#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt4 h SER 2 N 0.00 0.00 0.00 1.61 4.64 -1.64 -3.38 113.55 114.78 2qt4 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qt4 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qt4 h SER 2 CO 0.00 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 2qt4 n GLY 3 N 0.47 -1.55 0.16 -0.77 0.00 -1.22 -4.84 105.19 97.45 2qt4 n GLY 3 Ca 0.00 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.09 2qt4 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qt4 h PRO 4 N 0.00 0.00 -0.01 1.61 0.13 -1.81 -1.40 132.00 130.52 2qt4 h PRO 4 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qt4 h PRO 4 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qt4 h PRO 4 CO 0.00 0.00 -0.06 0.25 -0.23 0.00 0.00 178.00 177.96 2qt4 n THR 5 N -2.37 0.00 -2.85 1.56 -2.24 -1.26 -4.53 114.28 102.59 2qt4 n THR 5 Ca 0.01 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 2qt4 n THR 5 Cb 0.18 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 2qt4 n THR 5 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2qt4 s TYR 6 N -2.16 3.56 -0.12 4.78 5.04 -0.54 -1.47 117.35 126.45 2qt4 s TYR 6 Ca 0.36 1.45 0.03 0.00 -2.44 0.00 0.00 57.07 56.47 2qt4 s TYR 6 Cb 0.21 -3.01 -0.00 0.00 0.35 0.00 0.00 41.96 39.51 2qt4 s TYR 6 CO 0.39 -0.06 -0.20 0.00 -1.34 0.00 0.00 175.55 174.34 2qt4 s TRP 8 N 0.44 -0.59 -0.61 0.00 -0.11 -1.26 -4.93 118.94 111.88 2qt4 s TRP 8 Ca -0.15 1.29 -0.23 0.00 1.22 0.00 0.00 56.10 58.23 2qt4 s TRP 8 Cb -0.17 0.25 0.05 0.00 -1.50 0.00 0.00 33.47 32.11 2qt4 s TRP 8 CO 0.06 -0.32 0.96 1.21 -4.62 0.00 0.00 176.95 174.24 2qt4 s ASN 9 N 1.08 6.25 0.20 5.86 3.84 -1.26 -4.13 114.94 126.79 2qt4 s ASN 9 Ca -0.07 -0.65 0.22 0.00 0.21 0.00 0.00 52.86 52.57 2qt4 s ASN 9 Cb -0.07 -2.43 0.91 0.00 -0.55 0.00 0.00 41.25 39.11 2qt4 s ASN 9 CO -0.09 -1.34 1.66 -0.62 -2.79 0.00 0.00 177.10 173.92 2qt4 n GLU 10 N 7.63 0.16 0.03 0.43 1.02 -1.26 -3.49 120.64 125.16 2qt4 n GLU 10 Ca -0.01 0.38 0.03 0.00 -0.02 0.00 0.00 57.16 57.54 2qt4 n GLU 10 Cb 0.47 -1.79 0.39 0.00 -0.02 0.00 0.00 31.44 30.48 2qt4 n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qt4 h ALA 11 N 2.32 1.59 -0.65 0.62 0.00 -1.91 -1.53 119.26 119.71 2qt4 h ALA 11 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qt4 h ALA 11 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qt4 h ALA 11 CO 0.00 0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.66 2qt4 n ASN 12 N -4.39 4.24 -4.77 0.00 3.02 -1.23 -3.74 115.26 108.40 2qt4 n ASN 12 Ca 0.02 -2.27 -0.40 0.00 -0.03 0.00 0.00 54.58 51.90 2qt4 n ASN 12 Cb 0.15 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 38.81 2qt4 n ASN 12 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qt4 n ASN 13 N 1.24 3.39 -0.29 6.41 5.03 -1.06 -4.86 115.26 125.13 2qt4 n ASN 13 Ca 0.24 1.13 0.17 0.00 0.87 0.00 0.00 54.58 56.99 2qt4 n ASN 13 Cb 0.76 -1.61 0.44 0.00 -1.02 0.00 0.00 39.78 38.34 2qt4 n ASN 13 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2qt4 h PRO 14 N 2.35 0.53 -0.00 3.52 0.11 -1.93 -1.53 132.00 135.05 2qt4 h PRO 14 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qt4 h PRO 14 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qt4 