#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 2.38 -0.14 1.61 1.04 -1.26 -5.12 113.70 112.21 1whd s SER 2 Ca 0.00 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 1whd s SER 2 Cb 0.00 -0.95 -0.05 0.00 0.10 0.00 0.00 66.02 65.12 1whd s SER 2 CO 0.00 -0.10 0.25 -0.44 0.98 0.00 0.00 173.24 173.92 1whd s SER 3 N 1.63 6.43 -0.22 7.02 0.01 -1.26 -5.07 113.70 122.24 1whd s SER 3 Ca 0.05 0.50 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 1whd s SER 3 Cb -0.13 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1whd s SER 3 CO -0.09 0.19 0.45 -0.83 0.41 0.00 0.00 173.24 173.37 1whd s GLY 4 N 0.01 2.01 0.05 3.44 0.00 -1.26 -5.02 107.32 106.54 1whd s GLY 4 Ca 0.15 -0.55 -0.32 0.00 0.00 0.00 0.00 44.72 44.01 1whd s GLY 4 CO 0.04 0.99 1.89 1.44 0.00 0.00 0.00 173.10 177.45 1whd n SER 5 N 4.87 3.93 -4.93 1.64 7.64 -1.26 -4.97 113.62 120.52 1whd n SER 5 Ca -0.07 0.95 -0.25 0.00 1.01 0.00 0.00 58.87 60.52 1whd n SER 5 Cb 0.51 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 1whd n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whd s SER 6 N 3.62 6.34 -0.69 6.43 0.15 -1.26 -5.02 113.70 123.28 1whd s SER 6 Ca 0.87 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.95 1whd s SER 6 Cb -0.52 -2.03 0.42 0.00 -1.71 0.00 0.00 66.02 62.19 1whd s SER 6 CO 0.42 -0.19 1.95 0.61 1.20 0.00 0.00 173.24 177.23 1whd n GLY 7 N -1.33 5.82 0.15 9.45 0.00 -1.26 -4.46 105.19 113.57 1whd n GLY 7 Ca -0.05 -2.39 -0.21 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.79 0.58 -3.00 1.61 -0.58 -1.26 -5.11 120.64 112.08 1whd n GLU 8 Ca 0.59 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1whd n GLU 8 Cb 0.57 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1whd n GLY 9 N 1.97 -1.16 2.86 0.62 0.00 -1.26 -5.05 105.19 103.17 1whd n GLY 9 Ca -0.46 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 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 0.01 -3.50 -2.93 1.61 -0.08 -1.26 -4.93 116.55 105.47 1whd n ASP 10 Ca 0.00 -0.50 -0.12 0.00 -1.51 0.00 0.00 54.79 52.66 1whd n ASP 10 Cb 0.00 -4.08 0.10 0.00 2.34 0.00 0.00 41.12 39.48 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 -3.16 -1.87 -3.62 -0.67 -0.04 -1.26 -5.01 135.00 119.37 1whd n PRO 11 Ca -0.15 -0.70 -0.40 0.00 -0.04 0.00 0.00 63.50 62.21 1whd n PRO 11 Cb 0.61 -0.65 -0.11 0.00 -0.04 0.00 0.00 33.50 33.31 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 -3.99 2.75 -0.11 0.54 0.41 -1.26 -4.96 118.70 112.07 1whd s GLU 12 Ca 0.28 -1.17 -0.21 0.00 -0.41 0.00 0.00 54.97 53.46 1whd s GLU 12 Cb -0.03 -3.71 -0.18 0.00 -1.78 0.00 0.00 34.13 28.43 1whd s GLU 12 CO 0.22 -0.75 0.63 -2.95 -0.49 0.00 0.00 175.26 171.92 1whd h ASN 13 N 8.41 -0.02 -4.23 -0.19 7.08 -1.95 -3.47 115.58 121.21 1whd h ASN 13 Ca -0.25 -0.66 -0.48 0.00 -3.08 0.00 0.00 56.30 51.83 1whd h ASN 13 Cb 1.10 0.01 0.12 0.00 -2.08 0.00 0.00 38.32 37.46 1whd h ASN 13 CO 