#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h62 s SER 12 N 0.00 4.91 0.56 -5.58 0.15 -1.26 -4.96 113.70 107.51 2h62 s SER 12 Ca 0.00 -0.70 -0.16 0.00 0.70 0.00 0.00 55.95 55.79 2h62 s SER 12 Cb 0.00 -0.77 -0.06 0.00 -1.71 0.00 0.00 66.02 63.48 2h62 s SER 12 CO 0.00 -0.38 1.03 -0.94 1.20 0.00 0.00 173.24 174.15 2h62 s SER 13 N -3.94 6.14 -0.31 5.45 1.04 -1.26 -0.03 113.70 120.78 2h62 s SER 13 Ca 0.40 1.74 -0.36 0.00 0.48 0.00 0.00 55.95 58.21 2h62 s SER 13 Cb -0.03 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.44 2h62 s SER 13 CO 0.25 -0.92 2.10 0.00 0.98 0.00 0.00 173.24 175.65 2h62 s LYS 15 N 5.67 1.82 0.29 0.00 -2.85 -0.39 -4.87 119.74 119.41 2h62 s LYS 15 Ca 1.06 -1.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.68 2h62 s LYS 15 Cb -0.86 0.58 -0.10 0.00 -2.06 0.00 0.00 37.83 35.39 2h62 s LYS 15 CO 0.51 -0.84 1.18 1.03 0.10 0.00 0.00 175.35 177.34 2h62 s ARG 16 N -3.34 4.52 0.12 1.78 0.52 -1.26 -1.82 118.95 119.48 2h62 s ARG 16 Ca 0.13 1.96 0.08 0.00 -0.52 0.00 0.00 55.73 57.38 2h62 s ARG 16 Cb -0.05 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 2h62 s ARG 16 CO 0.08 0.04 -0.20 -1.01 0.02 0.00 0.00 175.30 174.23 2h62 s HIS 17 N -1.01 1.76 0.53 -0.53 3.76 0.18 -4.94 115.29 115.05 2h62 s HIS 17 Ca 0.47 -0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 54.73 2h62 s HIS 17 Cb -0.35 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 2h62 s HIS 17 CO 0.45 0.24 1.21 -2.14 -0.85 0.00 0.00 174.74 173.64 2h62 s PRO 18 N -2.21 3.32 -0.30 8.40 0.02 -1.26 -1.48 135.00 141.48 2h62 s PRO 18 Ca 0.09 1.85 -0.06 0.00 0.02 0.00 0.00 61.00 62.90 2h62 s PRO 18 Cb -0.08 -2.15 0.18 0.00 0.02 0.00 0.00 34.50 32.46 2h62 s PRO 18 CO 0.05 -0.94 0.76 -1.17 -0.33 0.00 0.00 177.00 175.37 2h62 s LEU 19 N -3.59 -1.04 -0.26 -5.54 2.96 -1.26 -4.64 118.68 105.31 2h62 s LEU 19 Ca 0.71 0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 55.30 2h62 s LEU 19 Cb -0.31 1.92 -0.04 0.00 0.50 0.00 0.00 46.19 48.27 2h62 s LEU 19 CO 0.35 -0.20 0.14 -0.47 -1.32 0.00 0.00 176.35 174.86 2h62 s TYR 20 N 2.86 3.20 -0.34 5.38 5.04 -1.26 -1.03 117.35 131.19 2h62 s TYR 20 Ca 0.10 -0.02 -0.18 0.00 -2.44 0.00 0.00 57.07 54.53 2h62 s TYR 20 Cb -0.13 -2.30 -0.01 0.00 0.35 0.00 0.00 41.96 39.88 2h62 s TYR 20 CO -0.18 -0.15 0.50 0.08 -1.34 0.00 0.00 175.55 174.46 2h62 s VAL 21 N 1.49 5.04 -0.33 3.14 1.01 -0.08 -4.95 120.40 125.72 2h62 s VAL 21 Ca 0.07 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2h62 s VAL 21 Cb -0.15 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2h62 s VAL 21 CO 0.07 -0.19 0.19 -0.62 0.00 0.00 0.00 175.10 174.55 2h62 s ASP 22 N 1.75 5.75 0.50 3.32 -1.08 -1.26 -1.47 116.67 124.18 2h62 s ASP 22 Ca 0.18 -0.52 0.19 0.00 -0.52 0.00 0.00 52.55 51.88 2h62 s ASP 22 Cb -0.16 -2.05 1.28 0.00 -1.46 0.00 0.00 42.92 40.53 2h62 s ASP 22 CO 0.13 -0.22 2.09 -0.26 0.52 0.00 0.00 175.17 177.42 2h62 h PHE 23 N 8.41 0.00 -0.52 -5.34 0.04 -1.77 -1.02 116.94 116.73 2h62 h PHE 23 Ca -0.31 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.42 2h62 h PHE 23 Cb 1.