2qzi n GLY 32 Ca 0.04 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 5.09 0.91 -4.72 1.61 0.23 -1.26 -4.84 115.26 112.29 2qzi n ASN 33 Ca 0.00 -1.66 -0.41 0.00 -0.53 0.00 0.00 54.58 51.97 2qzi n ASN 33 Cb 0.00 -0.07 -0.04 0.00 -2.08 0.00 0.00 39.78 37.59 2qzi n ASN 33 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qzi s THR 34 N -1.86 4.85 -0.04 5.53 2.01 -0.43 -4.48 115.64 121.22 2qzi s THR 34 Ca 0.26 1.88 -0.02 0.00 0.31 0.00 0.00 61.69 64.12 2qzi s THR 34 Cb 0.13 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2qzi s THR 34 CO 0.21 0.22 0.09 -1.81 -0.69 0.00 0.00 174.62 172.63 2qzi s ASP 35 N 0.74 5.80 -0.07 3.53 1.01 0.12 -1.35 116.67 126.46 2qzi s ASP 35 Ca 0.47 0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.98 2qzi s ASP 35 Cb -0.20 -1.72 0.01 0.00 1.01 0.00 0.00 42.92 42.01 2qzi s ASP 35 CO 0.25 0.31 -0.14 -0.69 0.21 0.00 0.00 175.17 175.12 2qzi s VAL 36 N -1.12 1.24 -0.14 -1.27 1.01 0.33 -1.49 120.40 118.96 2qzi s VAL 36 Ca 0.20 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2qzi s VAL 36 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2qzi s VAL 36 CO 0.11 0.38 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 2qzi s VAL 37 N 0.57 2.96 -0.12 2.92 1.01 -0.40 -0.69 120.40 126.65 2qzi s VAL 37 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2qzi s VAL 37 Cb -0.16 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2qzi s VAL 37 CO 0.04 0.52 -0.15 0.12 0.00 0.00 0.00 175.10 175.64 2qzi s PHE 38 N 0.46 2.77 0.06 5.22 5.36 0.23 -0.40 117.98 131.69 2qzi s PHE 38 Ca -0.10 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.22 2qzi s PHE 38 Cb -0.16 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 2qzi s PHE 38 CO 0.05 -0.24 -0.13 0.95 -1.46 0.00 0.00 175.22 174.39 2qzi s THR 39 N 0.34 0.98 -0.06 0.12 -4.23 0.08 -0.77 115.64 112.09 2qzi s THR 39 Ca -0.12 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 2qzi s THR 39 Cb -0.16 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 2qzi s THR 39 CO 0.06 -0.26 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.06 2qzi s GLN 40 N -1.71 2.49 0.16 3.99 0.74 -0.65 -0.80 119.66 123.88 2qzi s GLN 40 Ca -0.04 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.51 2qzi s GLN 40 Cb -0.10 -2.09 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 2qzi s GLN 40 CO 0.02 0.35 0.04 0.00 -0.55 0.00 0.00 175.29 175.15 2qzi s ALA 41 N -0.10 1.14 0.13 1.58 0.00 -0.46 0.14 121.76 124.19 2qzi s ALA 41 Ca -0.05 -1.56 -0.34 0.00 0.00 0.00 0.00 51.96 50.01 2qzi s ALA 41 Cb -0.14 0.78 -0.13 0.00 0.00 0.00 0.00 23.12 23.63 2qzi s ALA 41 CO 0.04 -0.42 1.65 -2.30 0.00 0.00 0.00 175.76 174.73 2qzi n PRO 42 N -0.19 2.25 0.00 0.00 -0.02 -1.26 -2.66 135.00 133.12 2qzi n PRO 42 Ca -0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2qzi n PRO 42 Cb 0.64 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2qzi n PRO 42 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qzi n LYS 43 N 4.06 0.00 -3.60 -0.52 4.76 -0.89 -4.99 118.16 116.98 2qzi n LYS 43 Ca 0.18 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.51 2qzi n LYS 43 Cb 0.30 -0.87 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 