0.68 0.78 0.31 -0.83 -2.08 0.00 0.00 177.43 176.29 1whd s GLY 14 N -3.90 1.62 0.10 9.14 0.00 -1.26 -4.03 107.32 108.99 1whd s GLY 14 Ca -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.36 1whd s GLY 14 CO 0.50 0.25 0.04 -1.83 0.00 0.00 0.00 173.10 172.06 1whd s GLU 15 N -5.12 0.81 -0.28 2.90 -1.05 -0.31 -4.92 118.70 110.72 1whd s GLU 15 Ca 0.62 -1.32 -0.29 0.00 -0.15 0.00 0.00 54.97 53.83 1whd s GLU 15 Cb -0.15 0.24 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1whd s GLU 15 CO 0.55 -0.21 1.31 0.15 0.95 0.00 0.00 175.26 178.01 1whd s LYS 16 N -3.98 3.94 -0.01 -4.83 1.02 -1.26 -2.95 119.74 111.67 1whd s LYS 16 Ca 0.16 1.30 0.06 0.00 0.02 0.00 0.00 55.97 57.51 1whd s LYS 16 Cb 0.07 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1whd s LYS 16 CO -0.04 -1.08 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.62 1whd s LEU 17 N 4.31 2.03 0.11 3.17 1.43 -0.98 -5.03 118.68 123.73 1whd s LEU 17 Ca 0.57 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1whd s LEU 17 Cb -0.17 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1whd s LEU 17 CO 0.22 0.22 -0.17 -1.58 0.23 0.00 0.00 176.35 175.28 1whd s GLN 18 N -0.43 1.83 -0.06 1.70 0.74 -1.26 -1.42 119.66 120.76 1whd s GLN 18 Ca 0.07 -1.16 0.01 0.00 0.05 0.00 0.00 55.36 54.34 1whd s GLN 18 Cb -0.07 -2.14 0.02 0.00 1.10 0.00 0.00 33.01 31.92 1whd s GLN 18 CO -0.01 0.49 -0.07 0.42 -0.55 0.00 0.00 175.29 175.56 1whd s ILE 19 N -1.14 0.80 -0.26 -2.34 -1.09 -1.09 -5.00 121.20 111.07 1whd s ILE 19 Ca 0.18 -0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.24 1whd s ILE 19 Cb -0.11 -0.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.94 1whd s ILE 19 CO 0.10 0.29 0.16 -0.89 -1.23 0.00 0.00 174.94 173.37 1whd s THR 20 N 0.95 5.19 -0.09 2.92 2.01 -1.26 -3.06 115.64 122.30 1whd s THR 20 Ca -0.10 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1whd s THR 20 Cb -0.15 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1whd s THR 20 CO 0.00 0.30 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.38 1whd s ILE 21 N 1.48 1.93 0.11 1.82 1.01 -1.04 -4.90 121.20 121.61 1whd s ILE 21 Ca 0.07 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1whd s ILE 21 Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1whd s ILE 21 CO 0.08 0.53 -0.02 0.00 0.00 0.00 0.00 174.94 175.53 1whd s ARG 22 N 0.35 2.44 -0.88 2.79 1.70 -1.26 -1.68 118.95 122.41 1whd s ARG 22 Ca -0.17 -0.93 -0.25 0.00 -0.47 0.00 0.00 55.73 53.91 1whd s ARG 22 Cb -0.17 -2.46 -0.01 0.00 -0.57 0.00 0.00 34.95 31.74 1whd s ARG 22 CO 0.08 0.51 1.72 0.50 -1.08 0.00 0.00 175.30 177.03 1whd s ARG 23 N -2.44 2.95 -1.43 3.89 3.52 -0.58 -4.77 118.95 120.09 1whd s ARG 23 Ca 0.25 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.32 1whd s ARG 23 Cb -0.11 -4.98 -0.06 0.00 -1.56 0.00 0.00 34.95 28.24 1whd s ARG 23 CO 0.18 -2.81 2.62 0.41 -0.81 0.00 0.00 175.30 174.89 1whd n GLY 24 