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 2h62 h PHE 23 CO 0.64 0.10 0.20 0.77 -0.60 0.00 0.00 178.31 179.42 2h62 h SER 24 N 0.00 0.73 0.60 2.17 0.02 -1.92 0.38 113.55 115.53 2h62 h SER 24 Ca -0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2h62 h SER 24 Cb 0.19 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2h62 h SER 24 CO 0.01 0.70 -0.08 0.44 -1.14 0.00 0.00 176.83 176.77 2h62 h ASP 25 N 0.70 0.00 0.89 3.07 3.32 -1.59 -0.41 116.42 122.41 2h62 h ASP 25 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2h62 h ASP 25 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2h62 h ASP 25 CO -0.01 0.08 -0.84 0.58 -1.72 0.00 0.00 179.24 177.32 2h62 h VAL 26 N 0.00 0.00 -0.11 -1.35 2.07 -1.03 -3.48 116.25 112.35 2h62 h VAL 26 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2h62 h VAL 26 Cb 0.40 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2h62 h VAL 26 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2h62 n GLY 27 N 1.26 0.80 0.47 2.17 0.00 0.38 -4.99 105.19 105.28 2h62 n GLY 27 Ca 0.02 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.43 2h62 n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2h62 n TRP 28 N -3.06 0.31 0.37 1.61 8.01 0.11 -4.68 117.44 120.10 2h62 n TRP 28 Ca 0.00 -0.44 0.04 0.00 -1.31 0.00 0.00 57.50 55.78 2h62 n TRP 28 Cb 0.38 -0.03 0.19 0.00 -2.01 0.00 0.00 31.31 29.84 2h62 n TRP 28 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2h62 n ASN 29 N 0.29 0.00 -0.02 -0.99 6.94 -1.22 -2.00 115.26 118.26 2h62 n ASN 29 Ca 0.08 0.12 -0.09 0.00 -0.02 0.00 0.00 54.58 54.67 2h62 n ASN 29 Cb 0.36 -0.24 -0.14 0.00 -2.36 0.00 0.00 39.78 37.40 2h62 n ASN 29 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2h62 n ASP 30 N -1.24 0.88 -0.00 0.53 5.75 -1.26 -4.36 116.55 116.85 2h62 n ASP 30 Ca 0.04 0.40 0.07 0.00 -0.01 0.00 0.00 54.79 55.29 2h62 n ASP 30 Cb 0.05 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 2h62 n ASP 30 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2h62 n TRP 31 N -3.05 0.00 -3.53 2.11 4.27 -1.01 -4.87 117.44 111.36 2h62 n TRP 31 Ca -0.17 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.02 2h62 n TRP 31 Cb 1.05 -0.10 -0.11 0.00 -1.36 0.00 0.00 31.31 30.79 2h62 n TRP 31 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2h62 s ILE 32 N -2.50 4.90 0.10 -1.67 1.01 -0.85 0.14 121.20 122.34 2h62 s ILE 32 Ca 0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2h62 s ILE 32 Cb 0.10 -3.73 -0.19 0.00 0.01 0.00 0.00 42.46 38.65 2h62 s ILE 32 CO 0.56 -0.27 1.27 0.58 0.00 0.00 0.00 174.94 177.08 2h62 h VAL 33 N 5.76 1.31 -1.97 2.92 2.07 -1.24 -3.44 116.25 121.65 2h62 h VAL 33 Ca -0.26 -2.18 -0.04 0.00 0.82 0.00 0.00 66.70 65.04 2h62 h VAL 33 Cb 1.11 2.23 -0.20 0.00 -1.52 0.00 0.00 31.29 32.91 2h62 h VAL 33 CO 0.70 0.67 0.19 0.00 0.02 0.00 0.00 177.57 179.15 2h62 s ALA 34 N -3.48 -1.79 0.81 1.67 0.00 -0.98 -4.76 121.76 113.24 2h62 s ALA 34 Ca -0.09 1.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.38 2h62 s ALA 34 Cb 0.08 -0.50 0.12 0.00 0.00 0.00 0.00 23.12 22.83 2h62 s ALA 34 CO 0.90 -0.35 1.14 -1.25 0.00 0.00 0.00 175.76 176.20 2h62 s PRO 35 N -0.58 1.53 0.53 0.00 0.04 -1.26 -0.60 135.00 134.65 2h62 s PRO 35 Ca -0.06 -0.42 0.32 0.00 0.04 0.00 0.00 61.00 60.88 2h62 s PRO 35 Cb -0.02 -2.06 1.27 0.00 0.04 0.00 0.00 34.50 33.73 2h62 s PRO 35 CO 0.06 -1.74 1.94 -1.35 0.04 0.00 0.00 177.00 175.96 2h62 h PRO 36 N -1.01 0.00 0.00 0.56 0.11 -1.92 -3.47 132.00 126.27 2h62 h PRO 36 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2h62 h PRO 36 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2h62 h PRO 36 CO 0.50 