#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd s SER 2 N 0.00 -0.04 0.00 1.61 1.04 -1.26 -5.05 113.70 110.00 1whd s SER 2 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1whd s SER 2 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1whd s SER 2 CO 0.00 -0.30 0.00 -1.54 0.98 0.00 0.00 173.24 172.38 1whd n SER 3 N 1.82 3.80 0.00 7.02 3.41 -1.26 -5.12 113.62 123.30 1whd n SER 3 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1whd n SER 3 Cb 0.56 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1whd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whd n GLY 4 N 2.82 2.52 3.56 5.00 0.00 -1.26 -5.04 105.19 112.79 1whd n GLY 4 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1whd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd s SER 5 N 0.00 5.98 0.27 1.61 0.01 -1.26 -4.87 113.70 115.45 1whd s SER 5 Ca 0.00 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1whd s SER 5 Cb 0.00 -2.55 0.74 0.00 0.21 0.00 0.00 66.02 64.42 1whd s SER 5 CO 0.00 -1.88 1.33 -1.54 0.41 0.00 0.00 173.24 171.56 1whd n SER 6 N 10.08 -0.03 -1.51 2.44 3.41 -1.26 -4.87 113.62 121.88 1whd n SER 6 Ca 0.10 1.44 -0.00 0.00 -0.26 0.00 0.00 58.87 60.15 1whd n SER 6 Cb 0.50 -0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1whd n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whd n GLY 7 N -1.39 -2.90 1.75 5.00 0.00 -1.26 -4.85 105.19 101.54 1whd n GLY 7 Ca 0.22 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1whd n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1whd n GLU 8 N 0.01 1.50 -0.04 1.61 2.13 -1.26 -4.85 120.64 119.73 1whd n GLU 8 Ca -0.00 -0.51 0.00 0.00 0.66 0.00 0.00 57.16 57.31 1whd n GLU 8 Cb 0.00 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whd n GLY 9 N 1.97 0.74 4.10 8.31 0.00 -1.26 -5.05 105.19 114.00 1whd n GLY 9 Ca 0.21 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 1whd n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whd n ASP 10 N 0.00 -1.68 -2.90 1.61 -0.08 -1.26 -4.93 116.55 107.31 1whd n ASP 10 Ca 0.00 -1.21 -0.11 0.00 -1.51 0.00 0.00 54.79 51.96 1whd n ASP 10 Cb 0.00 -2.08 0.09 0.00 2.34 0.00 0.00 41.12 41.48 1whd n ASP 10 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1whd n PRO 11 N -4.68 -1.81 -3.35 -0.67 -0.04 -1.26 -4.98 135.00 118.21 1whd n PRO 11 Ca -0.23 -0.65 -0.45 0.00 -0.04 0.00 0.00 63.50 62.13 1whd n PRO 11 Cb 0.64 -0.61 -0.05 0.00 -0.04 0.00 0.00 33.50 33.44 1whd n PRO 11 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1whd s GLU 12 N -3.92 3.05 -0.26 0.54 0.41 -1.26 -4.86 118.70 112.41 1whd s GLU 12 Ca 0.26 -1.88 -0.09 0.00 -0.41 0.00 0.00 54.97 52.85 1whd s GLU 12 Cb -0.03 -4.28 -0.13 0.00 -1.78 0.00 0.00 34.13 27.92 1whd s GLU 12 CO 0.20 -1.31 -0.30 0.09 -0.49 0.00 0.00 175.26 173.45 1whd n ASN 13 N 4.93 1.92 -4.77 -0.19 3.02 -1.26 -4.98 115.26 113.92 1whd n ASN 13 Ca -0.07 0.19 -0.37 0.00 -0.03 0.00 0.00 54.58 54.29 1whd n ASN 13 Cb 0.41 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 1whd n ASN 13 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1whd s GLY 14 N -5.74 2.79 0.06 7.41 0.00 -1.26 -4.26 107.32 106.32 1whd s GLY 14 Ca -0.36 0.90 -0.00 0.00 0.00 0.00 0.00 44.72 45.26 1whd s GLY 14 CO 