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 -2.57 -0.47 0.27 2.13 -3.43 -1.09 -1.13 115.29 109.01 2qzi s HIS 44 Ca 0.00 0.99 -0.02 0.00 -0.80 0.00 0.00 55.06 55.23 2qzi s HIS 44 Cb 0.00 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 2qzi s HIS 44 CO 0.00 -0.32 0.50 0.71 -2.00 0.00 0.00 174.74 173.63 2qzi s TYR 45 N -0.43 3.48 -0.01 0.38 2.02 -0.06 -1.36 117.35 121.37 2qzi s TYR 45 Ca -0.00 0.49 0.03 0.00 -0.37 0.00 0.00 57.07 57.21 2qzi s TYR 45 Cb -0.03 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 2qzi s TYR 45 CO -0.01 0.23 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.91 2qzi s GLU 46 N -3.63 0.68 -0.11 -0.62 0.41 0.02 -0.86 118.70 114.59 2qzi s GLU 46 Ca 0.41 -0.29 0.03 0.00 -0.41 0.00 0.00 54.97 54.71 2qzi s GLU 46 Cb -0.11 -0.66 -0.00 0.00 -1.78 0.00 0.00 34.13 31.58 2qzi s GLU 46 CO 0.31 0.17 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.54 2qzi s LEU 47 N -0.17 2.30 -0.18 1.80 1.43 -0.44 -0.74 118.68 122.67 2qzi s LEU 47 Ca 0.03 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2qzi s LEU 47 Cb -0.03 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2qzi s LEU 47 CO -0.00 0.16 -0.16 -0.76 0.23 0.00 0.00 176.35 175.82 2qzi s LEU 48 N 0.35 2.37 -0.11 1.79 2.01 0.46 -1.18 118.68 124.37 2qzi s LEU 48 Ca -0.16 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.43 2qzi s LEU 48 Cb -0.17 -1.55 0.02 0.00 0.01 0.00 0.00 46.19 44.50 2qzi s LEU 48 CO 0.08 0.02 -0.10 -0.63 1.01 0.00 0.00 176.35 176.73 2qzi s ILE 49 N 1.18 1.17 0.07 -0.59 1.01 -0.12 -1.28 121.20 122.66 2qzi s ILE 49 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2qzi s ILE 49 Cb -0.14 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 2qzi s ILE 49 CO -0.07 0.39 0.10 -0.94 0.00 0.00 0.00 174.94 174.42 2qzi s SER 50 N 1.51 0.27 -0.15 3.58 1.04 -0.56 0.40 113.70 119.79 2qzi s SER 50 Ca 0.02 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.60 2qzi s SER 50 Cb -0.13 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.34 2qzi s SER 50 CO -0.07 -0.67 0.32 0.21 0.98 0.00 0.00 173.24 174.01 2qzi s ASN 51 N -2.88 -0.10 0.50 7.02 3.84 -0.70 0.14 114.94 122.76 2qzi s ASN 51 Ca 0.06 0.72 0.29 0.00 0.21 0.00 0.00 52.86 54.14 2qzi s ASN 51 Cb 0.06 0.78 0.93 0.00 -0.55 0.00 0.00 41.25 42.46 2qzi s ASN 51 CO -0.11 -0.21 1.82 0.11 -2.79 0.00 0.00 177.10 175.93 2qzi h LYS 52 N 7.76 0.00 0.00 0.43 1.57 -1.86 -3.34 116.57 121.13 2qzi h LYS 52 Ca -0.26 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.29 2qzi h LYS 52 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 2qzi h LYS 52 CO 0.22 0.01 -2.07 0.72 -0.57 0.00 0.00 179.45 177.76 2qzi n HIS 53 N -3.10 0.00 -3.79 -1.35 8.25 -1.26 -5.05 115.22 108.92 2qzi n HIS 53 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 2qzi n HIS 53 Cb 0.40 -0.73 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 2qzi n HIS 53 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2qzi s ARG 54 N -2.59 1.71 0.37 -0.41 1.70 -1.25 -5.14 118.95 113.33 2qzi s ARG 54 Ca -0.08 -0.91 -0.28 0.00 -0.47 0.00 0.00 55.73 53.99 2qzi s ARG 54 Cb 0.06 0.61 -0.11 0.00 -0.57 0.00 0.00 34.95 34.94 2qzi s ARG 54 CO 0.70 -0.78 1.44 0.00 -1.08 0.00 0.00 175.30 175.58 2qzi n ALA 55 N -0.45 2.14 -1.96 7.88 0.00 -1.26 -4.49 120.51 122.37 2qzi n ALA 55 Ca -0.06 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 2qzi n ALA 55 Cb 0.60 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 2qzi n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qzi s VAL 56 N -1.11 2.72 0.57 0.00 1.01 -0.42 -4.99 120.40 118.17 2qzi s VAL 56 Ca 0.54 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.94 2qzi s VAL 56 Cb -0.50 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2qzi s VAL 56 CO 0.63 0.05 0.95 -0.54 0.00 0.00 0.00 175.10 176.19 2qzi s LYS 57 N 0.98 3.60 0.25 2.72 1.02 -1.26 -4.95 119.74 122.10 2qzi s LYS 57 Ca 0.68 0.59 -0.06 0.00 0.02 0.00 0.00 55.97 57.20 2qzi s LYS 57 Cb -0.43 -2.18 0.27 0.00 -0.52 0.00 0.00 37.83 34.98 2qzi s LYS 57 CO 0.32 -0.43 1.91 -0.44 -0.92 0.00 0.00 175.35 175.79 2qzi h ASP 58 N -0.06 1.08 -0.35 2.83 3.45 -2.00 -1.96 116.42 119.41 2qzi h ASP 58 Ca -0.45 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 56.88 2qzi h ASP 58 Cb 1.19 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 2qzi h ASP 58 CO 0.62 0.76 -0.15 -1.13 -1.57 0.00 0.00 179.24 177.77 2qzi h ASN 59 N 1.27 0.81 -0.09 6.45 -1.24 -1.99 -1.01 115.58 119.78 2qzi h ASN 59 Ca 0.37 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2qzi h ASN 59 Cb -0.08 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 38.74 2qzi h ASN 59 CO -0.10 0.97 0.03 -0.33 -1.29 0.00 0.00 177.43 176.72 2qzi h GLU 60 N 0.73 0.13 -0.31 6.67 5.08 -1.87 -2.01 114.58 122.99 2qzi h GLU 60 Ca 0.11 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2qzi h GLU 60 Cb 0.66 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 2qzi h GLU 60 CO 0.05 0.25 -0.40 1.25 -1.00 0.00 0.00 179.01 179.16 2qzi h LEU 61 N -0.02 -1.29 0.08 1.33 6.46 -1.16 -0.44 115.31 120.28 2qzi h LEU 61 Ca 0.03 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2qzi h LEU 61 Cb 0.17 0.56 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 2qzi h LEU 61 CO -0.00 -0.37 -0.34 -0.08 -0.62 0.00 0.00 178.44 177.03 2qzi h GLU 62 N -0.36 -0.52 -0.41 1.25 4.57 -1.16 0.15 114.58 118.09 2qzi h GLU 62 Ca 0.12 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2qzi h GLU 62 Cb 0.58 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2qzi h GLU 62 CO -0.50 -0.35 0.27 0.28 -1.18 0.00 0.00 179.01 177.53 2qzi h VAL 63 N -0.54 1.11 -0.22 0.32 2.07 -1.32 -1.42 116.25 116.24 2qzi h VAL 63 Ca 0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2qzi h VAL 63 Cb 0.59 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2qzi h VAL 63 CO -0.22 0.11 0.08 0.40 0.02 0.00 0.00 177.57 177.95 2qzi h ILE 64 N 0.55 1.18 -0.40 4.57 2.04 -0.99 -2.24 117.51 122.22 2qzi h ILE 64 Ca 0.15 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2qzi h ILE 64 Cb -0.05 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2qzi h ILE 64 CO -0.03 0.18 0.09 -0.09 0.00 0.00 0.00 178.15 178.30 2qzi h ARG 65 N 0.19 0.65 -0.36 2.37 2.43 -0.59 -2.32 114.38 116.76 2qzi h ARG 65 Ca 0.07 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 2qzi h ARG 65 Cb 0.