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 2h62 n GLY 37 N 0.12 -1.36 3.44 -0.55 0.00 -1.26 -2.10 105.19 103.48 2h62 n GLY 37 Ca 0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2h62 n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h62 s TYR 38 N -2.34 -0.50 -0.71 1.61 1.13 -0.54 -4.99 117.35 111.01 2h62 s TYR 38 Ca 0.00 0.32 -0.24 0.00 -1.41 0.00 0.00 57.07 55.74 2h62 s TYR 38 Cb 0.00 0.55 0.06 0.00 -1.10 0.00 0.00 41.96 41.47 2h62 s TYR 38 CO 0.00 -0.78 1.09 -1.01 -2.51 0.00 0.00 175.55 172.34 2h62 s HIS 39 N -3.57 2.56 0.00 -3.49 3.76 -1.26 -0.90 115.29 112.39 2h62 s HIS 39 Ca 0.02 -0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2h62 s HIS 39 Cb -0.01 -4.42 -0.27 0.00 1.11 0.00 0.00 32.58 28.99 2h62 s HIS 39 CO -0.12 -1.79 0.86 0.00 -0.85 0.00 0.00 174.74 172.84 2h62 h ALA 40 N 9.70 0.30 -2.64 -1.40 0.00 -1.36 -3.44 119.26 120.42 2h62 h ALA 40 Ca -0.25 -1.12 0.31 0.00 0.00 0.00 0.00 54.91 53.84 2h62 h ALA 40 Cb 1.06 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 2h62 h ALA 40 CO 1.22 1.17 -0.58 1.19 0.00 0.00 0.00 179.25 182.25 2h62 n PHE 41 N -3.43 -2.95 -3.74 0.00 3.72 -0.80 -0.93 117.46 109.32 2h62 n PHE 41 Ca -0.16 1.51 -0.08 0.00 -0.05 0.00 0.00 57.45 58.67 2h62 n PHE 41 Cb 1.04 -2.68 -0.02 0.00 -0.94 0.00 0.00 39.48 36.87 2h62 n PHE 41 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2h62 s TYR 42 N -2.51 -0.27 -0.08 1.38 -0.85 -0.55 -4.67 117.35 109.80 2h62 s TYR 42 Ca 0.00 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.44 2h62 s TYR 42 Cb 0.00 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 2h62 s TYR 42 CO 0.00 -1.12 -0.09 0.00 -1.52 0.00 0.00 175.55 172.82 2h62 s HIS 44 N -0.59 -0.51 0.00 0.00 5.04 -0.76 -4.79 115.29 113.68 2h62 s HIS 44 Ca 0.09 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.44 2h62 s HIS 44 Cb -0.12 0.33 0.00 0.00 0.04 0.00 0.00 32.58 32.83 2h62 s HIS 44 CO 0.02 -0.56 0.00 0.41 -2.34 0.00 0.00 174.74 172.26 2h62 n GLY 45 N 0.92 4.20 3.80 1.59 0.00 -1.26 -1.26 105.19 113.19 2h62 n GLY 45 Ca -0.20 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 2h62 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h62 s GLU 46 N -3.21 2.96 -0.66 1.61 2.12 0.95 -4.08 118.70 118.40 2h62 s GLU 46 Ca 0.00 1.10 0.05 0.00 0.36 0.00 0.00 54.97 56.49 2h62 s GLU 46 Cb 0.00 -1.99 0.19 0.00 0.26 0.00 0.00 34.13 32.59 2h62 s GLU 46 CO 0.00 -1.09 0.55 0.00 -0.54 0.00 0.00 175.26 174.18 2h62 s PRO 48 N -1.60 3.30 -0.08 0.00 0.04 -1.26 -4.63 135.00 130.77 2h62 s PRO 48 Ca 0.30 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2h62 s PRO 48 Cb 0.02 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2h62 s PRO 48 CO -0.13 -0.83 0.43 0.12 0.04 0.00 0.00 177.00 176.63 2h62 s PHE 49 N -2.40 3.58 0.20 0.56 5.36 -1.26 -1.89 117.98 122.13 2h62 s PHE 49 Ca 0.64 0.89 -0.30 0.00 -0.96 0.00 0.00 56.93 57.21 2h62 s PHE 49 Cb -0.17 -2.44 -0.08 0.00 -0.34 0.00 0.00 43.02 39.99 2h62 s PHE 49 CO 0.36 0.34 0.93 -2.14 -1.46 0.00 0.00 175.22 173.25 2h62 s PRO 50 N 0.02 4.80 -0.10 10.12 0.02 -1.26 -5.05 135.00 143.55 2h62 s PRO 50 Ca 0.24 1.45 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 2h62 s PRO 50 Cb -0.15 -3.30 -0.09 0.00 0.02 0.00 0.00 34.50 30.98 2h62 s PRO 50 CO 0.11 0.45 2.05 -0.11 -0.33 0.00 0.00 177.00 179.16 2h62 n LEU 51 N 1.81 3.58 -4.67 -5.54 7.94 -0.79 -4.90 