#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 6.30 0.06 1.61 0.15 -1.26 -5.02 113.70 115.54 1whd s SER 2 Ca 0.00 -0.00 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 1whd s SER 2 Cb 0.00 -2.25 0.09 0.00 -1.71 0.00 0.00 66.02 62.14 1whd s SER 2 CO 0.00 -0.42 0.98 -0.94 1.20 0.00 0.00 173.24 174.06 1whd s SER 3 N 1.73 -0.23 -0.09 5.45 1.04 -1.26 -5.17 113.70 115.18 1whd s SER 3 Ca 0.17 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 1whd s SER 3 Cb -0.16 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1whd s SER 3 CO 0.12 -0.71 -0.00 -0.83 0.98 0.00 0.00 173.24 172.80 1whd s GLY 4 N -2.75 1.84 0.01 7.32 0.00 -1.26 -5.11 107.32 107.37 1whd s GLY 4 Ca 0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1whd s GLY 4 CO -0.03 -0.57 0.06 -0.56 0.00 0.00 0.00 173.10 172.01 1whd s SER 5 N -0.87 0.10 -0.21 1.64 0.01 -1.26 -5.15 113.70 107.97 1whd s SER 5 Ca 0.13 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 57.03 1whd s SER 5 Cb -0.11 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1whd s SER 5 CO 0.02 -0.31 0.06 -0.44 0.41 0.00 0.00 173.24 172.99 1whd s SER 6 N -1.27 5.39 -0.27 2.44 0.01 -1.26 -4.94 113.70 113.80 1whd s SER 6 Ca -0.14 -0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.16 1whd s SER 6 Cb -0.08 -1.94 0.27 0.00 0.21 0.00 0.00 66.02 64.48 1whd s SER 6 CO 0.00 0.10 1.21 0.61 0.41 0.00 0.00 173.24 175.56 1whd n GLY 7 N 4.06 0.84 3.99 3.44 0.00 -1.26 -5.15 105.19 111.11 1whd n GLY 7 Ca -0.16 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 1whd n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1whd s GLU 8 N 0.10 3.04 0.00 1.61 1.03 -1.26 -5.02 118.70 118.20 1whd s GLU 8 Ca 0.09 -1.02 0.00 0.00 0.03 0.00 0.00 54.97 54.07 1whd s GLU 8 Cb 0.29 -2.78 0.00 0.00 -0.80 0.00 0.00 34.13 30.83 1whd s GLU 8 CO -0.08 -0.05 0.00 0.41 -1.33 0.00 0.00 175.26 174.22 1whd n GLY 9 N -1.73 -1.89 3.73 -3.83 0.00 -1.26 -5.12 105.19 95.08 1whd n GLY 9 Ca 0.02 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 1whd n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1whd s ASP 10 N -0.32 7.27 1.05 1.61 -4.77 -1.26 -5.04 116.67 115.21 1whd s ASP 10 Ca 0.00 2.02 -0.14 0.00 -3.30 0.00 0.00 52.55 51.14 1whd s ASP 10 Cb 0.00 -2.60 0.22 0.00 -1.09 0.00 0.00 42.92 39.45 1whd s ASP 10 CO 0.00 -0.25 1.10 -2.16 0.70 0.00 0.00 175.17 174.56 1whd s PRO 11 N -0.03 -0.02 -0.41 2.11 0.04 -1.26 -5.00 135.00 130.43 1whd s PRO 11 Ca 0.51 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1whd s PRO 11 Cb -0.28 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1whd s PRO 11 CO 0.33 -3.00 0.50 -1.83 0.04 0.00 0.00 177.00 173.03 1whd s GLU 12 N -5.06 3.25 -0.21 4.56 -1.05 -1.26 -4.93 118.70 114.01 1whd s GLU 12 Ca 0.67 -0.55 -0.19 0.00 -0.15 0.00 0.00 54.97 54.75 1whd s GLU 12 Cb -0.17 -3.93 -0.16 0.00 -0.44 0.00 0.00 34.13 29.44 1whd s GLU 12 CO 0.57 -0.84 0.08 0.27 0.95 0.00 0.00 175.26 176.30 1whd n ASN 13 N 5.78 1.86 -4.48 0.83 0.23 -1.26 -4.99 115.26 113.24 1whd n ASN 13 Ca -0.06 0.44 -0.26 0.00 -0.53 0.00 0.00 54.58 54.18 1whd n ASN 13 Cb 0.48 -0.93 -0.10 0.00 -2.08 0.00 0.00 39.78 37.14 1whd n ASN 13 