h PRO 14 CO 0.61 0.35 -0.02 0.41 -0.21 0.00 0.00 178.00 179.14 2qt4 n GLY 15 N -1.44 -0.94 0.00 -0.55 0.00 -1.26 -5.01 105.19 95.99 2qt4 n GLY 15 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2qt4 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt4 n GLY 16 N 1.14 2.30 3.66 -0.02 0.00 -0.58 -4.87 105.19 106.82 2qt4 n GLY 16 Ca 0.19 -2.16 -0.46 0.00 0.00 0.00 0.00 46.02 43.59 2qt4 n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qt4 n PRO 17 N -0.84 1.93 -0.95 1.61 -0.02 -1.25 -1.88 135.00 133.62 2qt4 n PRO 17 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2qt4 n PRO 17 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 2qt4 n PRO 17 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qt4 n ASN 18 N 2.52 -3.23 -4.86 2.55 4.13 -0.60 -4.99 115.26 110.78 2qt4 n ASN 18 Ca 0.14 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.07 2qt4 n ASN 18 Cb 0.29 -1.61 -0.06 0.00 -1.54 0.00 0.00 39.78 36.87 2qt4 n ASN 18 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2qt4 s ARG 19 N -0.75 3.89 0.05 3.52 1.81 -0.79 -0.89 118.95 125.80 2qt4 s ARG 19 Ca 0.00 0.40 -0.19 0.00 -1.72 0.00 0.00 55.73 54.22 2qt4 s ARG 19 Cb 0.00 -2.72 0.04 0.00 -0.45 0.00 0.00 34.95 31.82 2qt4 s ARG 19 CO 0.00 0.35 0.45 0.00 -0.68 0.00 0.00 175.30 175.42 2qt4 n SER 21 N 0.41 0.67 -3.80 0.00 3.41 -1.26 -4.46 113.62 108.59 2qt4 n SER 21 Ca -0.18 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 57.82 2qt4 n SER 21 Cb 0.60 1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 65.51 2qt4 n SER 21 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qt4 s ASN 22 N -1.48 0.01 0.60 4.04 2.20 -1.26 -5.04 114.94 114.02 2qt4 s ASN 22 Ca 0.01 -0.50 0.32 0.00 -0.94 0.00 0.00 52.86 51.75 2qt4 s ASN 22 Cb 0.03 0.36 1.92 0.00 -2.00 0.00 0.00 41.25 41.55 2qt4 s ASN 22 CO 0.15 -0.72 2.27 0.78 -2.94 0.00 0.00 177.10 176.64 2qt4 h ASN 23 N 2.82 0.00 0.67 3.54 2.35 -1.92 -2.01 115.58 121.03 2qt4 h ASN 23 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2qt4 h ASN 23 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2qt4 h ASN 23 CO 0.52 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.60 2qt4 n LYS 24 N -3.72 0.06 -0.42 0.81 5.02 -1.26 -1.41 118.16 117.23 2qt4 n LYS 24 Ca -0.03 0.25 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2qt4 n LYS 24 Cb 0.08 -1.60 0.27 0.00 -0.02 0.00 0.00 35.03 33.77 2qt4 n LYS 24 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qt4 n GLN 25 N -1.70 2.88 -5.24 1.97 6.02 -0.76 -4.81 117.38 115.74 2qt4 n GLN 25 Ca 0.04 -2.17 -0.31 0.00 -0.01 0.00 0.00 57.00 54.55 2qt4 n GLN 25 Cb 0.22 -1.66 -0.16 0.00 1.02 0.00 0.00 30.24 29.66 2qt4 n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qt4 s ASP 27 N -0.36 6.48 1.51 0.00 2.15 -1.26 -0.27 116.67 124.93 2qt4 s ASP 27 Ca 0.03 2.46 0.00 0.00 0.43 0.00 0.00 52.55 55.47 2qt4 s ASP 27 Cb -0.12 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2qt4 s ASP 27 CO 0.01 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 2qt4 n GLY 28 N 0.68 3.30 0.25 2.66 0.00 0.10 -1.41 105.19 110.78 2qt4 n GLY 28 Ca 0.04 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2qt4 