0.49 1.37 -0.04 -1.83 0.00 0.00 0.00 173.10 173.09 1whd s GLU 15 N -2.57 0.64 -0.28 2.90 -1.05 -0.14 -4.98 118.70 113.22 1whd s GLU 15 Ca 0.61 -1.19 -0.24 0.00 -0.15 0.00 0.00 54.97 54.00 1whd s GLU 15 Cb -0.28 0.10 -0.00 0.00 -0.44 0.00 0.00 34.13 33.51 1whd s GLU 15 CO 0.34 -0.08 0.82 0.15 0.95 0.00 0.00 175.26 177.45 1whd s LYS 16 N -3.66 4.06 0.06 -4.83 1.02 -1.26 -2.21 119.74 112.92 1whd s LYS 16 Ca 0.06 0.76 0.07 0.00 0.02 0.00 0.00 55.97 56.88 1whd s LYS 16 Cb 0.06 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1whd s LYS 16 CO -0.08 -0.63 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.03 1whd s LEU 17 N 2.96 2.21 -0.03 3.17 1.43 -0.85 -5.02 118.68 122.55 1whd s LEU 17 Ca 0.34 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1whd s LEU 17 Cb -0.14 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1whd s LEU 17 CO 0.11 0.08 -0.17 -1.58 0.23 0.00 0.00 176.35 175.03 1whd s GLN 18 N -1.38 2.36 -0.04 1.70 0.74 -1.26 -1.74 119.66 120.04 1whd s GLN 18 Ca 0.05 -0.79 0.03 0.00 0.05 0.00 0.00 55.36 54.70 1whd s GLN 18 Cb -0.09 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.73 1whd s GLN 18 CO 0.02 0.60 -0.13 0.42 -0.55 0.00 0.00 175.29 175.65 1whd s ILE 19 N -0.76 1.13 -0.17 -2.34 -1.09 -0.94 -5.02 121.20 112.01 1whd s ILE 19 Ca 0.12 -0.53 -0.04 0.00 -2.23 0.00 0.00 60.65 57.96 1whd s ILE 19 Cb -0.10 -0.99 -0.03 0.00 -1.58 0.00 0.00 42.46 39.75 1whd s ILE 19 CO 0.01 0.34 -0.01 -0.89 -1.23 0.00 0.00 174.94 173.16 1whd s THR 20 N 0.25 4.02 -0.00 2.92 2.01 -1.26 -2.94 115.64 120.62 1whd s THR 20 Ca -0.06 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1whd s THR 20 Cb -0.11 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 1whd s THR 20 CO 0.02 0.47 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.77 1whd s ILE 21 N 0.54 4.00 -0.19 1.82 1.01 -1.15 -4.89 121.20 122.33 1whd s ILE 21 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1whd s ILE 21 Cb -0.14 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1whd s ILE 21 CO 0.02 0.40 -0.09 -0.60 0.00 0.00 0.00 174.94 174.67 1whd s ARG 22 N -1.47 3.32 -0.79 2.79 3.52 -1.26 -3.21 118.95 121.85 1whd s ARG 22 Ca 0.18 -0.67 -0.25 0.00 -0.13 0.00 0.00 55.73 54.86 1whd s ARG 22 Cb -0.11 -2.86 -0.09 0.00 -1.56 0.00 0.00 34.95 30.33 1whd s ARG 22 CO 0.09 -0.10 2.21 0.50 -0.81 0.00 0.00 175.30 177.19 1whd s ARG 23 N 1.19 2.04 -1.02 5.12 3.52 -1.13 -4.78 118.95 123.89 1whd s ARG 23 Ca 0.02 0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 55.75 1whd s ARG 23 Cb -0.14 -4.84 -0.09 0.00 -1.56 0.00 0.00 34.95 28.32 1whd s ARG 23 CO -0.03 -3.87 2.09 0.41 -0.81 0.00 0.00 175.30 173.10 1whd n GLY 24 N 6.69 3.23 2.26 8.12 0.00 -1.26 -4.29 105.19 119.95 1whd n GLY 24 Ca 0.42 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1whd n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whd n LYS 25 N 6.14 -1.72 -3.15 1.61 3.00 -1.26 -4.85 118.16 117.93 1whd n LYS 25 Ca 0.51 0.76 0.05 0.00 -0.00 0.00 0.00 58.31 59.63 1whd n LYS 25 Cb 0.35 -5.20 -0.01 0.00 0.00 0.00 0.00 35.03 30.17 1whd n LYS 25 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1whd s ASP 26 N -2.11 -0.42 0.00 3.14 1.47 -1.26 -5.13 116.67 112.35 1whd s ASP 26 Ca 