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1whd s GLY 14 N -4.85 1.76 0.04 4.83 0.00 -1.26 -1.79 107.32 106.06 1whd s GLY 14 Ca -0.28 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 42.77 1whd s GLY 14 CO 0.52 -1.74 -0.06 1.85 0.00 0.00 0.00 173.10 173.68 1whd s GLU 15 N -3.03 0.48 -0.20 2.90 2.56 -0.34 -4.96 118.70 116.12 1whd s GLU 15 Ca 0.25 -0.75 -0.29 0.00 0.00 0.00 0.00 54.97 54.18 1whd s GLU 15 Cb -0.07 -0.17 -0.02 0.00 2.00 0.00 0.00 34.13 35.87 1whd s GLU 15 CO 0.13 0.02 1.37 0.15 -0.56 0.00 0.00 175.26 176.37 1whd s LYS 16 N -1.69 4.07 -0.10 4.30 1.02 -1.26 -3.27 119.74 122.81 1whd s LYS 16 Ca -0.10 1.60 0.01 0.00 0.02 0.00 0.00 55.97 57.50 1whd s LYS 16 Cb -0.09 -3.86 0.02 0.00 -0.52 0.00 0.00 37.83 33.38 1whd s LYS 16 CO -0.00 -0.92 -0.10 -0.51 -0.92 0.00 0.00 175.35 172.89 1whd s LEU 17 N 4.05 1.44 0.21 3.17 1.43 -1.16 -5.04 118.68 122.78 1whd s LEU 17 Ca 0.60 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1whd s LEU 17 Cb -0.22 -0.88 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 1whd s LEU 17 CO 0.21 -0.05 0.73 -1.58 0.23 0.00 0.00 176.35 175.89 1whd s GLN 18 N 1.25 4.29 -0.20 1.70 0.74 -1.26 -3.23 119.66 122.94 1whd s GLN 18 Ca -0.03 0.90 -0.01 0.00 0.05 0.00 0.00 55.36 56.27 1whd s GLN 18 Cb -0.14 -2.93 0.06 0.00 1.10 0.00 0.00 33.01 31.10 1whd s GLN 18 CO -0.04 0.42 -0.01 0.42 -0.55 0.00 0.00 175.29 175.53 1whd s ILE 19 N -1.47 0.99 -0.40 -2.34 -1.09 -0.71 -5.01 121.20 111.17 1whd s ILE 19 Ca 0.42 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.88 1whd s ILE 19 Cb -0.17 -1.34 0.01 0.00 -1.58 0.00 0.00 42.46 39.38 1whd s ILE 19 CO 0.21 -0.09 0.42 -0.89 -1.23 0.00 0.00 174.94 173.37 1whd s THR 20 N 1.65 5.10 0.15 2.92 2.01 -1.26 -3.03 115.64 123.18 1whd s THR 20 Ca -0.02 -0.24 -0.24 0.00 0.31 0.00 0.00 61.69 61.50 1whd s THR 20 Cb -0.17 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 1whd s THR 20 CO -0.07 -0.35 0.73 -0.63 -0.69 0.00 0.00 174.62 173.61 1whd s ILE 21 N 2.12 4.45 -0.21 1.82 1.01 -0.91 -4.74 121.20 124.74 1whd s ILE 21 Ca 0.12 1.58 -0.03 0.00 0.00 0.00 0.00 60.65 62.33 1whd s ILE 21 Cb -0.17 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 1whd s ILE 21 CO 0.13 0.51 -0.08 -0.60 0.00 0.00 0.00 174.94 174.91 1whd s ARG 22 N -1.20 3.32 -0.49 2.79 3.52 -1.26 -2.78 118.95 122.85 1whd s ARG 22 Ca 0.35 -0.66 -0.39 0.00 -0.13 0.00 0.00 55.73 54.90 1whd s ARG 22 Cb -0.22 -2.90 -0.17 0.00 -1.56 0.00 0.00 34.95 30.09 1whd s ARG 22 CO 0.24 -0.16 1.97 -2.13 -0.81 0.00 0.00 175.30 174.41 1whd n ARG 23 N 4.66 0.00 0.00 5.12 0.63 -1.06 -4.76 116.66 121.25 1whd n ARG 23 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1whd n ARG 23 Cb 0.51 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 32.07 1whd n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whd n GLY 24 N 6.68 1.65 3.55 5.14 0.00 -1.26 -4.86 105.19 116.09 1whd n GLY 24 Ca 0.50 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1whd n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whd s LYS 25 N 1.27 2.23 -1.61 1.61 -0.14 -1.26 -3.19 119.74 118.65 1whd s LYS 25 Ca 0.00 1.01 -0.18 0.00 -1.36 0.00 0.00 55.97 55.43 1whd s LYS 25 Cb 0.00 -4.57 