117.00 114.43 2h62 n LEU 51 Ca -0.01 0.67 -0.47 0.00 -1.11 0.00 0.00 56.01 55.10 2h62 n LEU 51 Cb 0.48 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 42.90 2h62 n LEU 51 CO 0.50 -0.19 1.29 0.00 -1.11 0.00 0.00 177.39 177.88 2h62 n ALA 52 N 8.75 1.24 -0.21 1.96 0.00 -1.26 -4.90 120.51 126.08 2h62 n ALA 52 Ca 0.25 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 54.05 2h62 n ALA 52 Cb 0.38 -2.40 0.03 0.00 0.00 0.00 0.00 19.45 17.45 2h62 n ALA 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2h62 h ASP 53 N 7.02 -1.02 0.00 0.00 3.32 -2.01 0.71 116.42 124.43 2h62 h ASP 53 Ca -0.46 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2h62 h ASP 53 Cb 1.26 0.54 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2h62 h ASP 53 CO 0.91 -0.28 0.20 1.12 -1.72 0.00 0.00 179.24 179.46 2h62 h HIS 54 N -0.12 0.00 -3.11 4.55 2.07 -2.03 -3.40 115.15 113.11 2h62 h HIS 54 Ca 0.26 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.25 2h62 h HIS 54 Cb 0.54 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.53 2h62 h HIS 54 CO -0.62 0.00 0.63 -0.51 -3.07 0.00 0.00 177.93 174.36 2h62 s LEU 55 N -5.74 4.37 -0.27 6.12 1.43 0.25 -4.94 118.68 119.90 2h62 s LEU 55 Ca -0.04 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.91 2h62 s LEU 55 Cb 0.10 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 2h62 s LEU 55 CO 0.31 -0.55 1.37 0.21 0.23 0.00 0.00 176.35 177.92 2h62 s ASN 56 N 1.09 6.63 -0.01 2.29 3.84 -1.26 -4.92 114.94 122.60 2h62 s ASN 56 Ca 0.61 1.36 0.01 0.00 0.21 0.00 0.00 52.86 55.05 2h62 s ASN 56 Cb -0.32 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 37.84 2h62 s ASN 56 CO 0.29 -1.09 -0.02 -0.44 -2.79 0.00 0.00 177.10 173.06 2h62 s SER 57 N 3.04 0.35 0.66 -4.21 0.01 -1.26 -1.34 113.70 110.94 2h62 s SER 57 Ca 0.60 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.71 2h62 s SER 57 Cb -0.19 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 65.95 2h62 s SER 57 CO 0.24 0.00 1.04 0.42 0.41 0.00 0.00 173.24 175.35 2h62 s THR 58 N 0.21 3.86 0.35 1.44 -4.23 -1.25 -4.91 115.64 111.10 2h62 s THR 58 Ca -0.02 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.02 2h62 s THR 58 Cb -0.04 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.49 2h62 s THR 58 CO -0.01 -0.74 1.98 0.78 -0.54 0.00 0.00 174.62 176.10 2h62 h ASN 59 N -0.47 0.71 -0.28 3.99 2.35 -1.99 -1.95 115.58 117.94 2h62 h ASN 59 Ca -0.45 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.27 2h62 h ASN 59 Cb 1.24 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 2h62 h ASN 59 CO 0.63 0.49 0.10 -0.74 -1.65 0.00 0.00 177.43 176.26 2h62 h HIS 60 N 0.83 0.44 -0.83 1.19 2.76 -1.99 -0.13 115.15 117.43 2h62 h HIS 60 Ca 0.28 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 2h62 h HIS 60 Cb 0.08 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 2h62 h HIS 60 CO -0.00 0.46 0.54 0.00 -1.30 0.00 0.00 177.93 177.63 2h62 h ALA 61 N 0.93 1.54 -0.13 5.26 0.00 -1.76 0.22 119.26 125.32 2h62 h ALA 61 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2h62 h ALA 61 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2h62 h ALA 61 CO -0.00 0.36 0.06 0.82 0.00 0.00 0.00 179.25 180.48 2h62 h ILE 62 N 0.97 1.12 -0.26 0.00 2.04 -0.79 -0.45 117.51 120.15 2h62 h ILE 62 Ca 0.34 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2h62 h ILE 62 Cb 0.12 