0.00 0.15 0.00 0.00 1.18 0.00 0.00 52.55 53.88 1whd s ASP 26 Cb 0.00 1.31 0.00 0.00 -0.34 0.00 0.00 42.92 43.89 1whd s ASP 26 CO 0.00 -0.08 0.00 0.61 0.68 0.00 0.00 175.17 176.38 1whd n GLY 27 N 5.30 1.60 0.46 2.12 0.00 -1.26 -4.42 105.19 108.98 1whd n GLY 27 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1whd n GLY 27 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1whd n PHE 28 N 10.66 0.00 0.00 1.61 3.72 -1.26 -4.04 117.46 128.15 1whd n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1whd n PHE 28 Cb 0.00 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1whd n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1whd n GLY 29 N 2.85 3.68 3.87 1.37 0.00 -1.26 -4.14 105.19 111.55 1whd n GLY 29 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1whd n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1whd s PHE 30 N 0.00 3.48 0.09 1.61 -0.71 -1.26 -3.00 117.98 118.19 1whd s PHE 30 Ca 0.00 0.93 0.06 0.00 -1.04 0.00 0.00 56.93 56.87 1whd s PHE 30 Cb 0.00 -2.29 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 1whd s PHE 30 CO 0.00 0.32 -0.04 0.99 -1.34 0.00 0.00 175.22 175.15 1whd s THR 31 N -1.71 3.77 -0.14 -4.49 2.01 -0.19 -4.96 115.64 109.93 1whd s THR 31 Ca 0.44 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1whd s THR 31 Cb -0.12 -2.78 0.06 0.00 0.01 0.00 0.00 72.50 69.67 1whd s THR 31 CO 0.20 0.12 0.32 0.27 -0.69 0.00 0.00 174.62 174.84 1whd s ILE 32 N -1.27 -0.30 -0.19 1.82 -4.36 -1.26 -2.86 121.20 112.78 1whd s ILE 32 Ca 0.24 0.19 -0.07 0.00 -0.26 0.00 0.00 60.65 60.75 1whd s ILE 32 Cb -0.11 -0.50 0.08 0.00 1.25 0.00 0.00 42.46 43.18 1whd s ILE 32 CO 0.16 0.08 0.40 0.00 0.24 0.00 0.00 174.94 175.83 1whd s ASP 35 N -3.26 5.00 -0.25 0.00 1.01 -1.26 -1.62 116.67 116.29 1whd s ASP 35 Ca 0.20 -0.06 -0.24 0.00 0.71 0.00 0.00 52.55 53.16 1whd s ASP 35 Cb 0.05 -1.78 -0.10 0.00 1.01 0.00 0.00 42.92 42.10 1whd s ASP 35 CO -0.05 0.19 0.82 -1.54 0.21 0.00 0.00 175.17 174.80 1whd n SER 36 N 3.38 0.61 -4.77 0.27 3.41 -1.06 -4.06 113.62 111.39 1whd n SER 36 Ca -0.17 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 58.69 1whd n SER 36 Cb 0.52 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1whd s PRO 37 N 1.56 3.25 0.42 4.33 0.04 -1.25 -4.94 135.00 138.41 1whd s PRO 37 Ca 0.53 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 1whd s PRO 37 Cb -0.76 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 1whd s PRO 37 CO 0.41 -0.93 0.92 0.08 0.04 0.00 0.00 177.00 177.52 1whd s VAL 38 N -1.88 4.46 0.08 -0.36 1.01 -1.25 -4.91 120.40 117.54 1whd s VAL 38 Ca 0.72 1.36 -0.05 0.00 0.00 0.00 0.00 61.98 64.00 1whd s VAL 38 Cb -0.23 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1whd s VAL 38 CO 0.30 -0.34 0.10 -0.60 0.00 0.00 0.00 175.10 174.55 1whd s ARG 39 N -3.26 0.76 0.31 2.72 3.52 -1.26 -2.89 118.95 118.85 1whd s ARG 39 Ca 0.60 -1.09 -0.20 0.00 -0.13 0.00 0.00 55.73 54.92 1whd s ARG 39 Cb -0.09 0.29 -0.09 0.00 -1.56 0.00 0.00 34.95 33.49 1whd s ARG 39 CO 0.16 -0.21 0.81 0.08 -0.81 0.00 0.00 175.30 175.33 1whd s VAL 40 N -3.89 4.51 -0.20 7.11 1.01 -0.63 -2.95 120.40 125.36 1whd s VAL 40 Ca 0.07 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.40 1whd s VAL 40 