#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd n SER 2 N 0.00 1.53 -4.12 1.61 3.41 -1.26 -4.97 113.62 109.82 1whd n SER 2 Ca 0.00 0.25 -0.33 0.00 -0.26 0.00 0.00 58.87 58.53 1whd n SER 2 Cb 0.00 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.23 1whd n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1whd n SER 3 N -4.03 -0.70 -4.81 4.04 2.88 -1.26 -4.87 113.62 104.88 1whd n SER 3 Ca -0.10 -1.09 -0.37 0.00 -1.33 0.00 0.00 58.87 55.98 1whd n SER 3 Cb 0.38 -1.38 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1whd n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whd s GLY 4 N -3.41 2.30 -0.30 0.46 0.00 -1.26 -5.06 107.32 100.06 1whd s GLY 4 Ca 0.46 -0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.62 1whd s GLY 4 CO 0.88 0.13 1.04 -0.45 0.00 0.00 0.00 173.10 174.71 1whd s SER 5 N -0.47 -0.48 0.19 1.64 0.15 -1.26 -5.18 113.70 108.29 1whd s SER 5 Ca 0.19 0.57 -0.11 0.00 0.70 0.00 0.00 55.95 57.30 1whd s SER 5 Cb -0.14 1.51 -0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1whd s SER 5 CO 0.08 -0.09 0.36 -0.44 1.20 0.00 0.00 173.24 174.35 1whd s SER 6 N 2.50 -0.03 0.00 5.45 0.01 -1.26 -5.06 113.70 115.30 1whd s SER 6 Ca -0.01 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1whd s SER 6 Cb -0.06 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1whd s SER 6 CO -0.16 -0.98 0.02 0.61 0.41 0.00 0.00 173.24 173.14 1whd n GLY 7 N -0.28 0.89 4.11 3.44 0.00 -1.26 -5.03 105.19 107.07 1whd n GLY 7 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1whd n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whd n GLU 8 N -0.76 -0.75 0.00 1.61 4.71 -1.26 -4.78 120.64 119.41 1whd n GLU 8 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1whd n GLU 8 Cb 0.00 -2.89 0.00 0.00 -1.01 0.00 0.00 31.44 27.54 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1whd n GLY 9 N -2.30 1.67 2.92 0.62 0.00 -1.26 -5.13 105.19 101.71 1whd n GLY 9 Ca -0.24 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 1whd n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whd s ASP 10 N 1.13 0.24 1.10 1.61 1.11 -1.26 -5.16 116.67 115.43 1whd s ASP 10 Ca 0.00 -0.05 -0.15 0.00 0.18 0.00 0.00 52.55 52.53 1whd s ASP 10 Cb 0.00 1.16 0.24 0.00 1.07 0.00 0.00 42.92 45.39 1whd s ASP 10 CO 0.00 -0.33 1.10 -2.16 1.18 0.00 0.00 175.17 174.96 1whd s PRO 11 N 2.56 -0.37 -0.36 8.23 0.04 -1.26 -5.01 135.00 138.83 1whd s PRO 11 Ca 0.12 0.24 -0.15 0.00 0.04 0.00 0.00 61.00 61.25 1whd s PRO 11 Cb -0.14 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1whd s PRO 11 CO -0.23 -3.21 0.32 -1.21 0.04 0.00 0.00 177.00 172.71 1whd s GLU 12 N -5.16 3.40 0.01 4.56 8.01 -1.26 -4.98 118.70 123.29 1whd s GLU 12 Ca 0.68 -0.63 -0.26 0.00 0.01 0.00 0.00 54.97 54.77 1whd s GLU 12 Cb -0.15 -3.85 -0.16 0.00 -4.31 0.00 0.00 34.13 25.66 1whd s GLU 12 CO 0.57 -0.57 1.19 -0.91 0.01 0.00 0.00 175.26 175.56 1whd h ASN 13 N 8.53 -0.58 -4.30 -0.19 2.35 -1.95 -3.45 115.58 116.00 1whd h ASN 13 Ca -0.30 -0.07 -0.52 0.00 -0.55 0.00 0.00 56.30 54.87 1whd h ASN 13 Cb 1.14 0.15 0.15 0.00 0.05 0.00 0.00 38.32 39.81 1whd h