0.17 0.00 -1.68 0.00 0.00 37.83 31.75 1whd s LYS 25 CO 0.00 -3.23 0.65 -0.25 -0.76 0.00 0.00 175.35 171.76 1whd n ASP 26 N 15.13 -2.80 0.00 2.83 8.00 -1.26 -4.13 116.55 134.32 1whd n ASP 26 Ca 0.33 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1whd n ASP 26 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.29 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1whd n GLY 27 N -1.21 -0.51 2.46 0.44 0.00 -1.19 -4.81 105.19 100.37 1whd n GLY 27 Ca 0.08 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.54 0.15 -0.78 1.61 3.72 -1.26 -4.31 117.46 116.06 1whd n PHE 28 Ca 0.00 0.10 -0.12 0.00 -0.05 0.00 0.00 57.45 57.38 1whd n PHE 28 Cb 0.00 -0.85 -0.11 0.00 -0.94 0.00 0.00 39.48 37.58 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 4.13 2.66 3.11 1.37 0.00 -1.26 -4.77 105.19 110.44 1whd n GLY 29 Ca 0.47 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 1.75 -0.06 0.05 1.61 -0.71 -1.26 -2.27 117.98 117.10 1whd s PHE 30 Ca 0.50 0.11 0.05 0.00 -1.04 0.00 0.00 56.93 56.54 1whd s PHE 30 Cb 0.22 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1whd s PHE 30 CO -0.01 -0.24 -0.05 0.99 -1.34 0.00 0.00 175.22 174.57 1whd s THR 31 N -0.92 3.73 -0.24 -4.49 2.01 -0.87 -5.02 115.64 109.85 1whd s THR 31 Ca -0.10 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1whd s THR 31 Cb -0.05 -2.71 0.10 0.00 0.01 0.00 0.00 72.50 69.85 1whd s THR 31 CO 0.01 0.24 0.54 0.27 -0.69 0.00 0.00 174.62 174.99 1whd s ILE 32 N -1.15 -0.62 -0.21 1.82 -4.36 -1.26 -2.50 121.20 112.91 1whd s ILE 32 Ca 0.21 0.07 -0.08 0.00 -0.26 0.00 0.00 60.65 60.60 1whd s ILE 32 Cb -0.11 -0.83 0.09 0.00 1.25 0.00 0.00 42.46 42.86 1whd s ILE 32 CO 0.13 0.03 0.45 0.00 0.24 0.00 0.00 174.94 175.79 1whd n ASP 35 N 4.43 3.21 -2.78 0.00 5.68 -1.26 -3.78 116.55 122.05 1whd n ASP 35 Ca -0.07 1.12 -0.38 0.00 -0.50 0.00 0.00 54.79 54.96 1whd n ASP 35 Cb 0.56 -1.48 -0.05 0.00 -1.14 0.00 0.00 41.12 39.00 1whd n ASP 35 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1whd n SER 36 N 2.64 0.27 -4.77 -1.12 3.41 -1.17 -4.20 113.62 108.68 1whd n SER 36 Ca 0.13 0.71 -0.36 0.00 -0.26 0.00 0.00 58.87 59.09 1whd n SER 36 Cb 0.32 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.68 3.51 0.26 4.33 0.04 -1.25 -4.97 135.00 137.60 1whd s PRO 37 Ca 0.58 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 1whd s PRO 37 Cb -0.82 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 1whd s PRO 37 CO 0.40 -0.73 0.83 0.08 0.04 0.00 0.00 177.00 177.62 1whd s VAL 38 N -1.69 4.38 0.11 -0.36 1.01 -1.25 -4.83 120.40 117.77 1whd s VAL 38 Ca 0.69 1.58 -0.00 0.00 0.00 0.00 0.00 61.98 64.25 1whd s VAL 38 Cb -0.26 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1whd s VAL 38 CO 0.30 0.23 0.00 -0.60 0.00 0.00 0.00 175.10 175.03 1whd s ARG 39 N -1.89 0.85 0.33 2.72 3.52 -1.26 0.94 118.95 124.17 1whd s ARG 39 Ca 0.45 -1.37 -0.23 0.00 -0.13 0.00 0.00 55.73 54.44 1whd s ARG 39 Cb -0.18 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.18 1whd s ARG 39 CO 0.23 -0.15 0.90 0.08 -0.81 0.00 0.00 175.30 175.55 1whd s VAL 40 N -3.88 4.34 -0.11 7.11 1.01 0.12 -3.52 120.40 125.47 1whd s VAL 40 Ca 0.17 