Cb 0.06 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 1whd s VAL 40 CO -0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 175.10 174.85 1whd n GLN 41 N 0.11 0.72 -3.60 2.72 10.64 -1.13 -3.64 117.38 123.19 1whd n GLN 41 Ca 0.02 0.09 -0.03 0.00 -1.83 0.00 0.00 57.00 55.25 1whd n GLN 41 Cb 0.52 -1.43 -0.02 0.00 -0.86 0.00 0.00 30.24 28.46 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1whd s ALA 42 N -2.42 -2.12 -0.04 2.61 0.00 -1.22 -4.77 121.76 113.80 1whd s ALA 42 Ca -0.24 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1whd s ALA 42 Cb 0.07 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1whd s ALA 42 CO 0.54 -0.72 -0.09 0.08 0.00 0.00 0.00 175.76 175.57 1whd s VAL 43 N -2.42 0.81 0.05 0.00 1.01 -1.26 -1.02 120.40 117.57 1whd s VAL 43 Ca 0.11 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1whd s VAL 43 Cb 0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1whd s VAL 43 CO -0.04 0.27 1.40 -0.62 0.00 0.00 0.00 175.10 176.11 1whd s ASP 44 N 0.43 6.84 -0.27 3.32 -1.08 -1.16 -4.96 116.67 119.79 1whd s ASP 44 Ca -0.07 2.20 -0.29 0.00 -0.52 0.00 0.00 52.55 53.87 1whd s ASP 44 Cb -0.11 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 1whd s ASP 44 CO 0.01 -0.69 1.37 -0.55 0.52 0.00 0.00 175.17 175.83 1whd s SER 45 N 1.61 6.63 0.00 -0.34 0.15 -1.26 -2.90 113.70 117.59 1whd s SER 45 Ca 0.64 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1whd s SER 45 Cb -0.34 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 1whd s SER 45 CO 0.28 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1whd n GLY 46 N 4.33 1.87 3.28 9.45 0.00 -1.26 -5.08 105.19 117.77 1whd n GLY 46 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1whd n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whd n GLY 47 N -0.07 -2.64 0.00 -0.02 0.00 -1.14 -4.64 105.19 96.67 1whd n GLY 47 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.02 1whd n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whd n PRO 48 N -3.50 0.10 -0.02 1.61 -0.04 -1.26 -2.60 135.00 129.29 1whd n PRO 48 Ca 0.04 0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1whd n PRO 48 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1whd n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whd n ALA 49 N -1.40 0.85 0.04 0.55 0.00 -1.26 -3.46 120.51 115.83 1whd n ALA 49 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1whd n ALA 49 Cb 0.14 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 1whd n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1whd h GLU 50 N -0.22 -0.12 -0.50 0.00 4.81 -1.71 -1.07 114.58 115.77 1whd h GLU 50 Ca -0.41 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.90 1whd h GLU 50 Cb 1.84 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.19 1whd h GLU 50 CO 0.01 0.28 0.20 0.00 -0.73 0.00 0.00 179.01 178.77 1whd h ARG 51 N -0.56 0.38 -0.01 1.92 3.08 -1.71 -2.69 114.38 114.78 1whd h ARG 51 Ca -0.01 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1whd h ARG 51 Cb 0.46 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1whd h ARG 51 CO 0.02 0.25 -0.30 0.00 -1.07 0.00 0.00 179.97 178.87 1whd h ALA 52 N 1.32 -0.43 0.00 0.04 0.00 -1.58 -3.46 119.26 115.16 1whd h ALA 52 