ASN 13 CO 0.69 -0.22 0.30 -0.83 -1.65 0.00 0.00 177.43 175.72 1whd s GLY 14 N -2.56 1.70 0.03 2.83 0.00 -1.26 -4.19 107.32 103.87 1whd s GLY 14 Ca -0.14 0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.94 1whd s GLY 14 CO 0.49 0.73 -0.03 -1.83 0.00 0.00 0.00 173.10 172.46 1whd s GLU 15 N -4.81 0.44 -0.31 2.90 -1.05 -0.43 -4.92 118.70 110.53 1whd s GLU 15 Ca 0.63 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 54.30 1whd s GLU 15 Cb -0.19 0.12 -0.01 0.00 -0.44 0.00 0.00 34.13 33.62 1whd s GLU 15 CO 0.56 -0.07 1.46 0.15 0.95 0.00 0.00 175.26 178.31 1whd s LYS 16 N -2.42 3.75 -0.08 -4.83 1.02 -1.26 -3.34 119.74 112.58 1whd s LYS 16 Ca -0.07 1.30 0.05 0.00 0.02 0.00 0.00 55.97 57.27 1whd s LYS 16 Cb -0.03 -3.99 -0.00 0.00 -0.52 0.00 0.00 37.83 33.29 1whd s LYS 16 CO -0.04 -1.34 -0.23 -0.51 -0.92 0.00 0.00 175.35 172.31 1whd s LEU 17 N 5.08 2.03 -0.06 3.17 1.43 -0.98 -5.02 118.68 124.32 1whd s LEU 17 Ca 0.64 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1whd s LEU 17 Cb -0.19 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1whd s LEU 17 CO 0.28 0.18 0.17 -1.58 0.23 0.00 0.00 176.35 175.64 1whd s GLN 18 N 0.14 3.46 -0.10 1.70 0.74 -1.26 -2.35 119.66 121.99 1whd s GLN 18 Ca -0.11 -0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.13 1whd s GLN 18 Cb -0.16 -3.15 0.01 0.00 1.10 0.00 0.00 33.01 30.82 1whd s GLN 18 CO 0.06 0.73 -0.14 0.42 -0.55 0.00 0.00 175.29 175.80 1whd s ILE 19 N -1.17 1.40 -0.33 -2.34 -1.09 -0.18 -5.00 121.20 112.49 1whd s ILE 19 Ca 0.21 -0.59 -0.05 0.00 -2.23 0.00 0.00 60.65 57.98 1whd s ILE 19 Cb -0.12 -1.28 0.05 0.00 -1.58 0.00 0.00 42.46 39.53 1whd s ILE 19 CO 0.11 0.42 0.08 -0.89 -1.23 0.00 0.00 174.94 173.43 1whd s THR 20 N 0.90 3.55 -0.34 2.92 2.01 -1.26 -2.08 115.64 121.34 1whd s THR 20 Ca -0.09 -1.25 -0.16 0.00 0.31 0.00 0.00 61.69 60.50 1whd s THR 20 Cb -0.15 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 1whd s THR 20 CO 0.00 -0.19 0.38 -0.63 -0.69 0.00 0.00 174.62 173.50 1whd s ILE 21 N 1.35 5.15 -0.16 1.82 1.01 -1.08 -4.99 121.20 124.30 1whd s ILE 21 Ca -0.02 0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.47 1whd s ILE 21 Cb -0.20 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1whd s ILE 21 CO 0.01 -0.10 0.90 -0.60 0.00 0.00 0.00 174.94 175.15 1whd s ARG 22 N 2.07 4.32 -0.40 2.79 3.52 -1.26 -3.10 118.95 126.90 1whd s ARG 22 Ca 0.13 1.15 -0.27 0.00 -0.13 0.00 0.00 55.73 56.60 1whd s ARG 22 Cb -0.16 -3.57 -0.07 0.00 -1.56 0.00 0.00 34.95 29.58 1whd s ARG 22 CO 0.12 -0.36 2.35 -2.13 -0.81 0.00 0.00 175.30 174.47 1whd n ARG 23 N 5.31 1.34 0.00 5.12 0.63 -0.85 -4.87 116.66 123.33 1whd n ARG 23 Ca 0.06 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1whd n ARG 23 Cb 0.48 -3.25 0.00 0.00 0.45 0.00 0.00 32.46 30.14 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 5.98 1.35 0.02 5.14 0.00 -1.09 -4.97 105.19 111.62 1whd n GLY 24 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 1whd n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whd n LYS 25 N 0.00 2.64 -3.57 1.61 4.01 -1.26 -4.83 118.16 116.76 1whd n