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2qzi h ARG 65 CO -0.00 0.68 -0.22 0.93 -1.51 0.00 0.00 179.97 179.85 2qzi h GLU 66 N 0.52 0.70 -0.43 0.20 3.07 -1.31 -1.35 114.58 115.97 2qzi h GLU 66 Ca 0.13 -0.27 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2qzi h GLU 66 Cb 0.33 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2qzi h GLU 66 CO 0.00 0.86 0.28 0.35 -1.40 0.00 0.00 179.01 179.10 2qzi h PHE 67 N 0.61 0.52 -0.46 4.33 3.57 -1.19 0.14 116.94 124.47 2qzi h PHE 67 Ca 0.09 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 2qzi h PHE 67 Cb 0.70 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2qzi h PHE 67 CO 0.03 0.32 -0.22 0.74 -2.23 0.00 0.00 178.31 176.95 2qzi h PHE 68 N 0.56 1.11 -0.35 0.41 0.04 -1.18 0.13 116.94 117.66 2qzi h PHE 68 Ca 0.16 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2qzi h PHE 68 Cb -0.04 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 2qzi h PHE 68 CO -0.05 1.09 0.01 -0.07 -0.60 0.00 0.00 178.31 178.69 2qzi h LEU 69 N 0.81 0.50 -0.04 1.54 3.38 -1.10 0.01 115.31 120.40 2qzi h LEU 69 Ca 0.10 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 2qzi h LEU 69 Cb 0.80 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2qzi h LEU 69 CO 0.07 0.56 -1.02 0.50 0.09 0.00 0.00 178.44 178.64 2qzi h LYS 70 N 0.51 0.08 0.00 1.13 3.64 -0.35 -3.41 116.57 118.18 2qzi h LYS 70 Ca 0.11 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qzi h LYS 70 Cb 0.31 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2qzi h LYS 70 CO 0.01 1.02 -1.02 0.54 -2.27 0.00 0.00 179.45 177.73 2qzi n ARG 71 N -3.45 2.21 -0.00 1.90 5.12 0.42 -4.85 116.66 118.00 2qzi n ARG 71 Ca -0.02 -0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.90 2qzi n ARG 71 Cb 0.93 -1.01 -0.02 0.00 -1.16 0.00 0.00 32.46 31.20 2qzi n ARG 71 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2qzi n LYS 72 N -1.79 0.71 -4.26 5.56 4.76 -0.06 -5.02 118.16 118.06 2qzi n LYS 72 Ca -0.00 -0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.08 2qzi n LYS 72 Cb 0.29 -1.06 -0.11 0.00 -1.84 0.00 0.00 35.03 32.31 2qzi n LYS 72 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qzi s ILE 73 N -2.15 4.30 -0.47 -0.18 1.01 -0.91 -5.04 121.20 117.75 2qzi s ILE 73 Ca -0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 2qzi s ILE 73 Cb 0.01 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.63 2qzi s ILE 73 CO 0.10 0.51 1.14 -0.62 0.00 0.00 0.00 174.94 176.07 2qzi s ASP 74 N 0.08 6.64 0.34 3.58 -1.08 -1.26 -4.87 116.67 120.10 2qzi s ASP 74 Ca 0.02 0.49 0.24 0.00 -0.52 0.00 0.00 52.55 52.78 2qzi s ASP 74 Cb -0.13 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.22 2qzi s ASP 74 CO 0.02 -1.25 1.59 0.11 0.52 0.00 0.00 175.17 176.16 2qzi h LYS 75 N 9.21 0.00 -0.62 4.34 1.57 -1.93 -2.23 116.57 126.92 2qzi h LYS 75 Ca -0.23 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2qzi h LYS 75 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 2qzi h LYS 75 CO 1.13 0.00 0.41 -0.44 -0.57 0.00 0.00 179.45 179.97 2qzi h ASP 76 N 0.00 0.54 0.00 0.86 3.45 -2.03 -3.17 116.42 116.08 2qzi h ASP 76 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qzi h ASP 76 Cb 0.92 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 2qzi h