N 6.57 4.01 2.46 8.12 0.00 -1.26 -4.38 105.19 120.71 1whd n GLY 24 Ca 0.32 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 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 4.38 -1.43 -3.15 1.61 4.01 -1.26 -4.91 118.16 117.41 1whd n LYS 25 Ca 0.66 1.05 0.06 0.00 -0.51 0.00 0.00 58.31 59.57 1whd n LYS 25 Cb 0.26 -5.49 -0.01 0.00 -0.51 0.00 0.00 35.03 29.28 1whd n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1whd s ASP 26 N -2.47 -0.37 0.00 4.39 1.01 -1.26 -5.13 116.67 112.85 1whd s ASP 26 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1whd s ASP 26 Cb 0.00 1.27 0.00 0.00 1.01 0.00 0.00 42.92 45.20 1whd s ASP 26 CO 0.00 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1whd n GLY 27 N 5.29 1.79 0.09 0.21 0.00 -1.26 -4.24 105.19 107.07 1whd n GLY 27 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 10.15 0.00 0.00 1.61 3.72 -1.26 -3.98 117.46 127.70 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 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 3.08 1.37 3.29 1.37 0.00 -1.26 -4.19 105.19 108.85 1whd n GLY 29 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.38 -0.07 1.61 -0.71 -1.26 -2.24 117.98 112.93 1whd s PHE 30 Ca 0.00 0.87 0.03 0.00 -1.04 0.00 0.00 56.93 56.79 1whd s PHE 30 Cb 0.00 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1whd s PHE 30 CO 0.00 -0.27 -0.15 0.99 -1.34 0.00 0.00 175.22 174.45 1whd s THR 31 N -0.24 2.99 -0.09 -4.49 2.01 -0.85 -5.02 115.64 109.95 1whd s THR 31 Ca -0.04 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1whd s THR 31 Cb -0.03 -2.19 0.04 0.00 0.01 0.00 0.00 72.50 70.34 1whd s THR 31 CO 0.02 0.57 0.20 0.27 -0.69 0.00 0.00 174.62 174.99 1whd s ILE 32 N -0.40 -0.10 -0.20 1.82 -4.36 -1.26 -1.50 121.20 115.19 1whd s ILE 32 Ca 0.04 0.20 -0.08 0.00 -0.26 0.00 0.00 60.65 60.55 1whd s ILE 32 Cb -0.12 -0.32 0.09 0.00 1.25 0.00 0.00 42.46 43.36 1whd s ILE 32 CO 0.02 0.08 0.44 0.00 0.24 0.00 0.00 174.94 175.72 1whd s ASP 35 N -0.91 7.42 -0.18 0.00 1.47 -1.26 -2.23 116.67 120.99 1whd s ASP 35 Ca 0.08 1.75 -0.28 0.00 1.18 0.00 0.00 52.55 55.28 1whd s ASP 35 Cb -0.01 -2.58 -0.13 0.00 -0.34 0.00 0.00 42.92 39.86 1whd s ASP 35 CO -0.08 -0.17 0.87 -1.54 0.68 0.00 0.00 175.17 174.92 1whd n SER 36 N 3.33 0.42 -4.77 2.11 3.41 -1.12 -4.13 113.62 112.88 1whd n SER 36 Ca 0.04 0.75 -0.36 0.00 -0.26 0.00 0.00 58.87 59.05 1whd n SER 36 Cb 0.50 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.05 3.47 0.37 4.33 0.04 -1.25 -4.95 135.00 138.05 1whd s PRO 37 Ca 0.63 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 63.10 1whd s PRO 37 Cb -0.89 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 1whd s PRO 37 CO 0.45 -0.76 0.91 0.08 0.04 0.00 0.00 177.00 177.72 1whd s VAL 38 N -1.71 4.36 0.24 -0.36 1.01 -1.26 -4.88 120.40 117.80 1whd s VAL 38 Ca 0.70 1.56 0.01 0.00 0.00 0.00 0.00 61.98 64.25 1whd s VAL 38 Cb -0.25 