LYS 25 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.50 1whd n LYS 25 Cb 0.00 -1.11 -0.08 0.00 -0.51 0.00 0.00 35.03 33.33 1whd n LYS 25 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1whd n ASP 26 N -2.26 3.89 0.00 4.39 -0.08 -1.26 -5.05 116.55 116.18 1whd n ASP 26 Ca -0.07 -3.32 0.00 0.00 -1.51 0.00 0.00 54.79 49.89 1whd n ASP 26 Cb 0.63 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whd n GLY 27 N 1.49 2.80 0.25 0.27 0.00 -1.26 -4.22 105.19 104.52 1whd n GLY 27 Ca 0.25 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 13.55 0.00 0.00 1.61 3.72 -1.26 -2.67 117.46 132.41 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 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 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 1.82 3.63 3.87 1.37 0.00 -1.26 -4.23 105.19 110.39 1whd n GLY 29 Ca -0.11 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 0.25 1.61 -0.71 -1.26 -4.00 117.98 117.34 1whd s PHE 30 Ca 0.00 0.90 0.07 0.00 -1.04 0.00 0.00 56.93 56.86 1whd s PHE 30 Cb 0.00 -2.27 -0.04 0.00 -1.21 0.00 0.00 43.02 39.50 1whd s PHE 30 CO 0.00 0.33 0.16 0.99 -1.34 0.00 0.00 175.22 175.37 1whd s THR 31 N -1.70 4.32 -0.21 -4.49 2.01 -1.01 -5.02 115.64 109.54 1whd s THR 31 Ca 0.44 -1.44 -0.10 0.00 0.31 0.00 0.00 61.69 60.90 1whd s THR 31 Cb -0.12 -3.32 0.08 0.00 0.01 0.00 0.00 72.50 69.15 1whd s THR 31 CO 0.21 -0.33 0.49 0.27 -0.69 0.00 0.00 174.62 174.56 1whd s ILE 32 N -2.12 -0.33 -0.20 1.82 -4.36 -1.26 -2.61 121.20 112.14 1whd s ILE 32 Ca 0.32 0.09 -0.08 0.00 -0.26 0.00 0.00 60.65 60.73 1whd s ILE 32 Cb -0.08 -0.74 0.08 0.00 1.25 0.00 0.00 42.46 42.98 1whd s ILE 32 CO 0.24 0.04 0.43 0.00 0.24 0.00 0.00 174.94 175.89 1whd s ASP 35 N -2.43 3.08 -0.28 0.00 1.47 -1.26 -2.94 116.67 114.31 1whd s ASP 35 Ca 0.15 -0.53 -0.27 0.00 1.18 0.00 0.00 52.55 53.08 1whd s ASP 35 Cb -0.00 -1.04 -0.12 0.00 -0.34 0.00 0.00 42.92 41.42 1whd s ASP 35 CO -0.00 0.22 0.92 -1.54 0.68 0.00 0.00 175.17 175.44 1whd n SER 36 N 3.15 0.67 -4.77 2.11 3.41 -1.22 -4.01 113.62 112.95 1whd n SER 36 Ca -0.18 0.69 -0.36 0.00 -0.26 0.00 0.00 58.87 58.77 1whd n SER 36 Cb 0.52 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.67 3.47 0.35 4.33 0.04 -1.26 -5.00 135.00 138.59 1whd s PRO 37 Ca 0.61 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 63.05 1whd s PRO 37 Cb -0.87 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.46 1whd s PRO 37 CO 0.47 -0.76 0.97 0.08 0.04 0.00 0.00 177.00 177.80 1whd s VAL 38 N -1.71 4.12 0.36 -0.36 1.01 -1.23 -4.94 120.40 117.64 1whd s VAL 38 Ca 0.70 1.68 0.04 0.00 0.00 0.00 0.00 61.98 64.40 1whd s VAL 38 Cb -0.25 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1whd s VAL 38 CO 0.29 0.06 0.16 -0.13 0.00 0.00 0.00 175.10 175.49 1whd s ARG 39 N -2.27 1.78 -0.03 2.72 0.52 -1.26 -2.08 118.95 118.33 1whd s ARG 39 Ca 0.53 -2.05 -0.11 0.00 -0.52 0.00 0.00 55.73 53.58 1whd s ARG 39 Cb -0.18 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1whd s ARG 39 CO 0.24 -0.49 0.30 0.08 0.02 0.00 0.00 175.30 175.44 1whd s VAL 40 N -3.39 5.23 -0.13 3.52 1.01 0.02 -3.67 