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt4 n ALA 29 N 10.59 2.52 -1.57 4.61 0.00 -0.23 0.07 120.51 136.50 2qt4 n ALA 29 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 2qt4 n ALA 29 Cb 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.39 2qt4 n ALA 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qt4 s ARG 30 N -1.85 3.00 0.20 0.00 0.52 -0.50 -4.63 118.95 115.69 2qt4 s ARG 30 Ca 0.19 1.27 0.02 0.00 -0.52 0.00 0.00 55.73 56.69 2qt4 s ARG 30 Cb 0.09 -1.99 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 2qt4 s ARG 30 CO 0.14 -1.07 0.02 0.95 0.02 0.00 0.00 175.30 175.36 2qt4 s THR 31 N -2.46 0.71 -0.09 0.02 -4.23 -0.47 -0.00 115.64 109.11 2qt4 s THR 31 Ca 0.65 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 2qt4 s THR 31 Cb -0.18 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2qt4 s THR 31 CO 0.41 -0.35 0.59 0.00 -0.54 0.00 0.00 174.62 174.73 2qt4 s SER 33 N 0.72 5.35 0.46 0.00 1.04 0.43 -4.94 113.70 116.76 2qt4 s SER 33 Ca 0.32 0.76 0.32 0.00 0.48 0.00 0.00 55.95 57.82 2qt4 s SER 33 Cb -0.16 -1.61 1.56 0.00 0.10 0.00 0.00 66.02 65.90 2qt4 s SER 33 CO 0.14 -1.28 1.96 0.77 0.98 0.00 0.00 173.24 175.81 2qt4 h SER 34 N -0.41 0.00 0.29 7.02 4.64 -1.97 -1.53 113.55 121.59 2qt4 h SER 34 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2qt4 h SER 34 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2qt4 h SER 34 CO 0.62 0.00 -0.13 -1.20 -0.87 0.00 0.00 176.83 175.25 2qt4 n SER 35 N -2.69 0.65 -0.46 4.97 7.64 -1.26 -4.95 113.62 117.53 2qt4 n SER 35 Ca -0.01 -0.73 -0.04 0.00 1.01 0.00 0.00 58.87 59.10 2qt4 n SER 35 Cb 0.15 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2qt4 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qt4 n GLY 36 N 1.27 0.29 3.36 0.23 0.00 -0.58 -4.99 105.19 104.77 2qt4 n GLY 36 Ca 0.15 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2qt4 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qt4 s PHE 37 N -2.20 2.32 0.54 1.61 0.08 -1.26 -0.85 117.98 118.22 2qt4 s PHE 37 Ca 0.00 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 2qt4 s PHE 37 Cb 0.00 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 2qt4 s PHE 37 CO 0.00 0.18 1.19 0.00 -0.10 0.00 0.00 175.22 176.49 2qt4 s GLN 39 N -3.13 0.87 0.00 0.00 -2.07 0.49 -4.87 119.66 110.95 2qt4 s GLN 39 Ca 0.72 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 53.50 2qt4 s GLN 39 Cb -0.29 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 31.99 2qt4 s GLN 39 CO 0.33 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 2qt4 n GLY 40 N 0.13 -1.57 3.49 2.60 0.00 -1.26 -1.37 105.19 107.21 2qt4 n GLY 40 Ca -0.16 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 2qt4 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qt4 s THR 41 N -0.05 4.32 0.10 2.61 2.01 -1.26 -4.87 115.64 118.49 2qt4 s THR 41 Ca 0.00 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 2qt4 s THR 41 Cb 0.00 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2qt4 s THR 41 CO 0.00 0.39 1.58 0.77 -0.69 0.00 0.00 174.62 176.67 2qt4 h SER 42 N 7.67 0.44 -4.71 3.53 4.64 -1.90 -3.36 113.55 119.87 2qt4 h SER 42 Ca -0.37 -0.25 0.23 0.00 -0.47 0.00 0.00 61.79 60.93 2qt4 h SER 42 Cb 1.18 -0.12 -0.16 