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1whd h ALA 52 Cb 0.24 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1whd h ALA 52 CO -0.23 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.62 1whd n GLY 53 N -1.40 0.00 3.64 0.00 0.00 -1.01 -5.01 105.19 101.40 1whd n GLY 53 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1whd n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1whd s LEU 54 N 0.00 3.84 -0.13 0.99 0.20 -0.43 -4.89 118.68 118.27 1whd s LEU 54 Ca 0.00 0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.91 1whd s LEU 54 Cb 0.00 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 1whd s LEU 54 CO 0.00 0.16 -0.16 -1.58 -0.29 0.00 0.00 176.35 174.48 1whd s GLN 55 N 0.44 3.28 1.18 1.98 0.74 -1.26 -4.57 119.66 121.44 1whd s GLN 55 Ca 0.04 -0.74 -0.13 0.00 0.05 0.00 0.00 55.36 54.57 1whd s GLN 55 Cb -0.12 -2.54 0.29 0.00 1.10 0.00 0.00 33.01 31.73 1whd s GLN 55 CO 0.00 0.18 1.02 1.14 -0.55 0.00 0.00 175.29 177.09 1whd s GLN 56 N 0.41 -1.03 -1.30 1.67 -2.07 -1.26 -3.83 119.66 112.24 1whd s GLN 56 Ca -0.12 0.87 -0.07 0.00 -1.82 0.00 0.00 55.36 54.22 1whd s GLN 56 Cb -0.16 -1.54 0.01 0.00 -1.09 0.00 0.00 33.01 30.23 1whd s GLN 56 CO 0.06 -3.81 1.12 1.28 -1.32 0.00 0.00 175.29 172.63 1whd n LEU 57 N -4.98 -3.54 -4.56 2.60 4.77 -1.24 -4.99 117.00 105.07 1whd n LEU 57 Ca 0.03 -0.55 -0.26 0.00 -0.03 0.00 0.00 56.01 55.19 1whd n LEU 57 Cb 0.54 -3.02 -0.09 0.00 -2.33 0.00 0.00 43.42 38.52 1whd n LEU 57 CO 0.57 0.58 -0.42 -0.62 -1.33 0.00 0.00 177.39 176.17 1whd s ASP 58 N -3.57 4.16 -0.31 -1.43 -1.08 -1.25 -4.87 116.67 108.32 1whd s ASP 58 Ca 0.44 -0.63 -0.11 0.00 -0.52 0.00 0.00 52.55 51.73 1whd s ASP 58 Cb -0.19 -0.67 -0.02 0.00 -1.46 0.00 0.00 42.92 40.58 1whd s ASP 58 CO 0.72 0.10 0.19 -0.89 0.52 0.00 0.00 175.17 175.80 1whd s THR 59 N -1.77 4.95 -0.01 1.71 2.01 -1.26 -1.60 115.64 119.67 1whd s THR 59 Ca 0.25 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1whd s THR 59 Cb -0.08 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1whd s THR 59 CO 0.15 0.08 1.50 -0.69 -0.69 0.00 0.00 174.62 174.97 1whd s VAL 60 N 1.68 3.57 -0.12 3.82 1.01 -1.14 -3.17 120.40 126.04 1whd s VAL 60 Ca 0.06 0.91 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 1whd s VAL 60 Cb -0.17 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1whd s VAL 60 CO 0.08 -0.02 -0.18 0.18 0.00 0.00 0.00 175.10 175.16 1whd n LEU 61 N 5.84 1.53 -3.91 3.92 4.77 -0.63 -4.51 117.00 124.01 1whd n LEU 61 Ca 0.15 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1whd n LEU 61 Cb 0.43 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1whd n LEU 61 CO 0.60 -0.44 -0.27 0.00 -1.33 0.00 0.00 177.39 175.94 1whd s GLN 62 N -2.16 0.31 0.00 3.23 -2.07 -1.24 -2.37 119.66 115.36 1whd s GLN 62 Ca -0.15 -0.35 0.07 0.00 -1.82 0.00 0.00 55.36 53.11 1whd s GLN 62 Cb 0.02 0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 32.04 1whd s GLN 62 CO 0.22 -0.06 -0.23 -1.17 -1.32 0.00 0.00 175.29 172.73 1whd s LEU 63 N -1.05 2.08 -1.74 2.60 2.96 0.18 -0.46 118.68 123.25 1whd s LEU 63 Ca -0.11 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.16 1whd s LEU 63 Cb -0.07 -1.16 0.17 0.00 0.50 0.00 0.00 46.19 45.63 1whd s LEU 