120.40 122.99 1whd s VAL 40 Ca 0.31 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 1whd s VAL 40 Cb 0.03 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1whd s VAL 40 CO 0.18 0.53 -0.12 -0.61 0.00 0.00 0.00 175.10 175.08 1whd h GLN 41 N 4.58 0.00 -2.70 2.72 5.75 -1.77 -3.23 115.11 120.45 1whd h GLN 41 Ca -0.52 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.08 1whd h GLN 41 Cb 1.22 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 1whd h GLN 41 CO 0.62 0.00 0.38 0.00 -2.65 0.00 0.00 178.83 177.18 1whd s ALA 42 N -2.67 -1.32 -0.08 3.38 0.00 -1.23 -4.46 121.76 115.38 1whd s ALA 42 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1whd s ALA 42 Cb 0.01 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1whd s ALA 42 CO 0.14 -1.03 -0.08 0.08 0.00 0.00 0.00 175.76 174.87 1whd s VAL 43 N -3.05 0.93 -0.01 0.00 1.01 -1.26 -2.40 120.40 115.61 1whd s VAL 43 Ca 0.14 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1whd s VAL 43 Cb -0.04 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1whd s VAL 43 CO 0.06 0.33 1.37 -0.62 0.00 0.00 0.00 175.10 176.24 1whd s ASP 44 N 1.22 6.88 -0.50 3.32 -1.08 -1.26 -4.90 116.67 120.36 1whd s ASP 44 Ca -0.05 2.06 -0.07 0.00 -0.52 0.00 0.00 52.55 53.98 1whd s ASP 44 Cb -0.14 -2.56 -0.18 0.00 -1.46 0.00 0.00 42.92 38.58 1whd s ASP 44 CO -0.02 -0.70 3.34 -0.24 0.52 0.00 0.00 175.17 178.07 1whd n SER 45 N 5.34 6.35 -1.08 -0.34 2.88 -1.26 -3.52 113.62 122.00 1whd n SER 45 Ca 0.13 -2.59 -0.00 0.00 -1.33 0.00 0.00 58.87 55.07 1whd n SER 45 Cb 0.44 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1whd n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whd n GLY 46 N 2.60 -0.60 3.03 0.46 0.00 -1.26 -5.11 105.19 104.30 1whd n GLY 46 Ca 0.53 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.06 2.93 0.00 -0.02 0.00 -1.23 -5.02 105.19 101.80 1whd n GLY 47 Ca -0.02 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.59 0.49 0.00 1.61 -0.04 -1.26 -3.64 135.00 131.56 1whd n PRO 48 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1whd n PRO 48 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.00 0.00 -0.23 0.55 0.00 -1.26 -3.47 120.51 115.09 1whd n ALA 49 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1whd n ALA 49 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 -0.15 -0.81 0.00 4.81 -1.75 0.18 114.58 116.87 1whd h GLU 50 Ca 0.00 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1whd h GLU 50 Cb 0.00 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.29 1whd h GLU 50 CO 0.00 -0.10 0.19 0.00 -0.73 0.00 0.00 179.01 178.38 1whd h ARG 51 N -0.15 0.23 -0.38 1.92 3.08 -1.77 0.52 114.38 117.83 1whd h ARG 51 Ca 0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1whd h ARG 51 Cb 0.56 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1whd h ARG 51 CO -0.73 0.15 0.23 0.00 -1.07 0.00 0.00 179.97 178.55 1whd h ALA 52 N 1.69 0.48 0.00 0.04 0.00 -0.71 -3.47 119.26 117.30 1whd h ALA 52 Ca 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1whd h ALA 52 Cb 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1whd h ALA 