0.00 -0.31 0.00 0.00 62.40 62.99 2qt4 h SER 42 CO 0.61 0.58 0.72 0.00 -0.87 0.00 0.00 176.83 177.86 2qt4 s ARG 43 N -5.22 0.51 -0.04 4.77 1.70 -1.26 -1.07 118.95 118.34 2qt4 s ARG 43 Ca -0.13 -0.22 -0.02 0.00 -0.47 0.00 0.00 55.73 54.88 2qt4 s ARG 43 Cb 0.08 0.22 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 2qt4 s ARG 43 CO 0.74 -0.23 0.05 0.15 -1.08 0.00 0.00 175.30 174.93 2qt4 s LYS 44 N -2.65 0.02 0.70 3.89 1.02 -1.26 -3.86 119.74 117.60 2qt4 s LYS 44 Ca 0.09 0.34 -0.11 0.00 0.02 0.00 0.00 55.97 56.32 2qt4 s LYS 44 Cb 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.75 2qt4 s LYS 44 CO -0.05 -0.32 1.06 -1.25 -0.92 0.00 0.00 175.35 173.87 2qt4 s PRO 45 N 2.13 2.89 -0.09 -1.68 0.04 -1.26 -5.05 135.00 131.98 2qt4 s PRO 45 Ca 0.05 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2qt4 s PRO 45 Cb -0.12 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2qt4 s PRO 45 CO -0.03 -1.11 -0.07 0.34 0.04 0.00 0.00 177.00 176.17 2qt4 s ASP 46 N -3.89 1.91 0.78 6.66 2.15 -1.25 -2.87 116.67 120.16 2qt4 s ASP 46 Ca 0.58 -0.26 -0.13 0.00 0.43 0.00 0.00 52.55 53.17 2qt4 s ASP 46 Cb -0.14 -0.76 0.07 0.00 -0.30 0.00 0.00 42.92 41.79 2qt4 s ASP 46 CO 0.55 -0.09 1.15 -2.84 -0.17 0.00 0.00 175.17 173.77 2qt4 s PRO 47 N 1.44 1.95 0.87 4.34 0.02 -1.26 -5.12 135.00 137.24 2qt4 s PRO 47 Ca -0.01 1.52 -0.12 0.00 0.02 0.00 0.00 61.00 62.41 2qt4 s PRO 47 Cb -0.13 -1.84 0.11 0.00 0.02 0.00 0.00 34.50 32.66 2qt4 s PRO 47 CO -0.05 -1.93 1.10 0.20 -0.33 0.00 0.00 177.00 176.00 2qt4 s GLY 48 N -2.59 1.61 0.90 0.52 0.00 -1.14 -5.04 107.32 101.59 2qt4 s GLY 48 Ca 0.68 -0.20 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 2qt4 s GLY 48 CO 0.50 0.28 1.09 2.56 0.00 0.00 0.00 173.10 177.54 2qt4 s PRO 49 N -5.06 1.19 0.25 2.90 0.04 -1.26 -4.56 135.00 128.50 2qt4 s PRO 49 Ca 0.63 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2qt4 s PRO 49 Cb -0.16 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 2qt4 s PRO 49 CO 0.55 -2.33 1.35 1.63 0.04 0.00 0.00 177.00 178.25 2qt4 n LYS 50 N -3.96 1.94 0.00 4.56 4.76 -1.26 -3.79 118.16 120.41 2qt4 n LYS 50 Ca 0.07 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 2qt4 n LYS 50 Cb 0.54 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 2qt4 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qt4 n GLY 51 N 1.88 0.83 0.21 0.72 0.00 -1.12 -4.92 105.19 102.80 2qt4 n GLY 51 Ca 0.11 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.26 2qt4 n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qt4 h PRO 52 N 8.01 0.00 -0.44 1.61 0.11 -1.84 -1.59 132.00 137.86 2qt4 h PRO 52 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qt4 h PRO 52 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qt4 h PRO 52 CO 0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 2qt4 n THR 53 N -2.52 0.57 -3.07 -1.15 -2.24 -1.26 -4.39 114.28 100.22 2qt4 n THR 53 Ca -0.01 -0.74 -0.41 0.00 -2.27 0.00 0.00 64.05 60.62 2qt4 n THR 53 Cb 0.09 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 2qt4 n THR 53 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2qt4 s TYR 54 N -1.43 3.26 -0.23 4.78 5.04 -0.61 -3.52 117.35 124.64 2qt4 s TYR 54 Ca 0.40 0.80 -0.06 