63 CO 0.00 0.26 0.62 0.59 -1.32 0.00 0.00 176.35 176.50 1whd n ASN 64 N 2.30 -2.12 -2.06 3.68 5.03 0.03 0.18 115.26 122.29 1whd n ASN 64 Ca -0.16 -1.13 -0.16 0.00 0.87 0.00 0.00 54.58 54.00 1whd n ASN 64 Cb 0.52 -2.21 0.01 0.00 -1.02 0.00 0.00 39.78 37.08 1whd n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1whd n GLU 65 N -4.28 -2.43 -4.33 3.52 1.02 -1.26 -5.01 120.64 107.88 1whd n GLU 65 Ca 0.03 0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 57.72 1whd n GLU 65 Cb 0.51 -5.13 -0.14 0.00 -0.02 0.00 0.00 31.44 26.66 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1whd s ARG 66 N -5.08 0.79 0.02 3.49 0.52 0.47 -5.12 118.95 114.02 1whd s ARG 66 Ca 0.11 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1whd s ARG 66 Cb -0.05 -0.75 -0.06 0.00 0.52 0.00 0.00 34.95 34.62 1whd s ARG 66 CO 0.13 0.19 1.44 -1.25 0.02 0.00 0.00 175.30 175.83 1whd s PRO 67 N -0.72 4.27 -0.05 3.54 0.04 -1.26 0.48 135.00 141.30 1whd s PRO 67 Ca 0.01 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.23 1whd s PRO 67 Cb -0.06 -3.56 0.29 0.00 0.04 0.00 0.00 34.50 31.21 1whd s PRO 67 CO 0.00 -0.59 1.13 1.33 0.04 0.00 0.00 177.00 178.91 1whd n VAL 68 N 4.63 0.60 0.05 -0.36 0.24 -1.00 -4.83 118.33 117.66 1whd n VAL 68 Ca 0.13 -1.25 -0.01 0.00 -2.04 0.00 0.00 64.34 61.18 1whd n VAL 68 Cb 0.43 0.50 0.29 0.00 -1.47 0.00 0.00 33.84 33.59 1whd n VAL 68 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1whd h GLU 69 N 0.60 0.39 -0.60 7.34 5.08 -1.77 -2.83 114.58 122.79 1whd h GLU 69 Ca -0.10 -0.11 -0.37 0.00 -1.00 0.00 0.00 59.36 57.78 1whd h GLU 69 Cb 1.50 -0.04 -0.23 0.00 0.50 0.00 0.00 28.75 30.48 1whd h GLU 69 CO 0.04 0.55 -0.04 -2.39 -1.00 0.00 0.00 179.01 176.17 1whd n HIS 70 N -4.20 1.96 -4.04 4.33 1.44 -1.26 -3.89 115.22 109.55 1whd n HIS 70 Ca -0.00 -2.01 -0.33 0.00 -2.01 0.00 0.00 57.72 53.37 1whd n HIS 70 Cb 0.33 -0.65 -0.06 0.00 0.12 0.00 0.00 29.99 29.72 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1whd s TRP 71 N -3.44 3.36 0.21 -1.40 0.52 -1.07 -4.84 118.94 112.27 1whd s TRP 71 Ca 0.50 0.25 0.05 0.00 0.02 0.00 0.00 56.10 56.92 1whd s TRP 71 Cb 0.43 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1whd s TRP 71 CO 0.01 0.58 0.27 0.15 0.02 0.00 0.00 176.95 177.98 1whd s LYS 72 N -1.79 3.25 0.15 4.98 1.02 -1.26 -2.57 119.74 123.51 1whd s LYS 72 Ca 0.24 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 1whd s LYS 72 Cb -0.12 -2.80 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1whd s LYS 72 CO 0.15 0.46 1.31 0.00 -0.92 0.00 0.00 175.35 176.35 1whd h VAL 74 N 0.00 1.01 -0.09 0.00 3.04 -1.95 0.51 116.25 118.77 1whd h VAL 74 Ca 0.17 -0.04 -0.20 0.00 -1.01 0.00 0.00 66.70 65.62 1whd h VAL 74 Cb 0.38 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1whd h VAL 74 CO -0.81 0.01 -0.76 -0.08 -1.01 0.00 0.00 177.57 174.93 1whd h GLU 75 N 0.04 0.50 0.00 4.17 4.57 0.27 -3.26 114.58 120.86 1whd h GLU 75 Ca 0.01 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1whd h GLU 75 Cb 0.01 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1whd h GLU 75 CO -0.00 1.05 -0.19 1.25 -1.18 0.00 0.00 179.01 179.94 1whd h LEU 76 N 0.33 0.00 -0.93 1.64 5.85 0.96 -3.34 115.31 119.82 1whd h LEU 76 Ca -0.04 