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2h62 h ILE 62 CO -0.11 0.11 0.12 0.58 0.00 0.00 0.00 178.15 178.85 2h62 h VAL 63 N 0.08 1.15 -0.68 1.67 2.07 -0.47 -1.66 116.25 118.41 2h62 h VAL 63 Ca 0.04 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2h62 h VAL 63 Cb 0.12 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2h62 h VAL 63 CO -0.01 0.16 0.34 -0.61 0.02 0.00 0.00 177.57 177.47 2h62 h GLN 64 N 0.28 0.96 -0.55 1.57 4.15 -0.48 -0.54 115.11 120.48 2h62 h GLN 64 Ca 0.09 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2h62 h GLN 64 Cb 0.14 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2h62 h GLN 64 CO -0.01 0.73 0.04 1.15 -1.93 0.00 0.00 178.83 178.81 2h62 h THR 65 N 0.96 1.26 -0.56 2.39 2.02 -0.78 0.10 112.91 118.30 2h62 h THR 65 Ca 0.24 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 2h62 h THR 65 Cb 0.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2h62 h THR 65 CO -0.03 0.38 0.16 0.25 0.37 0.00 0.00 175.52 176.64 2h62 h LEU 66 N 0.83 0.83 -0.34 2.58 5.85 -0.87 -1.86 115.31 122.33 2h62 h LEU 66 Ca 0.16 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2h62 h LEU 66 Cb 0.48 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2h62 h LEU 66 CO 0.02 0.83 0.09 0.58 -0.34 0.00 0.00 178.44 179.62 2h62 h VAL 67 N 0.79 1.22 -0.21 1.05 2.07 -0.76 -1.53 116.25 118.87 2h62 h VAL 67 Ca 0.18 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2h62 h VAL 67 Cb 0.31 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2h62 h VAL 67 CO -0.00 0.25 0.15 -1.13 0.02 0.00 0.00 177.57 176.85 2h62 h ASN 68 N 0.39 0.12 0.45 0.57 -0.73 -0.62 0.24 115.58 116.00 2h62 h ASN 68 Ca 0.11 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2h62 h ASN 68 Cb 0.29 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.85 2h62 h ASN 68 CO 0.00 0.09 0.00 0.77 -0.37 0.00 0.00 177.43 177.92 2h62 h SER 69 N 0.14 0.00 0.00 1.15 4.64 -0.42 -2.92 113.55 116.15 2h62 h SER 69 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2h62 h SER 69 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2h62 h SER 69 CO -0.01 0.00 -0.12 1.33 -0.87 0.00 0.00 176.83 177.16 2h62 n VAL 70 N -3.01 0.93 -2.90 0.95 0.24 -0.29 -4.88 118.33 109.36 2h62 n VAL 70 Ca -0.01 -1.06 -0.02 0.00 -2.04 0.00 0.00 64.34 61.20 2h62 n VAL 70 Cb 0.17 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 2h62 n VAL 70 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2h62 s ASN 71 N -1.51 -1.39 0.00 -1.34 3.84 -0.08 -5.00 114.94 109.45 2h62 s ASN 71 Ca 0.11 -1.32 0.00 0.00 0.21 0.00 0.00 52.86 51.87 2h62 s ASN 71 Cb 0.10 1.80 0.00 0.00 -0.55 0.00 0.00 41.25 42.60 2h62 s ASN 71 CO 0.01 -0.09 0.86 -1.54 -2.79 0.00 0.00 177.10 173.55 2h62 n SER 72 N 3.42 0.00 0.20 -4.21 3.41 -1.24 -0.34 113.62 114.86 2h62 n SER 72 Ca 0.15 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 2h62 n SER 72 Cb 0.57 -0.37 0.40 0.00 -0.26 0.00 0.00 64.21 64.55 2h62 n SER 72 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2h62 h LYS 73 N 0.00 0.00 -5.28 4.33 1.57 -1.94 -3.41 116.57 111.84 2h62 h LYS 73 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 2h62 h LYS 73 Cb 0.14 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.32 2h62 h LYS 73 CO 0.00 0.00 -0.21 0.42 -0.57 0.00 0.00 179.45 179.09 2h62 s ILE 74 N -3.33 5.18 0.86 1.86 -1.09 0.54 -5.06 121.20 120.16 2h62 s ILE 74 Ca 0.06 