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 1whd s VAL 40 Cb 0.07 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1whd s VAL 40 CO -0.02 0.02 -0.19 1.67 0.00 0.00 0.00 175.10 176.57 1whd n GLN 41 N 0.24 0.33 -3.53 2.72 7.27 -1.04 -2.73 117.38 120.64 1whd n GLN 41 Ca 0.03 0.23 -0.14 0.00 0.07 0.00 0.00 57.00 57.18 1whd n GLN 41 Cb 0.51 -1.18 -0.05 0.00 2.41 0.00 0.00 30.24 31.93 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1whd s ALA 42 N -2.91 -1.81 -0.06 1.69 0.00 -1.18 -4.36 121.76 113.12 1whd s ALA 42 Ca -0.16 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1whd s ALA 42 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1whd s ALA 42 CO 0.24 -0.42 -0.01 0.08 0.00 0.00 0.00 175.76 175.65 1whd s VAL 43 N -1.58 4.20 0.03 0.00 1.01 -1.26 -2.04 120.40 120.76 1whd s VAL 43 Ca -0.05 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1whd s VAL 43 Cb -0.00 -2.78 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1whd s VAL 43 CO 0.03 0.55 1.41 -0.62 0.00 0.00 0.00 175.10 176.48 1whd s ASP 44 N -1.03 6.84 -0.15 3.32 2.15 -0.96 -4.94 116.67 121.89 1whd s ASP 44 Ca 0.15 2.17 -0.29 0.00 0.43 0.00 0.00 52.55 55.01 1whd s ASP 44 Cb -0.11 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1whd s ASP 44 CO 0.04 -0.71 1.72 -0.94 -0.17 0.00 0.00 175.17 175.11 1whd s SER 45 N 1.76 6.36 -0.00 -0.34 1.04 -1.26 -2.64 113.70 118.62 1whd s SER 45 Ca 0.64 1.90 -0.00 0.00 0.48 0.00 0.00 55.95 58.98 1whd s SER 45 Cb -0.33 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.26 1whd s SER 45 CO 0.28 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1whd n GLY 46 N 4.63 0.95 1.43 7.32 0.00 -1.26 -5.07 105.19 113.18 1whd n GLY 46 Ca 0.20 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.51 3.94 0.22 -0.02 0.00 -1.08 -5.01 105.19 102.72 1whd n GLY 47 Ca 0.00 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 1whd n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd h PRO 48 N 0.00 0.72 0.60 1.61 0.13 -1.87 -2.95 132.00 130.23 1whd h PRO 48 Ca -0.16 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 1whd h PRO 48 Cb 0.50 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1whd h PRO 48 CO 0.27 0.99 -0.45 0.00 -0.23 0.00 0.00 178.00 178.58 1whd h ALA 49 N 0.71 -1.18 -0.54 -0.56 0.00 -1.86 -1.57 119.26 114.26 1whd h ALA 49 Ca 0.05 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1whd h ALA 49 Cb 0.86 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 19.17 1whd h ALA 49 CO 0.07 -1.18 -0.18 1.49 0.00 0.00 0.00 179.25 179.46 1whd h GLU 50 N -1.01 -0.05 -0.56 0.00 4.81 -1.78 -0.34 114.58 115.64 1whd h GLU 50 Ca -0.08 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1whd h GLU 50 Cb 0.84 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.14 1whd h GLU 50 CO 0.02 -0.03 0.05 0.00 -0.73 0.00 0.00 179.01 178.32 1whd h ARG 51 N -0.05 0.16 -0.95 1.92 3.08 -1.34 -0.52 114.38 116.68 1whd h ARG 51 Ca 0.26 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1whd h ARG 51 Cb 0.44 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1whd h ARG 51 CO -0.58 0.11 0.63 0.00 -1.07 0.00 0.00 179.97 179.05 1whd h ALA 52 N 1.48 1.24 0.00 0.04 0.00 -0.07 -3.46 119.26 118.49 1whd h ALA 52 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1whd h ALA 52 Cb 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1whd h ALA 52 CO -0.44 0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1whd n GLY 53 N -1.36 0.87 3.69 0.00 0.00 -0.20 -4.76 105.19 103.43 1whd n GLY 53 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 4.25 -0.06 0.99 0.20 -0.94 -4.88 118.68 118.25 1whd s LEU 54 Ca 0.00 1.13 0.05 0.00 0.69 0.00 0.00 54.13 56.01 1whd s LEU 54 Cb 0.00 -3.10 -0.01 0.00 -0.43 0.00 0.00 46.19 42.65 1whd s LEU 54 CO 0.00 -0.22 -0.22 -1.58 -0.29 0.00 0.00 176.35 174.04 1whd s GLN 55 N 1.35 2.34 0.83 1.98 0.74 -1.26 -4.47 119.66 121.17 1whd s GLN 55 Ca 0.36 -0.81 -0.10 0.00 0.05 0.00 0.00 55.36 54.86 1whd s GLN 55 Cb -0.17 -1.98 0.09 0.00 1.10 0.00 0.00 33.01 32.06 1whd s GLN 55 CO 0.15 0.32 1.11 1.14 -0.55 0.00 0.00 175.29 177.47 1whd s GLN 56 N -0.05 1.76 -0.83 1.67 -2.07 -1.26 -3.97 119.66 114.91 1whd s GLN 56 Ca -0.05 1.30 -0.01 0.00 -1.82 0.00 0.00 55.36 54.78 1whd s GLN 56 Cb -0.13 -1.83 0.00 0.00 -1.09 0.00 0.00 33.01 29.96 1whd s GLN 56 CO 0.04 -2.03 0.70 1.28 -1.32 0.00 0.00 175.29 173.95 1whd n LEU 57 N -3.80 -3.30 -4.06 2.60 4.77 -1.10 -4.97 117.00 107.13 1whd n LEU 57 Ca 0.10 -0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 55.39 1whd n LEU 57 Cb 0.53 -2.27 -0.17 0.00 -2.33 0.00 0.00 43.42 39.18 1whd n LEU 57 CO 0.52 0.29 -0.49 -1.81 -1.33 0.00 0.00 177.39 174.57 1whd s ASP 58 N -3.80 2.29 -0.41 -1.43 1.11 -1.25 -4.87 116.67 108.31 1whd s ASP 58 Ca 0.07 -0.40 -0.29 0.00 0.18 0.00 0.00 52.55 52.11 1whd s ASP 58 Cb -0.03 -1.03 0.02 0.00 1.07 0.00 0.00 42.92 42.95 1whd s ASP 58 CO 0.49 0.03 1.11 -0.89 1.18 0.00 0.00 175.17 177.10 1whd s THR 59 N 0.83 4.33 -0.20 -1.27 2.01 -1.26 0.14 115.64 120.22 1whd s THR 59 Ca -0.10 1.42 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 1whd s THR 59 Cb -0.15 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 1whd s THR 59 CO 0.01 -0.80 1.94 -0.69 -0.69 0.00 0.00 174.62 174.40 1whd s VAL 60 N 4.13 3.28 -0.14 3.82 1.01 0.27 -2.69 120.40 130.07 1whd s VAL 60 Ca 0.47 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 1whd s VAL 60 Cb -0.09 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1whd s VAL 60 CO 0.25 -0.16 0.10 -0.07 0.00 0.00 0.00 175.10 175.22 1whd h LEU 61 N 13.23 0.00 -7.42 3.92 3.38 -1.60 -3.40 115.31 123.42 1whd h LEU 61 Ca -0.39 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.17 1whd h LEU 61 Cb 1.20 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 1whd h LEU 61 CO 0.98 0.83 -0.43 0.00 0.09 0.00 0.00 178.44 179.91 1whd s GLN 62 N -2.03 0.28 -0.06 1.13 -2.07 -1.16 -2.62 119.66 113.14 1whd s GLN 62 Ca -0.13 0.44 0.05 0.00 -1.82 0.00 0.00 55.36 53.90 1whd s GLN 62 Cb 0.01 0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 31.98 1whd s GLN 62 CO 0.28 -0.08 -0.22 -1.17 -1.32 0.00 0.00 175.29 172.78 1whd s LEU 63 N 0.56 2.01 -1.14 2.60 0.20 -0.41 -0.15 118.68 122.35 1whd s LEU 63 Ca -0.03 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 54.30 1whd s LEU 63 Cb -0.05 -1.24 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 