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.00 1whd h LEU 76 Cb 1.35 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.29 1whd h LEU 76 CO 0.14 0.57 0.60 0.00 -0.34 0.00 0.00 178.44 179.41 1whd n ALA 77 N -3.07 0.92 -0.00 1.25 0.00 0.17 0.23 120.51 120.01 1whd n ALA 77 Ca -0.03 0.59 -0.12 0.00 0.00 0.00 0.00 53.44 53.88 1whd n ALA 77 Cb 0.10 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 1whd n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whd h HIS 78 N 0.00 0.07 -0.58 0.00 3.86 -1.69 -0.89 115.15 115.91 1whd h HIS 78 Ca 0.59 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.79 1whd h HIS 78 Cb 1.91 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.34 1whd h HIS 78 CO -0.00 0.32 0.36 1.49 0.86 0.00 0.00 177.93 180.96 1whd h GLU 79 N -0.20 0.78 0.38 2.45 4.57 0.28 -0.35 114.58 122.49 1whd h GLU 79 Ca 0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1whd h GLU 79 Cb 0.29 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1whd h GLU 79 CO 0.00 0.55 -0.18 0.82 -1.18 0.00 0.00 179.01 179.02 1whd h ILE 80 N 0.79 0.63 -0.79 2.32 2.04 -1.29 -3.00 117.51 118.21 1whd h ILE 80 Ca 0.21 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1whd h ILE 80 Cb -0.04 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1whd h ILE 80 CO -0.04 0.03 0.47 0.03 0.00 0.00 0.00 178.15 178.64 1whd h ARG 81 N -0.59 0.83 -0.79 2.37 3.08 -1.05 -2.54 114.38 115.69 1whd h ARG 81 Ca -0.05 -0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.15 1whd h ARG 81 Cb 0.44 -0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.15 1whd h ARG 81 CO 0.09 0.55 -0.03 0.45 -1.07 0.00 0.00 179.97 179.95 1whd n SER 82 N -4.69 -0.14 -4.28 7.04 2.88 -0.15 -3.07 113.62 111.20 1whd n SER 82 Ca 0.11 1.35 -0.44 0.00 -1.33 0.00 0.00 58.87 58.56 1whd n SER 82 Cb 0.19 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 63.12 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whd h PRO 84 N 8.75 -0.03 0.00 0.00 0.13 -1.77 -3.37 132.00 135.71 1whd h PRO 84 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1whd h PRO 84 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1whd h PRO 84 CO 0.98 0.44 0.00 0.43 -0.23 0.00 0.00 178.00 179.62 1whd n SER 85 N -4.88 0.00 -4.24 1.44 7.64 -1.26 -4.48 113.62 107.84 1whd n SER 85 Ca -0.08 0.74 -0.14 0.00 1.01 0.00 0.00 58.87 60.40 1whd n SER 85 Cb 0.25 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 1whd n SER 85 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1whd s GLU 86 N -1.97 1.26 -0.20 1.43 8.01 -1.26 -2.82 118.70 123.16 1whd s GLU 86 Ca 0.00 -1.67 -0.13 0.00 0.01 0.00 0.00 54.97 53.18 1whd s GLU 86 Cb 0.00 0.06 0.06 0.00 -4.31 0.00 0.00 34.13 29.94 1whd s GLU 86 CO 0.00 -0.34 0.50 0.96 0.01 0.00 0.00 175.26 176.39 1whd s ILE 87 N -3.99 -0.01 -0.19 -1.63 -5.25 -1.20 -4.70 121.20 104.23 1whd s ILE 87 Ca 0.37 0.05 -0.07 0.00 -0.99 0.00 0.00 60.65 60.01 1whd s ILE 87 Cb 0.07 -0.72 -0.04 0.00 2.95 0.00 0.00 42.46 44.72 1whd s ILE 87 CO 0.12 0.02 0.05 -0.63 -1.79 0.00 0.00 174.94 172.71 1whd s ILE 88 N 1.15 4.61 -0.03 8.37 1.01 -1.26 -2.95 121.20 132.11 1whd s ILE 88 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1whd s ILE 88 Cb -0.06 