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1whd s VAL 38 CO 0.29 -0.09 0.11 -0.60 0.00 0.00 0.00 175.10 174.80 1whd s ARG 39 N -2.64 1.34 0.07 2.72 3.52 -1.26 -2.02 118.95 120.67 1whd s ARG 39 Ca 0.55 -1.72 -0.18 0.00 -0.13 0.00 0.00 55.73 54.25 1whd s ARG 39 Cb -0.13 -0.10 -0.07 0.00 -1.56 0.00 0.00 34.95 33.09 1whd s ARG 39 CO 0.18 -0.32 0.55 0.08 -0.81 0.00 0.00 175.30 174.98 1whd s VAL 40 N -3.88 4.79 -0.14 7.11 1.01 -0.06 -3.36 120.40 125.87 1whd s VAL 40 Ca 0.38 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 1whd s VAL 40 Cb 0.08 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1whd s VAL 40 CO 0.13 0.54 -0.16 -0.61 0.00 0.00 0.00 175.10 175.00 1whd h GLN 41 N 4.49 0.00 -2.50 2.72 4.15 -1.57 -3.30 115.11 119.11 1whd h GLN 41 Ca -0.50 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.03 1whd h GLN 41 Cb 1.21 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.79 1whd h GLN 41 CO 0.63 0.01 0.42 0.00 -1.93 0.00 0.00 178.83 177.96 1whd s ALA 42 N -2.72 -1.66 0.02 3.38 0.00 -0.95 -4.70 121.76 115.14 1whd s ALA 42 Ca -0.14 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1whd s ALA 42 Cb 0.02 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1whd s ALA 42 CO 0.21 -0.87 -0.19 0.08 0.00 0.00 0.00 175.76 174.99 1whd s VAL 43 N -3.37 2.72 0.18 0.00 1.01 -1.26 -2.00 120.40 117.68 1whd s VAL 43 Ca 0.08 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1whd s VAL 43 Cb -0.02 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1whd s VAL 43 CO -0.04 0.40 0.94 -1.81 0.00 0.00 0.00 175.10 174.60 1whd s ASP 44 N -1.23 7.58 -0.27 3.32 1.01 -0.95 -5.01 116.67 121.12 1whd s ASP 44 Ca 0.13 1.87 -0.27 0.00 0.71 0.00 0.00 52.55 55.00 1whd s ASP 44 Cb -0.10 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1whd s ASP 44 CO 0.04 0.07 0.94 -0.94 0.21 0.00 0.00 175.17 175.48 1whd s SER 45 N -0.69 6.90 0.00 0.27 1.04 -1.26 -3.79 113.70 116.17 1whd s SER 45 Ca 0.43 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1whd s SER 45 Cb -0.25 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1whd s SER 45 CO 0.31 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1whd n GLY 46 N 3.75 0.89 3.42 7.32 0.00 -1.26 -5.10 105.19 114.21 1whd n GLY 46 Ca 0.08 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1whd n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1whd s GLY 47 N -2.60 2.27 0.43 -0.02 0.00 -1.25 -5.03 107.32 101.12 1whd s GLY 47 Ca 0.00 -1.62 0.30 0.00 0.00 0.00 0.00 44.72 43.40 1whd s GLY 47 CO 0.00 -1.71 1.88 -0.56 0.00 0.00 0.00 173.10 172.72 1whd h PRO 48 N 2.04 0.00 -0.05 2.90 0.13 -1.89 -2.87 132.00 132.26 1whd h PRO 48 Ca -0.35 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 1whd h PRO 48 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1whd h PRO 48 CO 0.56 0.00 -0.28 0.00 -0.23 0.00 0.00 178.00 178.05 1whd h ALA 49 N 2.11 0.10 0.47 -0.56 0.00 -1.79 -2.23 119.26 