52 CO -0.59 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1whd n GLY 53 N -1.08 0.66 3.53 0.00 0.00 0.17 -5.02 105.19 103.44 1whd n GLY 53 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.59 -0.14 0.99 0.20 -1.21 -4.95 118.68 117.17 1whd s LEU 54 Ca 0.00 -0.08 -0.03 0.00 0.69 0.00 0.00 54.13 54.71 1whd s LEU 54 Cb 0.00 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 1whd s LEU 54 CO 0.00 0.06 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.49 1whd s GLN 55 N 1.06 3.50 1.11 1.98 0.74 -1.26 -4.58 119.66 122.22 1whd s GLN 55 Ca 0.04 -0.53 -0.13 0.00 0.05 0.00 0.00 55.36 54.79 1whd s GLN 55 Cb -0.14 -2.85 0.25 0.00 1.10 0.00 0.00 33.01 31.38 1whd s GLN 55 CO 0.03 0.32 1.05 1.14 -0.55 0.00 0.00 175.29 177.28 1whd s GLN 56 N 0.14 -0.51 -1.29 1.67 -2.07 -1.26 -3.88 119.66 112.46 1whd s GLN 56 Ca -0.02 0.64 -0.05 0.00 -1.82 0.00 0.00 55.36 54.11 1whd s GLN 56 Cb -0.14 -1.62 0.01 0.00 -1.09 0.00 0.00 33.01 30.17 1whd s GLN 56 CO 0.03 -3.40 0.63 1.28 -1.32 0.00 0.00 175.29 172.51 1whd n LEU 57 N -4.66 -2.68 -4.62 2.60 4.77 -1.22 -5.01 117.00 106.19 1whd n LEU 57 Ca 0.04 -0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 1whd n LEU 57 Cb 0.56 -2.63 -0.09 0.00 -2.33 0.00 0.00 43.42 38.93 1whd n LEU 57 CO 0.57 0.28 -0.38 -1.81 -1.33 0.00 0.00 177.39 174.73 1whd s ASP 58 N -2.87 4.55 -0.15 -1.43 1.11 -1.25 -4.90 116.67 111.73 1whd s ASP 58 Ca 0.31 -0.43 -0.12 0.00 0.18 0.00 0.00 52.55 52.49 1whd s ASP 58 Cb -0.14 -0.90 -0.05 0.00 1.07 0.00 0.00 42.92 42.91 1whd s ASP 58 CO 0.39 0.12 0.23 -0.89 1.18 0.00 0.00 175.17 176.19 1whd s THR 59 N -1.57 5.35 -0.27 -1.27 2.01 -1.26 -0.80 115.64 117.83 1whd s THR 59 Ca 0.25 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 1whd s THR 59 Cb -0.10 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1whd s THR 59 CO 0.16 0.46 1.07 -0.69 -0.69 0.00 0.00 174.62 174.93 1whd s VAL 60 N 0.07 4.57 -0.16 3.82 1.01 -0.88 -2.86 120.40 125.97 1whd s VAL 60 Ca 0.14 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.82 1whd s VAL 60 Cb -0.13 -4.33 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 1whd s VAL 60 CO 0.03 -0.31 0.22 -0.07 0.00 0.00 0.00 175.10 174.97 1whd h LEU 61 N 9.77 0.00 -7.35 3.92 3.38 -1.02 -3.42 115.31 120.60 1whd h LEU 61 Ca -0.20 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 1whd h LEU 61 Cb 1.06 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 1whd h LEU 61 CO 1.00 1.02 -0.07 0.00 0.09 0.00 0.00 178.44 180.48 1whd s GLN 62 N -2.15 0.98 0.03 1.13 -2.07 -1.22 -3.66 119.66 112.70 1whd s GLN 62 Ca -0.18 -0.45 0.06 0.00 -1.82 0.00 0.00 55.36 52.97 1whd s GLN 62 Cb 0.02 0.44 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1whd s GLN 62 CO 0.42 -0.36 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.69 1whd s LEU 63 N -2.24 2.15 -0.63 2.60 2.96 -0.49 -1.10 118.68 121.93 1whd s LEU 63 Ca -0.03 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1whd s LEU 63 Cb 0.00 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.92 1whd s LEU 63 CO -0.05 0.11 0.00 0.59 -1.32 0.00 0.00 176.35 175.67 1whd n