0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 59.02 2h62 s ILE 74 Cb 0.08 -3.72 0.11 0.00 -1.58 0.00 0.00 42.46 37.36 2h62 s ILE 74 CO 0.58 0.20 1.11 -2.16 -1.23 0.00 0.00 174.94 173.44 2h62 s PRO 75 N 1.74 1.51 0.79 2.79 0.04 -1.26 -4.47 135.00 136.15 2h62 s PRO 75 Ca 0.17 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2h62 s PRO 75 Cb -0.15 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.65 2h62 s PRO 75 CO 0.09 -2.20 1.13 0.15 0.04 0.00 0.00 177.00 176.21 2h62 s LYS 76 N -4.78 2.10 0.97 4.56 1.02 -1.26 -4.78 119.74 117.57 2h62 s LYS 76 Ca 0.64 0.35 -0.12 0.00 0.02 0.00 0.00 55.97 56.86 2h62 s LYS 76 Cb -0.20 -1.94 0.17 0.00 -0.52 0.00 0.00 37.83 35.34 2h62 s LYS 76 CO 0.57 -1.54 1.08 0.00 -0.92 0.00 0.00 175.35 174.54 2h62 s ALA 77 N -3.38 1.03 0.07 5.17 0.00 -1.26 -5.04 121.76 118.35 2h62 s ALA 77 Ca 0.61 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.57 2h62 s ALA 77 Cb -0.12 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2h62 s ALA 77 CO 0.52 -2.78 -0.24 0.00 0.00 0.00 0.00 175.76 173.26 2h62 s VAL 80 N 3.72 0.02 0.13 0.00 -7.23 -0.28 -4.51 120.40 112.25 2h62 s VAL 80 Ca 0.42 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 2h62 s VAL 80 Cb -0.11 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 2h62 s VAL 80 CO 0.21 -0.07 1.55 -2.84 -0.31 0.00 0.00 175.10 173.64 2h62 s PRO 81 N -4.14 4.23 -0.00 4.82 0.02 -1.26 -1.22 135.00 137.44 2h62 s PRO 81 Ca 0.36 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.74 2h62 s PRO 81 Cb 0.07 -3.27 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 2h62 s PRO 81 CO 0.10 -0.60 0.18 0.25 -0.33 0.00 0.00 177.00 176.60 2h62 n THR 82 N 4.13 0.00 -3.73 0.99 -2.24 0.05 -4.85 114.28 108.64 2h62 n THR 82 Ca 0.14 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2h62 n THR 82 Cb 0.40 0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 69.22 2h62 n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2h62 s GLU 83 N -1.87 0.09 0.11 -0.78 8.01 -1.07 -4.96 118.70 118.23 2h62 s GLU 83 Ca 0.00 0.42 0.02 0.00 0.01 0.00 0.00 54.97 55.42 2h62 s GLU 83 Cb 0.04 -0.19 -0.04 0.00 -4.31 0.00 0.00 34.13 29.62 2h62 s GLU 83 CO 0.22 -0.20 -0.05 -0.51 0.01 0.00 0.00 175.26 174.74 2h62 s LEU 84 N 1.42 2.41 0.28 1.80 1.02 -1.26 -0.12 118.68 124.24 2h62 s LEU 84 Ca -0.07 -1.04 0.04 0.00 0.02 0.00 0.00 54.13 53.08 2h62 s LEU 84 Cb -0.12 -0.05 -0.06 0.00 0.02 0.00 0.00 46.19 45.98 2h62 s LEU 84 CO -0.06 -0.49 0.02 -0.94 0.02 0.00 0.00 176.35 174.89 2h62 s SER 85 N -3.07 2.23 0.36 2.29 1.04 -0.03 -4.77 113.70 111.76 2h62 s SER 85 Ca 0.14 -1.29 0.06 0.00 0.48 0.00 0.00 55.95 55.34 2h62 s SER 85 Cb 0.06 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2h62 s SER 85 CO -0.03 -0.53 0.51 0.00 0.98 0.00 0.00 173.24 174.17 2h62 s ALA 86 N -3.30 4.21 0.04 5.32 0.00 -1.26 -0.80 121.76 125.96 2h62 s ALA 86 Ca 0.33 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 2h62 s ALA 86 Cb 0.07 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2h62 s ALA 86 CO 0.13 -0.12 -0.04 0.96 0.00 0.00 0.00 175.76 176.69 2h62 s ILE 87 N -2.25 0.23 0.14 0.00 -4.36 -0.83 -4.88 121.20 109.26 2h62 s ILE 87 Ca 0.47 -1.34 -0.15 0.00 -0.26 0.00 0.00 60.65 59.37 2h62 s ILE 87 Cb -0.10 -0.87 -0.07 0.00 1.25 0.00 0.00 42.46 42.68 2h62 s ILE 87 CO 0.32 -0.70 0.56 -0.44 0.24 0.00 0.00 174.94 174.92 2h62 