0.00 -2.44 0.00 0.00 57.07 55.77 2qt4 s TYR 54 Cb 0.22 -2.93 -0.02 0.00 0.35 0.00 0.00 41.96 39.58 2qt4 s TYR 54 CO 0.31 -0.39 0.03 0.00 -1.34 0.00 0.00 175.55 174.16 2qt4 s TRP 56 N 1.45 -0.33 -0.59 0.00 -0.11 -1.26 -4.93 118.94 113.16 2qt4 s TRP 56 Ca 0.05 0.78 -0.22 0.00 1.22 0.00 0.00 56.10 57.93 2qt4 s TRP 56 Cb -0.15 0.05 0.06 0.00 -1.50 0.00 0.00 33.47 31.93 2qt4 s TRP 56 CO 0.02 -0.23 0.88 0.34 -4.62 0.00 0.00 176.95 173.33 2qt4 s ASP 57 N 1.24 6.24 0.13 5.86 2.15 -1.26 -4.22 116.67 126.81 2qt4 s ASP 57 Ca -0.09 -0.79 0.20 0.00 0.43 0.00 0.00 52.55 52.29 2qt4 s ASP 57 Cb -0.10 -2.39 0.82 0.00 -0.30 0.00 0.00 42.92 40.94 2qt4 s ASP 57 CO -0.08 -1.25 1.61 -0.62 -0.17 0.00 0.00 175.17 174.66 2qt4 n GLU 58 N 7.25 0.10 0.26 4.34 1.02 -1.26 -2.99 120.64 129.35 2qt4 n GLU 58 Ca -0.03 0.32 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 2qt4 n GLU 58 Cb 0.46 -1.68 0.70 0.00 -0.02 0.00 0.00 31.44 30.90 2qt4 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qt4 h ALA 59 N 2.41 1.63 -0.68 0.62 0.00 -1.91 -1.58 119.26 119.75 2qt4 h ALA 59 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qt4 h ALA 59 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qt4 h ALA 59 CO 0.00 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.97 2qt4 n LYS 60 N -4.10 2.79 -2.04 0.00 4.76 -1.16 -3.97 118.16 114.45 2qt4 n LYS 60 Ca -0.03 -2.54 -0.38 0.00 -2.87 0.00 0.00 58.31 52.50 2qt4 n LYS 60 Cb 0.16 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 31.76 2qt4 n LYS 60 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2qt4 s ASN 61 N -0.97 5.88 0.54 4.39 0.01 -1.00 -4.86 114.94 118.92 2qt4 s ASN 61 Ca 0.47 2.55 0.32 0.00 -0.71 0.00 0.00 52.86 55.49 2qt4 s ASN 61 Cb 0.25 -2.62 1.44 0.00 0.41 0.00 0.00 41.25 40.73 2qt4 s ASN 61 CO 0.30 -1.14 2.02 1.55 -1.51 0.00 0.00 177.10 178.32 2qt4 h PRO 62 N 1.98 0.00 -0.48 -0.60 0.13 -1.92 -1.93 132.00 129.18 2qt4 h PRO 62 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2qt4 h PRO 62 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qt4 h PRO 62 CO 0.60 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 2qt4 n GLY 63 N -0.22 1.37 0.00 1.56 0.00 -1.26 -5.04 105.19 101.61 2qt4 n GLY 63 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2qt4 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt4 n GLY 64 N 1.34 2.18 3.66 -0.02 0.00 -0.73 -4.83 105.19 106.79 2qt4 n GLY 64 Ca 0.18 -2.09 -0.46 0.00 0.00 0.00 0.00 46.02 43.65 2qt4 n GLY 64 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qt4 n PRO 65 N 0.03 1.98 -0.99 1.61 -0.02 -1.25 -2.19 135.00 134.17 2qt4 n PRO 65 Ca 0.00 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2qt4 n PRO 65 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 2qt4 n PRO 65 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qt4 n ASN 66 N 2.52 -4.07 -4.91 2.55 4.13 -0.63 -4.98 115.26 109.86 2qt4 n ASN 66 Ca 0.14 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.12 2qt4 n ASN 66 Cb 0.30 -1.80 -0.03 0.00 -1.54 0.00 0.00 39.78 36.71 2qt4 n ASN 66 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2qt4 s ARG 67 N -0.87 3.58 0.01 3.52 1.81 -0.93 -1.47 118.95 124.60 2qt4 s ARG 67 Ca 0.00 -0.14 -0.26 0.00 -1.72 0.00 0.00 55.73 53.61 2qt4 s ARG 67 Cb 0.00 -2.73 0.06 0.00 -0.45 0.00 0.00 34.95 31.83 2qt4 s ARG 67 CO 0.00 0.29 0.58 0.00 -0.68 0.00 0.00 175.30 175.50 2qt4 n SER 69 N 0.66 0.46 -3.82 0.00 3.41 -1.26 -4.38 113.62 108.69 2qt4 n SER 69 Ca -0.19 -0.67 -0.09 0.00 -0.26 0.00 0.00 58.87 57.66 2qt4 n SER 69 Cb 0.59 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.48 2qt4 n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qt4 s ASN 70 N -1.79 0.05 0.28 4.04 2.20 -1.26 -5.04 114.94 113.41 2qt4 s ASN 70 Ca 0.03 -0.55 0.25 0.00 -0.94 0.00 0.00 52.86 51.64 2qt4 s ASN 70 Cb 0.06 0.36 1.00 0.00 -2.00 0.00 0.00 41.25 40.66 2qt4 s ASN 70 CO 0.33 -0.73 1.74 0.28 -2.94 0.00 0.00 177.10 175.78 2qt4 h SER 71 N 2.78 0.00 0.64 3.54 0.02 -1.91 -2.54 113.55 116.07 2qt4 h SER 71 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2qt4 h SER 71 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2qt4 h SER 71 CO 0.54 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.52 2qt4 n LYS 72 N -2.31 0.16 -0.19 3.45 5.02 -1.26 -1.90 118.16 121.12 2qt4 n LYS 72 Ca 0.02 0.41 0.06 0.00 -2.02 0.00 0.00 58.31 56.78 2qt4 n LYS 72 Cb 0.25 -1.81 0.18 0.00 -0.02 0.00 0.00 35.03 33.63 2qt4 n LYS 72 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qt4 n GLN 73 N -2.10 1.89 -4.95 1.97 6.02 -0.96 -4.88 117.38 114.36 2qt4 n GLN 73 Ca 0.02 -1.37 -0.29 0.00 -0.01 0.00 0.00 57.00 55.35 2qt4 n GLN 73 Cb 0.20 -1.30 -0.15 0.00 1.02 0.00 0.00 30.24 30.01 2qt4 n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qt4 s ASP 75 N -0.98 7.10 1.10 0.00 2.15 -1.26 -4.65 116.67 120.13 2qt4 s ASP 75 Ca 0.10 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.44 2qt4 s ASP 75 Cb -0.09 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2qt4 s ASP 75 CO 0.01 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2qt4 n GLY 76 N 1.05 2.83 0.00 2.66 0.00 0.32 -1.26 105.19 110.78 2qt4 n GLY 76 Ca -0.00 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.77 2qt4 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt4 n ALA 77 N 9.51 2.35 -1.74 4.61 0.00 -0.13 -2.80 120.51 132.31 2qt4 n ALA 77 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 2qt4 n ALA 77 Cb 0.00 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.11 2qt4 n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qt4 s ARG 78 N -2.15 2.83 0.32 0.00 0.52 -0.39 -4.83 118.95 115.26 2qt4 s ARG 78 Ca 0.33 1.95 0.04 0.00 -0.52 0.00 0.00 55.73 57.53 2qt4 s ARG 78 Cb 0.16 -1.93 -0.06 0.00 0.52 0.00 0.00 34.95 33.64 2qt4 s ARG 78 CO 0.30 -1.35 0.04 0.95 0.02 0.00 0.00 175.30 175.26 2qt4 s THR 79 N -1.49 1.28 -0.25 0.02 -4.23 -0.84 -4.68 115.64 105.47 2qt4 s THR 79 Ca 0.79 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 2qt4 s THR 79 Cb -0.34 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 2qt4 s THR 79 CO 0.37 -0.05 0.57 0.00 -0.54 0.00 0.00 174.62 174.97 2qt4 s SER 81 N 1.44 3.46 0.58 0.00 1.04 0.23 -4.89 113.70 115.55 2qt4 s SER 81 Ca 0.24 1.80 0.27 0.00 0.48 0.00 0.00 55.95 58.74 2qt4 s SER 81 Cb -0.16 -2.41 1.64 0.00 0.10 0.00 0.00 66.02 65.19 2qt4 s SER 81 CO 0.09 -2.70 2.14 0.77 0.98 0.00 0.00 173.24 174.52 2qt4 h SER 