1whd s LEU 63 CO -0.03 0.21 0.96 0.59 -0.29 0.00 0.00 176.35 177.78 1whd n ASN 64 N 3.06 -3.88 -2.44 3.68 5.03 0.13 -1.90 115.26 118.94 1whd n ASN 64 Ca -0.18 -0.67 -0.05 0.00 0.87 0.00 0.00 54.58 54.56 1whd n ASN 64 Cb 0.52 -5.11 -0.00 0.00 -1.02 0.00 0.00 39.78 34.17 1whd n ASN 64 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1whd n GLU 65 N -3.78 -2.67 -4.23 3.52 0.28 -1.26 -4.89 120.64 107.60 1whd n GLU 65 Ca -0.20 0.22 -0.17 0.00 -0.16 0.00 0.00 57.16 56.85 1whd n GLU 65 Cb 0.65 -4.75 -0.13 0.00 1.43 0.00 0.00 31.44 28.64 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1whd s ARG 66 N -4.94 0.72 -0.05 3.44 0.52 -0.80 -5.12 118.95 112.72 1whd s ARG 66 Ca 0.00 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 1whd s ARG 66 Cb 0.00 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 34.77 1whd s ARG 66 CO 0.00 0.16 1.49 -1.25 0.02 0.00 0.00 175.30 175.72 1whd s PRO 67 N -1.05 4.23 -0.05 3.54 0.04 -1.26 -1.29 135.00 139.15 1whd s PRO 67 Ca -0.02 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.12 1whd s PRO 67 Cb -0.07 -3.78 0.13 0.00 0.04 0.00 0.00 34.50 30.82 1whd s PRO 67 CO 0.01 -0.72 1.06 1.33 0.04 0.00 0.00 177.00 178.72 1whd n VAL 68 N 5.13 0.64 0.02 -0.36 0.24 -1.19 -4.82 118.33 117.99 1whd n VAL 68 Ca 0.15 -0.86 0.01 0.00 -2.04 0.00 0.00 64.34 61.60 1whd n VAL 68 Cb 0.43 0.29 0.34 0.00 -1.47 0.00 0.00 33.84 33.43 1whd n VAL 68 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1whd h GLU 69 N 0.11 0.49 -0.61 7.34 4.22 -1.72 -2.19 114.58 122.21 1whd h GLU 69 Ca -0.02 -0.08 -0.25 0.00 0.08 0.00 0.00 59.36 59.09 1whd h GLU 69 Cb 1.30 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1whd h GLU 69 CO 0.01 0.48 0.22 1.58 -2.18 0.00 0.00 179.01 179.11 1whd n HIS 70 N -4.33 1.95 -3.89 0.92 -0.00 -1.26 -3.94 115.22 104.68 1whd n HIS 70 Ca 0.02 -1.45 -0.37 0.00 0.46 0.00 0.00 57.72 56.38 1whd n HIS 70 Cb 0.20 -0.64 -0.06 0.00 -0.12 0.00 0.00 29.99 29.37 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1whd s TRP 71 N -3.13 3.59 0.39 1.57 0.52 -0.83 -4.86 118.94 116.20 1whd s TRP 71 Ca 0.50 0.52 -0.03 0.00 0.02 0.00 0.00 56.10 57.12 1whd s TRP 71 Cb 0.43 -1.93 0.08 0.00 -1.15 0.00 0.00 33.47 30.89 1whd s TRP 71 CO 0.08 0.73 0.54 1.63 0.02 0.00 0.00 176.95 179.95 1whd n LYS 72 N 1.95 -0.04 0.33 4.98 5.02 -1.26 -3.07 118.16 126.07 1whd n LYS 72 Ca -0.20 -1.21 -0.15 0.00 -2.02 0.00 0.00 58.31 54.73 1whd n LYS 72 Cb 0.55 -0.44 -0.08 0.00 -0.02 0.00 0.00 35.03 35.05 1whd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1whd h VAL 74 N -1.10 0.84 0.04 0.00 -1.51 -1.96 0.11 116.25 112.67 1whd h VAL 74 Ca -0.09 -0.56 -0.23 0.00 -1.23 0.00 0.00 66.70 64.59 1whd h VAL 74 Cb 0.70 1.33 0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1whd h VAL 74 CO 0.15 0.15 -0.90 -0.33 -1.23 0.00 0.00 177.57 175.40 1whd h GLU 75 N 0.00 0.54 0.24 5.19 5.08 -1.91 -3.23 114.58 120.50 1whd h GLU 75 Ca -0.00 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.71 1whd h GLU 75 Cb 0.32 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1whd h GLU 75 CO 0.02 1.25 -0.12 1.25 -1.00 0.00 0.00 179.01 180.41 1whd h LEU 76 N 0.11 -0.28 -1.16 