ASP 76 CO 0.00 0.36 -0.99 2.30 -1.57 0.00 0.00 179.24 179.33 2qzi n ILE 77 N -4.47 0.00 -2.85 0.35 -5.35 -0.88 -4.97 119.36 101.19 2qzi n ILE 77 Ca 0.09 -0.03 -0.40 0.00 -0.27 0.00 0.00 62.75 62.14 2qzi n ILE 77 Cb 0.22 0.97 -0.06 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.95 4.28 0.21 7.28 0.11 -0.96 -0.78 120.40 127.60 2qzi s VAL 78 Ca 0.07 1.91 0.05 0.00 -2.93 0.00 0.00 61.98 61.08 2qzi s VAL 78 Cb 0.15 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 2qzi s VAL 78 CO 0.84 0.48 0.24 -0.76 -3.33 0.00 0.00 175.10 172.57 2qzi s LEU 79 N -0.95 4.03 0.00 2.54 1.02 0.69 -4.89 118.68 121.12 2qzi s LEU 79 Ca 0.39 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.47 2qzi s LEU 79 Cb -0.24 -2.59 0.00 0.00 0.02 0.00 0.00 46.19 43.38 2qzi s LEU 79 CO 0.29 -0.01 0.00 0.47 0.02 0.00 0.00 176.35 177.12 2qzi n ASP 81 N -0.95 0.00 -0.55 2.29 8.00 -1.26 -3.76 116.55 120.32 2qzi n ASP 81 Ca -0.08 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.51 2qzi n ASP 81 Cb 0.56 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.87 2qzi n ASP 81 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qzi n LYS 82 N 0.00 2.28 -1.89 -1.24 5.02 -1.26 -5.04 118.16 116.03 2qzi n LYS 82 Ca 0.00 -2.70 -0.39 0.00 -2.02 0.00 0.00 58.31 53.20 2qzi n LYS 82 Cb 0.00 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.35 2qzi n LYS 82 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qzi s LEU 83 N -2.77 4.02 -0.04 -0.35 1.43 -1.25 -4.51 118.68 115.22 2qzi s LEU 83 Ca 0.37 2.75 -0.01 0.00 -1.03 0.00 0.00 54.13 56.21 2qzi s LEU 83 Cb 0.31 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.47 2qzi s LEU 83 CO 0.07 -1.24 0.02 -0.60 0.23 0.00 0.00 176.35 174.83 2qzi s ARG 84 N -2.61 0.20 -0.15 1.70 3.52 -0.74 -4.97 118.95 115.90 2qzi s ARG 84 Ca 0.64 0.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.45 2qzi s ARG 84 Cb -0.40 -0.54 0.01 0.00 -1.56 0.00 0.00 34.95 32.46 2qzi s ARG 84 CO 0.49 -0.22 -0.21 0.99 -0.81 0.00 0.00 175.30 175.54 2qzi s THR 85 N 1.51 2.01 -0.22 4.11 2.01 -1.26 -0.40 115.64 123.39 2qzi s THR 85 Ca -0.03 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 2qzi s THR 85 Cb -0.13 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 2qzi s THR 85 CO -0.03 0.54 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 2qzi s VAL 86 N 0.94 3.28 -0.17 3.82 1.01 0.52 -4.97 120.40 124.82 2qzi s VAL 86 Ca -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2qzi s VAL 86 Cb -0.15 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2qzi s VAL 86 CO -0.04 0.39 -0.07 -2.28 0.00 0.00 0.00 175.10 173.10 2qzi s HIS 87 N 1.45 2.94 0.37 5.22 2.46 -1.26 -1.41 115.29 125.06 2qzi s HIS 87 Ca 0.05 -0.63 0.04 0.00 0.47 0.00 0.00 55.06 55.00 2qzi s HIS 87 Cb -0.15 -1.98 -0.06 0.00 -0.13 0.00 0.00 32.58 30.26 2qzi s HIS 87 CO -0.04 -0.27 0.05 0.95 -2.47 0.00 0.00 174.74 172.96 2qzi s THR 88 N 0.77 1.35 0.17 0.89 -4.23 -0.29 -5.02 115.64 109.28 2qzi s THR 88 Ca -0.03 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.34 2qzi s THR 88 Cb -0.15 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 70.99 2qzi s THR 88 CO 0.02 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.33 2qzi h ASP 89 N 1.93 0.38 -0.17 3.99 3.32 -1.98 -3.04 116.42 120.86 2qzi h ASP 89 Ca -0.41 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2qzi h ASP 89 Cb 1.