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1whd s ILE 88 CO -0.11 0.45 -0.07 -1.48 0.00 0.00 0.00 174.94 173.73 1whd s LEU 89 N 0.55 1.66 -0.08 2.97 2.34 -1.15 -0.79 118.68 124.19 1whd s LEU 89 Ca 0.02 -0.15 -0.04 0.00 0.06 0.00 0.00 54.13 54.02 1whd s LEU 89 Cb -0.13 -0.46 -0.04 0.00 -0.56 0.00 0.00 46.19 45.00 1whd s LEU 89 CO 0.01 0.02 0.10 -0.22 -1.06 0.00 0.00 176.35 175.21 1whd s LEU 90 N 0.39 4.12 0.20 1.48 2.96 0.39 -2.21 118.68 126.02 1whd s LEU 90 Ca -0.06 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1whd s LEU 90 Cb -0.10 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1whd s LEU 90 CO 0.00 0.36 0.25 0.68 -1.32 0.00 0.00 176.35 176.32 1whd s VAL 91 N -1.06 0.02 -0.10 1.68 -7.23 -0.71 -1.61 120.40 111.39 1whd s VAL 91 Ca 0.17 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1whd s VAL 91 Cb -0.12 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1whd s VAL 91 CO 0.07 -0.11 0.00 0.86 -0.31 0.00 0.00 175.10 175.61 1whd s TRP 92 N -4.07 3.15 0.00 2.82 -0.11 -1.19 -2.02 118.94 117.52 1whd s TRP 92 Ca 0.29 0.11 0.06 0.00 1.22 0.00 0.00 56.10 57.78 1whd s TRP 92 Cb 0.04 -1.84 -0.02 0.00 -1.50 0.00 0.00 33.47 30.16 1whd s TRP 92 CO 0.08 0.37 -0.19 0.50 -4.62 0.00 0.00 176.95 173.09 1whd s ARG 93 N -0.59 1.44 -0.03 5.86 3.52 -0.94 -4.46 118.95 123.76 1whd s ARG 93 Ca 0.10 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 55.05 1whd s ARG 93 Cb -0.12 -1.43 -0.02 0.00 -1.56 0.00 0.00 34.95 31.82 1whd s ARG 93 CO 0.02 0.38 -0.23 0.54 -0.81 0.00 0.00 175.30 175.21 1whd s VAL 94 N -0.53 2.33 0.20 7.11 0.11 -1.26 -0.96 120.40 127.39 1whd s VAL 94 Ca 0.07 -1.01 0.09 0.00 -2.93 0.00 0.00 61.98 58.20 1whd s VAL 94 Cb -0.07 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1whd s VAL 94 CO -0.00 0.58 -0.19 -0.94 -3.33 0.00 0.00 175.10 171.22 1whd s SER 95 N -0.65 2.95 0.00 3.54 1.04 -1.26 -4.94 113.70 114.38 1whd s SER 95 Ca 0.10 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1whd s SER 95 Cb -0.10 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1whd s SER 95 CO -0.01 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1whd n GLY 96 N -0.01 -0.22 3.62 7.32 0.00 -1.26 -4.66 105.19 109.97 1whd n GLY 96 Ca -0.11 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1whd n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whd s PRO 97 N -1.87 3.67 0.36 1.61 0.04 -1.26 -5.00 135.00 132.55 1whd s PRO 97 Ca 0.00 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 1whd s PRO 97 Cb 0.00 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 1whd s PRO 97 CO 0.00 -1.44 0.58 0.45 0.04 0.00 0.00 177.00 176.62 1whd s SER 98 N 4.62 6.29 0.29 6.66 0.15 -1.26 -4.98 113.70 125.47 1whd s SER 98 Ca 0.72 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.88 1whd s SER 98 Cb -0.23 -2.06 0.65 0.00 -1.71 0.00 0.00 66.02 62.67 1whd s SER 98 CO 0.30 -0.33 1.60 -1.28 1.20 0.00 0.00 173.24 174.73 1whd h SER 99 N 0.71 -0.41 0.00 5.45 0.87 -2.08 -3.57 113.55 114.51 1whd h SER 99 Ca -0.49 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1whd h SER 99 Cb 1.22 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 1whd h SER 99 CO 0.61 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.24