1.33 5.85 -0.08 -3.27 115.31 117.82 1whd h LEU 76 Ca -0.12 -0.11 0.44 0.00 0.84 0.00 0.00 57.88 58.92 1whd h LEU 76 Cb 1.60 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.55 1whd h LEU 76 CO 0.18 0.22 0.70 0.00 -0.34 0.00 0.00 178.44 179.19 1whd n ALA 77 N -2.70 1.17 -0.24 1.25 0.00 0.36 0.82 120.51 121.17 1whd n ALA 77 Ca -0.06 0.91 0.04 0.00 0.00 0.00 0.00 53.44 54.34 1whd n ALA 77 Cb 0.19 -1.01 0.16 0.00 0.00 0.00 0.00 19.45 18.79 1whd n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1whd h HIS 78 N 0.00 0.16 0.09 0.00 -0.00 -1.61 0.12 115.15 113.91 1whd h HIS 78 Ca 0.84 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 61.25 1whd h HIS 78 Cb 2.47 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 29.92 1whd h HIS 78 CO -0.01 -0.13 -0.04 0.93 -0.00 0.00 0.00 177.93 178.68 1whd h GLU 79 N 0.21 -0.11 -0.73 5.26 4.39 0.25 -2.10 114.58 121.75 1whd h GLU 79 Ca 0.39 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.24 1whd h GLU 79 Cb 0.67 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 1whd h GLU 79 CO -0.53 0.22 0.26 0.82 -1.16 0.00 0.00 179.01 178.61 1whd h ILE 80 N -0.46 0.63 0.00 3.13 2.04 -1.20 0.38 117.51 122.02 1whd h ILE 80 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1whd h ILE 80 Cb 0.39 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1whd h ILE 80 CO 0.02 0.07 -0.07 0.08 0.00 0.00 0.00 178.15 178.26 1whd h ARG 81 N 0.39 0.00 -0.99 2.37 0.11 -0.76 -3.02 114.38 112.49 1whd h ARG 81 Ca 0.40 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.53 1whd h ARG 81 Cb 0.62 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.63 1whd h ARG 81 CO -0.42 0.07 0.64 1.03 0.10 0.00 0.00 179.97 181.39 1whd h SER 82 N 0.00 1.04 -3.53 0.08 0.87 0.48 -3.35 113.55 109.15 1whd h SER 82 Ca -0.00 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.87 1whd h SER 82 Cb 0.56 -0.22 -0.35 0.00 -0.44 0.00 0.00 62.40 61.94 1whd h SER 82 CO 0.01 0.69 -0.58 0.00 -0.53 0.00 0.00 176.83 176.41 1whd h PRO 84 N 7.97 0.21 0.00 0.00 0.13 -1.78 -3.37 132.00 135.16 1whd h PRO 84 Ca -0.12 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1whd h PRO 84 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1whd h PRO 84 CO 0.66 0.63 0.00 0.43 -0.23 0.00 0.00 178.00 179.50 1whd n SER 85 N -4.68 0.00 -4.27 1.44 7.64 -1.26 -4.59 113.62 107.89 1whd n SER 85 Ca -0.07 0.75 -0.15 0.00 1.01 0.00 0.00 58.87 60.41 1whd n SER 85 Cb 0.31 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.00 1.16 -0.03 1.43 8.01 -1.26 -2.58 118.70 123.44 1whd s GLU 86 Ca 0.00 -1.55 -0.05 0.00 0.01 0.00 0.00 54.97 53.38 1whd s GLU 86 Cb 0.00 -0.53 0.01 0.00 -4.31 0.00 0.00 34.13 29.29 1whd s GLU 86 CO 0.00 -0.03 0.11 0.96 0.01 0.00 0.00 175.26 176.31 1whd s ILE 87 N -3.44 0.04 -0.21 -1.63 -4.36 -1.12 -4.69 121.20 105.80 1whd s ILE 87 Ca 0.22 -0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 1whd s ILE 87 Cb 0.04 -0.27 0.02 0.00 1.25 0.00 0.00 42.46 43.51 1whd s ILE 87 CO 0.04 -0.16 -0.15 -0.63 0.24 0.00 0.00 174.94 174.28 1whd s ILE 88 N -0.52 2.35 -0.05 8.37 1.01 -1.26 -2.14 121.20 128.95 1whd s ILE 88 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1whd