ASN 64 N 1.99 -2.30 -1.16 3.68 5.03 -0.47 0.14 115.26 122.17 1whd n ASN 64 Ca -0.17 0.27 -0.08 0.00 0.87 0.00 0.00 54.58 55.48 1whd n ASN 64 Cb 0.54 -2.14 0.01 0.00 -1.02 0.00 0.00 39.78 37.17 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 -2.23 -1.61 -4.19 3.52 -0.58 -1.26 -5.04 120.64 109.24 1whd n GLU 65 Ca -0.08 0.31 -0.17 0.00 -0.42 0.00 0.00 57.16 56.81 1whd n GLU 65 Cb 0.44 -3.93 -0.13 0.00 -0.57 0.00 0.00 31.44 27.25 1whd n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1whd s ARG 66 N -4.89 0.68 -0.31 3.49 1.70 0.38 -5.11 118.95 114.89 1whd s ARG 66 Ca 0.10 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1whd s ARG 66 Cb -0.04 -0.60 -0.02 0.00 -0.57 0.00 0.00 34.95 33.72 1whd s ARG 66 CO 0.12 0.14 1.68 -1.25 -1.08 0.00 0.00 175.30 174.91 1whd s PRO 67 N -1.17 3.52 -0.05 3.89 0.04 -1.26 -1.40 135.00 138.57 1whd s PRO 67 Ca -0.03 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.51 1whd s PRO 67 Cb -0.08 -4.12 0.11 0.00 0.04 0.00 0.00 34.50 30.46 1whd s PRO 67 CO 0.01 -1.63 0.99 1.33 0.04 0.00 0.00 177.00 177.74 1whd n VAL 68 N 7.06 1.06 0.28 -0.36 0.24 -1.25 -4.75 118.33 120.61 1whd n VAL 68 Ca 0.21 -1.21 0.16 0.00 -2.04 0.00 0.00 64.34 61.46 1whd n VAL 68 Cb 0.46 0.27 0.92 0.00 -1.47 0.00 0.00 33.84 34.03 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 0.00 0.00 -0.57 7.34 4.39 -1.81 0.11 114.58 124.05 1whd h GLU 69 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1whd h GLU 69 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1whd h GLU 69 CO 0.00 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.57 1whd n HIS 70 N -3.77 0.77 -3.25 4.33 8.25 -1.26 -4.11 115.22 116.18 1whd n HIS 70 Ca -0.02 -0.50 -0.28 0.00 -0.26 0.00 0.00 57.72 56.66 1whd n HIS 70 Cb 0.13 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1whd s TRP 71 N -1.02 3.49 0.29 4.41 0.52 0.40 -4.87 118.94 122.16 1whd s TRP 71 Ca 0.38 0.62 0.09 0.00 0.02 0.00 0.00 56.10 57.21 1whd s TRP 71 Cb 0.20 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 1whd s TRP 71 CO 0.26 0.10 0.07 0.15 0.02 0.00 0.00 176.95 177.55 1whd s LYS 72 N -3.84 2.42 0.29 4.98 1.02 -1.26 -3.46 119.74 119.89 1whd s LYS 72 Ca 0.44 -1.40 0.11 0.00 0.02 0.00 0.00 55.97 55.14 1whd s LYS 72 Cb -0.10 -2.23 0.93 0.00 -0.52 0.00 0.00 37.83 35.91 1whd s LYS 72 CO 0.33 0.29 1.32 0.00 -0.92 0.00 0.00 175.35 176.37 1whd h VAL 74 N 0.00 0.00 -0.91 0.00 2.07 -1.94 0.31 116.25 115.78 1whd h VAL 74 Ca 0.63 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 68.33 1whd h VAL 74 Cb 1.54 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.14 1whd h VAL 74 CO -0.70 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 176.39 1whd h GLU 75 N -0.09 0.01 0.60 1.57 4.39 -1.51 -1.48 114.58 118.06 1whd h GLU 75 Ca -0.01 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1whd h GLU 75 Cb 0.06 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1whd h GLU 75 CO 0.01 0.01 -0.29 1.25 -1.16 0.00 0.00 179.01 178.83 1whd h LEU 76 N 0.01 -0.68 -1.20 1.33 5.85 -1.01 -2.97 115.31 116.64 1whd h LEU 76 Ca 0.46 0.02 0.40 0.00 0.84 0.00 