117.36 1whd h ALA 49 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1whd h ALA 49 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1whd h ALA 49 CO 0.00 0.13 -0.23 1.49 0.00 0.00 0.00 179.25 180.65 1whd h GLU 50 N -0.26 -0.61 -0.55 0.00 4.81 -1.75 -1.57 114.58 114.65 1whd h GLU 50 Ca -0.02 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1whd h GLU 50 Cb 0.94 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 1whd h GLU 50 CO 0.06 -0.32 0.06 0.00 -0.73 0.00 0.00 179.01 178.08 1whd h ARG 51 N -1.05 0.18 -0.86 1.92 3.08 -1.66 -0.81 114.38 115.18 1whd h ARG 51 Ca -0.06 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.18 1whd h ARG 51 Cb 0.57 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.46 1whd h ARG 51 CO 0.11 0.12 0.34 0.00 -1.07 0.00 0.00 179.97 179.47 1whd h ALA 52 N 1.46 1.31 0.00 0.04 0.00 -1.45 -3.45 119.26 117.17 1whd h ALA 52 Ca 0.29 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1whd h ALA 52 Cb 0.43 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1whd h ALA 52 CO -0.41 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 178.92 1whd n GLY 53 N -1.34 0.77 3.76 0.00 0.00 -0.31 -4.91 105.19 103.16 1whd n GLY 53 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 0.28 0.99 0.20 -0.60 -4.90 118.68 118.90 1whd s LEU 54 Ca 0.00 0.32 0.10 0.00 0.69 0.00 0.00 54.13 55.24 1whd s LEU 54 Cb 0.00 -2.13 -0.05 0.00 -0.43 0.00 0.00 46.19 43.58 1whd s LEU 54 CO 0.00 0.21 -0.04 -1.58 -0.29 0.00 0.00 176.35 174.65 1whd s GLN 55 N 0.10 2.14 0.41 1.98 0.74 -1.26 -4.59 119.66 119.18 1whd s GLN 55 Ca 0.11 -1.53 -0.05 0.00 0.05 0.00 0.00 55.36 53.94 1whd s GLN 55 Cb -0.12 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 1whd s GLN 55 CO 0.00 0.33 0.70 -1.14 -0.55 0.00 0.00 175.29 174.63 1whd s GLN 56 N -3.65 3.59 -1.03 1.67 0.74 -1.26 -4.23 119.66 115.50 1whd s GLN 56 Ca 0.32 0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.82 1whd s GLN 56 Cb -0.05 -2.48 0.00 0.00 1.10 0.00 0.00 33.01 31.58 1whd s GLN 56 CO 0.19 -0.04 0.28 1.28 -0.55 0.00 0.00 175.29 176.45 1whd n LEU 57 N -1.79 -2.09 -4.77 3.68 4.77 -1.24 -5.01 117.00 110.54 1whd n LEU 57 Ca -0.01 -0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 1whd n LEU 57 Cb 0.55 -2.07 -0.06 0.00 -2.33 0.00 0.00 43.42 39.51 1whd n LEU 57 CO 0.51 0.07 -0.26 -1.81 -1.33 0.00 0.00 177.39 174.57 1whd s ASP 58 N -2.71 5.46 -0.12 -1.43 1.11 -1.26 -4.86 116.67 112.86 1whd s ASP 58 Ca 0.14 -0.06 -0.09 0.00 0.18 0.00 0.00 52.55 52.72 1whd s ASP 58 Cb -0.06 -1.44 -0.04 0.00 1.07 0.00 0.00 42.92 42.45 1whd s ASP 58 CO 0.17 0.14 0.18 -0.89 1.18 0.00 0.00 175.17 175.96 1whd s THR 59 N -1.48 5.42 -0.26 -1.27 2.01 -1.26 -0.88 115.64 117.91 1whd s THR 59 Ca 0.29 0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.38 1whd s THR 59 Cb -0.12 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1whd s THR 59 CO 0.22 0.56 0.72 -0.69 -0.69 0.00 0.00 174.62 174.75 1whd s VAL 60 N -0.67 4.90 -0.14 3.82 1.01 -0.86 -2.53 120.40 125.94 1whd s VAL 60 Ca 0.15 1.27 -0.09 0.00 0.00 0.00 0.00 61.98 63.31 1whd s VAL 60 Cb -0.12 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1whd s VAL 60 CO 0.04 -0.06 -0.11 -0.07 0.00 0.00 0.00 175.10 174.90 1whd h LEU 61 N 9.11 0.00 -7.61 3.92 3.38 -1.52 -3.40 115.31 119.19 1whd h LEU 61 Ca -0.25 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 1whd h LEU 61 Cb 1.11 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 1whd h LEU 61 CO 0.83 0.77 -0.44 0.00 0.09 0.00 0.00 178.44 179.69 1whd s GLN 62 N -2.14 0.44 0.00 1.13 -2.07 -1.23 -2.40 119.66 113.39 1whd s GLN 62 Ca -0.13 -0.10 0.06 0.00 -1.82 0.00 0.00 55.36 53.37 1whd s GLN 62 Cb 0.02 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.11 1whd s GLN 62 CO 0.21 -0.10 -0.19 -1.17 -1.32 0.00 0.00 175.29 172.73 1whd s LEU 63 N -0.82 2.08 -1.56 2.60 0.20 0.23 -0.45 118.68 120.96 1whd s LEU 63 Ca -0.09 -0.39 -0.12 0.00 0.69 0.00 0.00 54.13 54.22 1whd s LEU 63 Cb -0.05 -0.93 0.09 0.00 -0.43 0.00 0.00 46.19 44.87 1whd s LEU 63 CO 0.02 0.20 0.80 0.59 -0.29 0.00 0.00 176.35 177.66 1whd n ASN 64 N 2.38 -3.25 -2.08 3.68 5.03 -0.59 0.43 115.26 120.87 1whd n ASN 64 Ca -0.16 -0.91 -0.19 0.00 0.87 0.00 0.00 54.58 54.19 1whd n ASN 64 Cb 0.54 -3.34 -0.02 0.00 -1.02 0.00 0.00 39.78 35.94 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 -4.50 -1.50 -4.27 3.52 1.02 -1.26 -4.98 120.64 108.67 1whd n GLU 65 Ca -0.03 0.97 -0.17 0.00 -0.02 0.00 0.00 57.16 57.91 1whd n GLU 65 Cb 0.55 -5.50 -0.13 0.00 -0.02 0.00 0.00 31.44 26.34 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 -4.75 0.71 0.04 3.49 0.52 0.17 -5.12 118.95 114.01 1whd s ARG 66 Ca 0.00 -0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.36 1whd s ARG 66 Cb 0.00 -0.66 -0.06 0.00 0.52 0.00 0.00 34.95 34.75 1whd s ARG 66 CO 0.00 0.16 1.42 -1.25 0.02 0.00 0.00 175.30 175.65 1whd s PRO 67 N -0.80 4.29 -0.08 3.54 0.04 -1.26 0.76 135.00 141.49 1whd s PRO 67 Ca -0.00 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.21 1whd s PRO 67 Cb -0.06 -3.47 0.28 0.00 0.04 0.00 0.00 34.50 31.29 1whd s PRO 67 CO 0.00 -0.54 1.13 1.33 0.04 0.00 0.00 177.00 178.97 1whd n VAL 68 N 4.43 0.95 0.07 -0.36 0.24 -1.01 -4.80 118.33 117.85 1whd n VAL 68 Ca 0.13 -1.55 -0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1whd n VAL 68 Cb 0.43 0.29 0.29 0.00 -1.47 0.00 0.00 33.84 33.38 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 0.50 0.34 -0.62 7.34 5.08 -1.76 -2.85 114.58 122.61 1whd h GLU 69 Ca -0.06 -0.11 -0.39 0.00 -1.00 0.00 0.00 59.36 57.80 1whd h GLU 69 Cb 1.35 -0.03 -0.24 0.00 0.50 0.00 0.00 28.75 30.33 1whd h GLU 69 CO 0.03 0.54 -0.03 1.58 -1.00 0.00 0.00 179.01 180.12 1whd n HIS 70 N -4.18 2.04 -4.16 4.33 -0.00 -1.26 -3.92 115.22 108.07 1whd n HIS 70 Ca -0.00 -2.05 -0.35 0.00 0.46 0.00 0.00 