s SER 88 N -2.13 6.86 0.03 4.36 0.01 -1.26 -0.98 113.70 120.59 2h62 s SER 88 Ca -0.05 1.12 0.02 0.00 1.31 0.00 0.00 55.95 58.34 2h62 s SER 88 Cb -0.02 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2h62 s SER 88 CO -0.05 0.12 -0.06 -0.04 0.41 0.00 0.00 173.24 173.62 2h62 s MET 89 N -1.87 0.45 -0.13 12.44 -1.94 0.17 -4.47 119.30 123.95 2h62 s MET 89 Ca 0.37 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 2h62 s MET 89 Cb -0.16 -0.23 0.01 0.00 2.01 0.00 0.00 34.83 36.47 2h62 s MET 89 CO 0.19 0.04 -0.21 -1.17 -0.01 0.00 0.00 175.02 173.86 2h62 s LEU 90 N -1.26 2.02 0.17 -0.03 2.96 0.23 -1.51 118.68 121.27 2h62 s LEU 90 Ca -0.09 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2h62 s LEU 90 Cb -0.08 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 2h62 s LEU 90 CO 0.00 0.08 0.19 -0.72 -1.32 0.00 0.00 176.35 174.58 2h62 s TYR 91 N 0.76 0.73 -0.21 5.38 1.13 -0.11 -0.73 117.35 124.31 2h62 s TYR 91 Ca -0.09 -1.07 -0.10 0.00 -1.41 0.00 0.00 57.07 54.41 2h62 s TYR 91 Cb -0.16 -0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.36 2h62 s TYR 91 CO 0.00 -0.66 0.13 -0.51 -2.51 0.00 0.00 175.55 172.00 2h62 s LEU 92 N -3.05 4.11 0.95 -3.49 1.43 0.12 0.48 118.68 119.24 2h62 s LEU 92 Ca 0.25 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 2h62 s LEU 92 Cb 0.05 -2.07 0.21 0.00 0.03 0.00 0.00 46.19 44.41 2h62 s LEU 92 CO 0.04 0.15 1.29 1.51 0.23 0.00 0.00 176.35 179.57 2h62 s ASP 93 N 0.56 3.11 0.55 2.29 1.47 0.17 -4.84 116.67 119.99 2h62 s ASP 93 Ca 0.07 0.07 0.34 0.00 1.18 0.00 0.00 52.55 54.22 2h62 s ASP 93 Cb -0.12 -0.10 1.50 0.00 -0.34 0.00 0.00 42.92 43.86 2h62 s ASP 93 CO 0.00 -2.72 1.80 1.05 0.68 0.00 0.00 175.17 175.99 2h62 h GLU 94 N -1.55 0.00 -0.68 2.11 9.09 -1.99 0.17 114.58 121.74 2h62 h GLU 94 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2h62 h GLU 94 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2h62 h GLU 94 CO 0.34 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.49 2h62 n ASN 95 N -4.07 4.47 -1.83 3.06 5.03 -1.26 -4.89 115.26 115.77 2h62 n ASN 95 Ca 0.22 -2.65 -0.20 0.00 0.87 0.00 0.00 54.58 52.82 2h62 n ASN 95 Cb 1.13 -0.62 -0.05 0.00 -1.02 0.00 0.00 39.78 39.22 2h62 n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2h62 n GLU 96 N 0.53 -1.46 -3.49 3.52 -0.58 0.59 -4.97 120.64 114.77 2h62 n GLU 96 Ca 0.21 1.10 -0.38 0.00 -0.42 0.00 0.00 57.16 57.67 2h62 n GLU 96 Cb 0.93 -5.55 -0.06 0.00 -0.57 0.00 0.00 31.44 26.19 2h62 n GLU 96 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2h62 s LYS 97 N -4.22 4.02 0.01 3.49 2.20 -1.25 -4.82 119.74 119.17 2h62 s LYS 97 Ca 0.00 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 2h62 s LYS 97 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2h62 s LYS 97 CO 0.00 0.54 1.05 0.08 -0.36 0.00 0.00 175.35 176.66 2h62 s VAL 98 N -0.58 4.61 0.00 4.02 1.01 -1.26 -0.65 120.40 127.55 2h62 s VAL 98 Ca 0.23 1.87 0.04 0.00 0.00 0.00 0.00 61.98 64.12 2h62 s VAL 98 Cb -0.16 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2h62 s VAL 98 CO 0.11 0.13 -0.13 -0.69 0.00 0.00 0.00 175.10 174.53 2h62 s VAL 99 N 1.11 1.03 -0.15 2.92 1.01 0.18 -4.96 120.40 121.55 2h62 s VAL 99 Ca 0.54 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2h62 s VAL 99 Cb -0.23 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2h62 s VAL 99 CO 0.28 0.22 0.01 -0.22 