s ILE 88 Cb -0.04 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1whd s ILE 88 CO 0.00 0.40 -0.06 -1.48 0.00 0.00 0.00 174.94 173.80 1whd s LEU 89 N 1.29 1.39 -0.12 2.97 2.34 -1.17 0.21 118.68 125.59 1whd s LEU 89 Ca 0.02 -0.16 -0.05 0.00 0.06 0.00 0.00 54.13 54.01 1whd s LEU 89 Cb -0.15 -0.52 -0.04 0.00 -0.56 0.00 0.00 46.19 44.93 1whd s LEU 89 CO -0.09 -0.04 0.05 -0.22 -1.06 0.00 0.00 176.35 174.99 1whd s LEU 90 N 0.86 3.86 0.19 1.48 2.96 0.79 -1.75 118.68 127.06 1whd s LEU 90 Ca -0.12 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1whd s LEU 90 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1whd s LEU 90 CO 0.01 0.34 0.09 0.68 -1.32 0.00 0.00 176.35 176.15 1whd s VAL 91 N -0.61 0.19 -0.20 1.68 -7.23 -1.20 -1.62 120.40 111.41 1whd s VAL 91 Ca 0.11 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1whd s VAL 91 Cb -0.12 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1whd s VAL 91 CO 0.02 -0.17 0.16 0.86 -0.31 0.00 0.00 175.10 175.66 1whd s TRP 92 N -4.01 3.41 -0.03 2.82 -0.11 -1.09 -2.98 118.94 116.94 1whd s TRP 92 Ca 0.33 0.36 0.05 0.00 1.22 0.00 0.00 56.10 58.07 1whd s TRP 92 Cb 0.07 -2.20 -0.01 0.00 -1.50 0.00 0.00 33.47 29.83 1whd s TRP 92 CO 0.09 0.26 -0.18 0.50 -4.62 0.00 0.00 176.95 173.00 1whd s ARG 93 N 0.46 1.67 -0.03 5.86 3.52 -1.20 -4.21 118.95 125.01 1whd s ARG 93 Ca 0.09 -0.63 0.06 0.00 -0.13 0.00 0.00 55.73 55.12 1whd s ARG 93 Cb -0.12 -1.51 -0.02 0.00 -1.56 0.00 0.00 34.95 31.74 1whd s ARG 93 CO -0.00 0.31 -0.20 0.54 -0.81 0.00 0.00 175.30 175.13 1whd s VAL 94 N -0.15 2.56 -0.65 7.11 0.11 -1.26 -1.19 120.40 126.92 1whd s VAL 94 Ca 0.01 -0.92 -0.27 0.00 -2.93 0.00 0.00 61.98 57.87 1whd s VAL 94 Cb -0.10 -1.95 0.02 0.00 -1.53 0.00 0.00 36.38 32.82 1whd s VAL 94 CO 0.01 0.59 1.41 -0.55 -3.33 0.00 0.00 175.10 173.22 1whd s SER 95 N -0.67 6.04 -0.30 3.54 0.15 -0.74 -4.94 113.70 116.77 1whd s SER 95 Ca 0.11 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1whd s SER 95 Cb -0.10 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1whd s SER 95 CO -0.00 -1.85 0.14 -0.83 1.20 0.00 0.00 173.24 171.90 1whd s GLY 96 N 4.56 0.66 0.00 9.45 0.00 -1.26 -4.97 107.32 115.76 1whd s GLY 96 Ca 0.46 -1.32 0.13 0.00 0.00 0.00 0.00 44.72 43.99 1whd s GLY 96 CO 0.20 1.98 1.21 -1.55 0.00 0.00 0.00 173.10 174.94 1whd n PRO 97 N 4.99 0.49 -2.99 2.90 -0.04 -1.26 -4.83 135.00 134.27 1whd n PRO 97 Ca -0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1whd n PRO 97 Cb 0.41 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1whd n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whd n SER 98 N -0.92 -3.67 -4.69 3.54 7.64 -1.26 -4.99 113.62 109.26 1whd n SER 98 Ca 0.10 -0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.26 1whd n SER 98 Cb 0.05 -2.91 -0.03 0.00 -1.01 0.00 0.00 64.21 60.30 1whd n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whd s SER 99 N -3.32 7.19 0.00 6.43 0.01 -1.26 -5.35 113.70 117.39 1whd s SER 99 Ca 0.22 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1whd s SER 99 Cb -0.10 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1whd s SER 99 CO 0.39 -0.33 0.32 0.61 0.41 0.00 0.00 173.24 174.63