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2qzi h ASP 89 CO 0.72 0.27 0.00 0.29 -1.72 0.00 0.00 179.24 178.79 2qzi n LYS 90 N -4.87 1.79 -3.71 3.56 5.02 -1.26 -1.30 118.16 117.38 2qzi n LYS 90 Ca 0.03 -1.76 -0.15 0.00 -2.02 0.00 0.00 58.31 54.41 2qzi n LYS 90 Cb 0.11 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 2qzi n LYS 90 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qzi s LEU 91 N -1.32 0.38 -0.06 -0.35 2.96 -1.15 -1.73 118.68 117.42 2qzi s LEU 91 Ca 0.25 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 2qzi s LEU 91 Cb 0.16 0.26 -0.00 0.00 0.50 0.00 0.00 46.19 47.10 2qzi s LEU 91 CO 0.22 -0.19 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.22 2qzi s ILE 92 N 1.69 1.75 -0.16 6.68 1.01 0.16 -1.14 121.20 131.19 2qzi s ILE 92 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2qzi s ILE 92 Cb -0.12 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2qzi s ILE 92 CO -0.05 0.49 -0.17 -1.61 0.00 0.00 0.00 174.94 173.60 2qzi s GLU 93 N 0.09 3.14 -0.11 2.79 2.02 -0.50 -0.94 118.70 125.20 2qzi s GLU 93 Ca -0.08 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.16 2qzi s GLU 93 Cb -0.14 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 2qzi s GLU 93 CO 0.04 -0.06 -0.19 0.42 0.02 0.00 0.00 175.26 175.49 2qzi s ILE 94 N 0.99 2.55 -0.10 -1.63 1.01 -0.32 -0.36 121.20 123.34 2qzi s ILE 94 Ca -0.02 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2qzi s ILE 94 Cb -0.15 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 2qzi s ILE 94 CO -0.04 0.55 -0.17 -0.44 0.00 0.00 0.00 174.94 174.84 2qzi s SER 95 N 0.27 3.75 -0.40 3.58 0.01 0.46 -1.33 113.70 120.04 2qzi s SER 95 Ca -0.13 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2qzi s SER 95 Cb -0.16 -1.33 0.11 0.00 0.21 0.00 0.00 66.02 64.84 2qzi s SER 95 CO 0.07 0.21 0.13 -0.36 0.41 0.00 0.00 173.24 173.69 2qzi s PHE 96 N 0.07 3.51 0.59 2.43 0.08 -0.04 -1.78 117.98 122.83 2qzi s PHE 96 Ca -0.07 -3.04 -0.20 0.00 0.12 0.00 0.00 56.93 53.74 2qzi s PHE 96 Cb -0.15 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.41 2qzi s PHE 96 CO 0.05 -0.87 1.26 -2.14 -0.10 0.00 0.00 175.22 173.41 2qzi s PRO 97 N 0.49 2.96 0.13 0.24 0.02 -1.26 -0.88 135.00 136.70 2qzi s PRO 97 Ca 0.13 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.18 2qzi s PRO 97 Cb -0.21 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2qzi s PRO 97 CO -0.05 -1.25 -0.15 0.95 -0.33 0.00 0.00 177.00 176.17 2qzi s THR 98 N -1.48 1.41 0.45 0.99 -4.23 -0.28 -0.22 115.64 112.28 2qzi s THR 98 Ca 0.77 -1.77 0.11 0.00 -1.18 0.00 0.00 61.69 59.61 2qzi s THR 98 Cb -0.34 -1.61 0.25 0.00 1.34 0.00 0.00 72.50 72.15 2qzi s THR 98 CO 0.38 -0.42 2.08 0.71 -0.54 0.00 0.00 174.62 176.83 2qzi h THR 99 N 3.42 1.07 0.00 3.99 1.35 -1.27 -3.42 112.91 118.06 2qzi h THR 99 Ca -0.40 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2qzi h THR 99 Cb 1.20 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2qzi h THR 99 CO 0.51 0.08 0.00 0.55 -0.25 0.00 0.00 175.52 176.41