82 N -1.59 0.00 -0.13 7.02 4.64 -1.97 -0.90 113.55 120.62 2qt4 h SER 82 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2qt4 h SER 82 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2qt4 h SER 82 CO 0.49 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.91 2qt4 n SER 83 N -3.93 1.26 -0.68 4.97 3.41 -1.26 -4.93 113.62 112.45 2qt4 n SER 83 Ca 0.00 -1.66 -0.03 0.00 -0.26 0.00 0.00 58.87 56.92 2qt4 n SER 83 Cb 0.26 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2qt4 n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qt4 n GLY 84 N 1.04 0.50 3.32 5.00 0.00 -0.34 -4.99 105.19 109.71 2qt4 n GLY 84 Ca 0.15 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2qt4 n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qt4 s PHE 85 N -2.63 2.35 0.38 1.61 0.08 -1.26 -1.16 117.98 117.35 2qt4 s PHE 85 Ca 0.05 -0.42 -0.26 0.00 0.12 0.00 0.00 56.93 56.41 2qt4 s PHE 85 Cb -0.02 -1.50 -0.09 0.00 -0.57 0.00 0.00 43.02 40.84 2qt4 s PHE 85 CO 0.06 -0.02 1.24 0.00 -0.10 0.00 0.00 175.22 176.40 2qt4 s GLN 87 N -2.12 0.83 0.23 0.00 -2.07 0.07 -4.89 119.66 111.71 2qt4 s GLN 87 Ca 0.55 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 53.29 2qt4 s GLN 87 Cb -0.35 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 2qt4 s GLN 87 CO 0.45 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.57 2qt4 n GLY 88 N 0.18 -2.67 3.82 2.60 0.00 -1.26 -1.98 105.19 105.89 2qt4 n GLY 88 Ca -0.16 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 2qt4 n GLY 88 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qt4 s THR 89 N -0.54 4.67 0.28 2.61 -1.32 -1.26 -4.84 115.64 115.24 2qt4 s THR 89 Ca 0.00 1.14 0.11 0.00 -1.21 0.00 0.00 61.69 61.73 2qt4 s THR 89 Cb 0.00 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.17 2qt4 s THR 89 CO 0.00 0.24 1.66 0.00 -2.21 0.00 0.00 174.62 174.30 2qt4 h ALA 90 N 3.52 1.05 0.00 11.08 0.00 -1.92 -3.25 119.26 129.74 2qt4 h ALA 90 Ca -0.48 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2qt4 h ALA 90 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2qt4 h ALA 90 CO 0.65 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.01 2qt4 n GLY 91 N 0.12 0.49 3.83 0.00 0.00 -1.26 -0.95 105.19 107.42 2qt4 n GLY 91 Ca -0.01 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2qt4 n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qt4 s HIS 92 N -2.00 3.38 0.53 1.61 3.76 -1.26 -4.71 115.29 116.60 2qt4 s HIS 92 Ca 0.00 1.53 -0.22 0.00 -0.15 0.00 0.00 55.06 56.22 2qt4 s HIS 92 Cb 0.00 -2.81 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 2qt4 s HIS 92 CO 0.00 -0.24 1.28 0.00 -0.85 0.00 0.00 174.74 174.94 2qt4 s ALA 93 N -2.40 2.82 -0.56 -1.40 0.00 -0.54 -4.94 121.76 114.74 2qt4 s ALA 93 Ca 0.60 1.18 0.25 0.00 0.00 0.00 0.00 51.96 54.00 2qt4 s ALA 93 Cb -0.09 -3.50 0.73 0.00 0.00 0.00 0.00 23.12 20.25 2qt4 s ALA 93 CO 0.22 -1.15 1.73 0.00 0.00 0.00 0.00 175.76 176.57 2qt4 h ALA 94 N 1.54 1.00 0.00 0.00 0.00 -1.96 -3.43 119.26 116.41 2qt4 h ALA 94 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qt4 h ALA 94 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qt4 h ALA 94 CO 0.58 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.83