0.00 57.88 59.60 1whd h LEU 76 Cb 0.75 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.85 1whd h LEU 76 CO -0.91 -0.41 0.79 0.00 -0.34 0.00 0.00 178.44 177.57 1whd n ALA 77 N -2.53 1.18 0.27 1.25 0.00 0.11 0.86 120.51 121.65 1whd n ALA 77 Ca -0.10 0.67 -0.16 0.00 0.00 0.00 0.00 53.44 53.85 1whd n ALA 77 Cb 0.32 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.78 0.38 0.00 -0.00 -1.14 -2.07 115.15 111.55 1whd h HIS 78 Ca 0.72 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 61.07 1whd h HIS 78 Cb 2.43 0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 30.12 1whd h HIS 78 CO -0.00 -0.45 -0.21 0.93 -0.00 0.00 0.00 177.93 178.20 1whd h GLU 79 N -0.72 -0.53 -1.22 5.26 4.39 0.41 -1.23 114.58 120.94 1whd h GLU 79 Ca -0.05 0.04 0.36 0.00 0.34 0.00 0.00 59.36 60.05 1whd h GLU 79 Cb 0.60 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.27 1whd h GLU 79 CO 0.04 -0.35 0.80 0.82 -1.16 0.00 0.00 179.01 179.15 1whd h ILE 80 N -0.55 0.32 0.03 3.13 2.04 -1.40 0.95 117.51 122.02 1whd h ILE 80 Ca -0.05 -0.07 -0.22 0.00 1.00 0.00 0.00 64.86 65.52 1whd h ILE 80 Cb 0.44 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1whd h ILE 80 CO 0.07 0.04 -1.05 0.03 0.00 0.00 0.00 178.15 177.23 1whd h ARG 81 N 0.20 0.07 -0.20 2.37 2.47 -0.80 -3.34 114.38 115.13 1whd h ARG 81 Ca 0.70 -0.11 0.05 0.00 -1.26 0.00 0.00 59.98 59.35 1whd h ARG 81 Cb 2.15 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 30.44 1whd h ARG 81 CO -0.30 1.05 -0.46 1.03 0.56 0.00 0.00 179.97 181.85 1whd h SER 82 N 0.02 -1.48 -3.40 7.04 0.87 0.21 -3.36 113.55 113.45 1whd h SER 82 Ca -0.04 0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 60.15 1whd h SER 82 Cb 1.81 0.60 -0.06 0.00 -0.44 0.00 0.00 62.40 64.32 1whd h SER 82 CO 0.15 -0.43 0.98 0.00 -0.53 0.00 0.00 176.83 176.99 1whd h PRO 84 N 9.61 -0.02 0.00 0.00 0.13 -1.87 -3.37 132.00 136.47 1whd h PRO 84 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1whd h PRO 84 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1whd h PRO 84 CO 1.08 0.46 0.00 0.43 -0.23 0.00 0.00 178.00 179.74 1whd n SER 85 N -4.87 0.00 -3.68 1.44 7.64 -1.26 -4.71 113.62 108.19 1whd n SER 85 Ca -0.08 0.64 -0.10 0.00 1.01 0.00 0.00 58.87 60.33 1whd n SER 85 Cb 0.25 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 1whd n SER 85 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1whd s GLU 86 N -1.57 1.73 0.07 1.43 1.03 -1.26 -2.01 118.70 118.12 1whd s GLU 86 Ca 0.00 -1.39 0.06 0.00 0.03 0.00 0.00 54.97 53.66 1whd s GLU 86 Cb 0.00 0.49 -0.03 0.00 -0.80 0.00 0.00 34.13 33.79 1whd s GLU 86 CO 0.00 -0.73 -0.15 0.96 -1.33 0.00 0.00 175.26 174.00 1whd s ILE 87 N -3.57 1.22 -0.27 1.83 -5.25 -1.18 -4.76 121.20 109.22 1whd s ILE 87 Ca 0.23 -1.30 -0.00 0.00 -0.99 0.00 0.00 60.65 58.59 1whd s ILE 87 Cb -0.01 -1.15 0.05 0.00 2.95 0.00 0.00 42.46 44.29 1whd s ILE 87 CO 0.12 -0.16 -0.06 -0.63 -1.79 0.00 0.00 174.94 172.42 1whd s ILE 88 N -1.19 2.66 -0.05 8.37 1.01 -1.26 -2.62 121.20 128.12 1whd s ILE 88 Ca -0.00 -1.38 0.05 0.00 0.00 0.00 0.00 60.65 59.32 1whd s ILE 88 Cb -0.10 