0.00 0.00 0.00 175.10 175.39 2h62 s LEU 100 N -0.49 3.56 -0.09 3.92 2.96 -1.26 -0.94 118.68 126.34 2h62 s LEU 100 Ca 0.04 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 2h62 s LEU 100 Cb -0.06 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.81 2h62 s LEU 100 CO -0.00 0.22 0.21 -0.75 -1.32 0.00 0.00 176.35 174.71 2h62 s LYS 101 N 0.07 0.19 -0.58 1.98 2.20 -0.57 -5.02 119.74 118.02 2h62 s LYS 101 Ca 0.03 0.43 -0.20 0.00 -0.36 0.00 0.00 55.97 55.87 2h62 s LYS 101 Cb -0.13 -0.07 0.08 0.00 -1.51 0.00 0.00 37.83 36.21 2h62 s LYS 101 CO 0.02 -0.13 0.72 -0.80 -0.36 0.00 0.00 175.35 174.80 2h62 s ASN 102 N 0.94 6.20 -0.15 1.43 0.01 -1.26 -0.66 114.94 121.44 2h62 s ASN 102 Ca -0.07 -1.20 -0.29 0.00 -0.71 0.00 0.00 52.86 50.59 2h62 s ASN 102 Cb -0.08 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.25 2h62 s ASN 102 CO -0.06 -1.10 1.15 -0.31 -1.51 0.00 0.00 177.10 175.27 2h62 s TYR 103 N 2.89 3.16 0.61 2.20 2.02 -0.15 -4.89 117.35 123.19 2h62 s TYR 103 Ca 0.14 1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 58.00 2h62 s TYR 103 Cb -0.21 -3.37 -0.04 0.00 -0.40 0.00 0.00 41.96 37.93 2h62 s TYR 103 CO 0.09 -1.06 1.02 -0.65 -1.57 0.00 0.00 175.55 173.39 2h62 s GLN 104 N 2.91 3.63 -1.41 -0.62 -1.52 -1.26 -1.97 119.66 119.42 2h62 s GLN 104 Ca 0.51 0.76 -0.03 0.00 -1.95 0.00 0.00 55.36 54.65 2h62 s GLN 104 Cb -0.20 -2.09 0.02 0.00 -0.22 0.00 0.00 33.01 30.53 2h62 s GLN 104 CO 0.14 -0.54 0.62 -0.25 -0.25 0.00 0.00 175.29 175.01 2h62 n ASP 105 N -2.65 -1.43 -0.07 5.90 8.00 -1.21 -4.87 116.55 120.22 2h62 n ASP 105 Ca 0.06 -0.91 -0.04 0.00 0.71 0.00 0.00 54.79 54.61 2h62 n ASP 105 Cb 0.54 -3.50 -0.16 0.00 -0.02 0.00 0.00 41.12 37.98 2h62 n ASP 105 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2h62 n MET 106 N -4.39 0.68 -4.79 -1.24 2.81 0.02 -4.89 117.12 105.32 2h62 n MET 106 Ca -0.23 -0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.29 2h62 n MET 106 Cb 0.65 -1.54 -0.16 0.00 -0.71 0.00 0.00 33.22 31.46 2h62 n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2h62 s VAL 107 N -2.79 2.46 -0.13 2.03 1.01 -0.62 -4.70 120.40 117.66 2h62 s VAL 107 Ca -0.09 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 2h62 s VAL 107 Cb 0.08 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 2h62 s VAL 107 CO 0.85 0.54 1.10 -0.69 0.00 0.00 0.00 175.10 176.89 2h62 s VAL 108 N 0.60 4.56 -0.24 2.92 1.01 -0.11 -0.85 120.40 128.29 2h62 s VAL 108 Ca -0.10 1.86 0.02 0.00 0.00 0.00 0.00 61.98 63.76 2h62 s VAL 108 Cb -0.16 -4.20 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 2h62 s VAL 108 CO 0.03 -0.06 -0.15 -0.62 0.00 0.00 0.00 175.10 174.30 2h62 n GLU 109 N 5.56 0.66 -3.79 2.72 -0.58 0.83 -4.81 120.64 121.24 2h62 n GLU 109 Ca 0.11 0.15 -0.11 0.00 -0.42 0.00 0.00 57.16 56.89 2h62 n GLU 109 Cb 0.47 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.72 2h62 n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2h62 s GLY 110 N -6.37 -0.05 0.30 0.62 0.00 -0.62 -4.96 107.32 96.24 2h62 s GLY 110 Ca -0.32 -0.17 0.10 0.00 0.00 0.00 0.00 44.72 44.33 2h62 s GLY 110 CO 0.63 -0.37 -0.04 0.00 0.00 0.00 0.00 173.10 173.32 2h62 s GLY 112 N -3.66 -0.38 -0.17 0.00 0.00 -0.36 -4.44 107.32 98.31 2h62 s GLY 112 Ca 0.33 0.39 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 2h62 s GLY 112 CO 0.19 0.12 0.56 0.00 0.00 0.00 0.00 173.10 173.97