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1whd s ILE 88 CO 0.02 0.01 -0.18 -1.48 0.00 0.00 0.00 174.94 173.31 1whd s LEU 89 N 1.22 2.50 -0.09 2.97 2.34 -0.88 -1.36 118.68 125.37 1whd s LEU 89 Ca -0.05 -0.31 0.00 0.00 0.06 0.00 0.00 54.13 53.84 1whd s LEU 89 Cb -0.19 -1.49 -0.03 0.00 -0.56 0.00 0.00 46.19 43.92 1whd s LEU 89 CO -0.03 0.31 -0.07 -0.22 -1.06 0.00 0.00 176.35 175.27 1whd s LEU 90 N -0.55 3.11 0.20 1.48 2.96 -0.26 -1.01 118.68 124.62 1whd s LEU 90 Ca 0.08 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1whd s LEU 90 Cb -0.11 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1whd s LEU 90 CO 0.01 0.30 0.15 0.68 -1.32 0.00 0.00 176.35 176.17 1whd s VAL 91 N -0.46 0.00 -0.14 1.68 -7.23 -0.99 -0.33 120.40 112.92 1whd s VAL 91 Ca 0.07 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1whd s VAL 91 Cb -0.12 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1whd s VAL 91 CO 0.02 0.00 -0.03 0.86 -0.31 0.00 0.00 175.10 175.64 1whd s TRP 92 N -4.15 3.05 0.04 2.82 -0.11 -1.14 -2.33 118.94 117.13 1whd s TRP 92 Ca 0.38 -0.19 0.04 0.00 1.22 0.00 0.00 56.10 57.55 1whd s TRP 92 Cb 0.07 -1.93 -0.02 0.00 -1.50 0.00 0.00 33.47 30.09 1whd s TRP 92 CO 0.12 0.07 -0.11 0.50 -4.62 0.00 0.00 176.95 172.91 1whd s ARG 93 N 0.12 0.71 -0.27 5.86 3.52 -1.21 -4.40 118.95 123.28 1whd s ARG 93 Ca -0.00 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 54.76 1whd s ARG 93 Cb -0.13 -0.63 -0.04 0.00 -1.56 0.00 0.00 34.95 32.58 1whd s ARG 93 CO 0.03 0.14 0.14 0.08 -0.81 0.00 0.00 175.30 174.88 1whd s VAL 94 N -1.06 4.88 -0.35 7.11 1.01 -1.26 -1.32 120.40 129.41 1whd s VAL 94 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1whd s VAL 94 Cb -0.09 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 33.06 1whd s VAL 94 CO 0.01 0.29 0.08 -0.94 0.00 0.00 0.00 175.10 174.54 1whd s SER 95 N 1.69 5.02 0.00 3.32 1.04 -1.26 -4.88 113.70 118.63 1whd s SER 95 Ca 0.07 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1whd s SER 95 Cb -0.16 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1whd s SER 95 CO 0.08 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1whd n GLY 96 N 4.58 -0.11 3.56 7.32 0.00 -1.26 -4.65 105.19 114.63 1whd n GLY 96 Ca -0.07 0.71 -0.27 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 2.54 0.97 1.61 0.04 -1.26 -4.96 135.00 133.94 1whd s PRO 97 Ca 0.00 -0.40 -0.11 0.00 0.04 0.00 0.00 61.00 60.53 1whd s PRO 97 Cb 0.00 -5.09 0.17 0.00 0.04 0.00 0.00 34.50 29.63 1whd s PRO 97 CO 0.00 -3.46 1.11 0.45 0.04 0.00 0.00 177.00 175.14 1whd s SER 98 N 7.85 2.57 -1.16 6.66 0.15 -1.26 -3.27 113.70 125.25 1whd s SER 98 Ca 0.70 1.92 -0.01 0.00 0.70 0.00 0.00 55.95 59.26 1whd s SER 98 Cb -0.06 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1whd s SER 98 CO 0.01 -3.27 0.02 -1.20 1.20 0.00 0.00 173.24 169.99 1whd n SER 99 N -4.33 0.60 0.00 5.45 7.64 -1.26 -5.32 113.62 116.40 1whd n SER 99 Ca 0.09 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1whd n SER 99 Cb 0.53 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1whd n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64