57.72 55.77 1whd n HIS 70 Cb 0.35 -0.67 -0.09 0.00 -0.12 0.00 0.00 29.99 29.45 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 -3.45 3.27 0.34 1.57 0.52 -1.08 -4.89 118.94 115.22 1whd s TRP 71 Ca 0.51 0.19 -0.11 0.00 0.02 0.00 0.00 56.10 56.71 1whd s TRP 71 Cb 0.43 -1.92 -0.07 0.00 -1.15 0.00 0.00 33.47 30.76 1whd s TRP 71 CO 0.01 0.39 0.70 0.15 0.02 0.00 0.00 176.95 178.22 1whd s LYS 72 N -0.43 3.83 0.33 4.98 1.02 -1.26 -2.78 119.74 125.44 1whd s LYS 72 Ca 0.09 0.45 0.09 0.00 0.02 0.00 0.00 55.97 56.62 1whd s LYS 72 Cb -0.12 -2.47 0.99 0.00 -0.52 0.00 0.00 37.83 35.71 1whd s LYS 72 CO 0.02 0.10 1.57 0.00 -0.92 0.00 0.00 175.35 176.12 1whd h VAL 74 N 0.01 1.29 -0.03 0.00 -1.51 -1.92 -0.00 116.25 114.08 1whd h VAL 74 Ca 0.70 -1.42 -0.14 0.00 -1.23 0.00 0.00 66.70 64.62 1whd h VAL 74 Cb 1.63 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 32.41 1whd h VAL 74 CO -0.86 0.43 -0.51 -0.33 -1.23 0.00 0.00 177.57 175.06 1whd h GLU 75 N 0.21 0.40 0.07 5.19 5.08 0.26 -3.23 114.58 122.58 1whd h GLU 75 Ca 0.02 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1whd h GLU 75 Cb 0.75 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1whd h GLU 75 CO 0.06 1.05 -0.04 1.25 -1.00 0.00 0.00 179.01 180.33 1whd h LEU 76 N -0.10 -0.08 -0.71 1.33 5.85 -0.37 -3.19 115.31 118.03 1whd h LEU 76 Ca -0.05 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.95 1whd h LEU 76 Cb 1.20 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 1whd h LEU 76 CO 0.10 -0.01 0.42 0.00 -0.34 0.00 0.00 178.44 178.61 1whd n ALA 77 N -2.13 0.72 0.15 1.25 0.00 -0.02 0.20 120.51 120.67 1whd n ALA 77 Ca -0.01 0.60 -0.14 0.00 0.00 0.00 0.00 53.44 53.89 1whd n ALA 77 Cb 0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.30 -0.69 0.00 -0.00 -1.60 -2.54 115.15 110.01 1whd h HIS 78 Ca 0.54 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.99 1whd h HIS 78 Cb 1.55 0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 28.99 1whd h HIS 78 CO -0.01 -0.11 0.35 1.49 -0.00 0.00 0.00 177.93 179.65 1whd h GLU 79 N -0.42 0.59 0.36 5.26 4.57 0.22 -2.09 114.58 123.06 1whd h GLU 79 Ca -0.03 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1whd h GLU 79 Cb 0.32 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1whd h GLU 79 CO 0.05 0.39 -0.52 0.82 -1.18 0.00 0.00 179.01 178.58 1whd h ILE 80 N 0.61 0.00 -0.98 2.32 2.04 -1.27 -1.86 117.51 118.37 1whd h ILE 80 Ca 0.33 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.40 1whd h ILE 80 Cb 0.33 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.31 1whd h ILE 80 CO -0.25 0.00 0.62 0.03 0.00 0.00 0.00 178.15 178.55 1whd h ARG 81 N -0.92 0.58 -0.72 2.37 -0.00 -1.18 -2.33 114.38 112.18 1whd h ARG 81 Ca -0.04 -0.03 0.11 0.00 -0.50 0.00 0.00 59.98 59.51 1whd h ARG 81 Cb 0.83 -0.13 -0.12 0.00 0.00 0.00 0.00 29.97 30.56 1whd h ARG 81 CO -0.15 0.38 -0.29 0.43 0.00 0.00 0.00 179.97 180.34 1whd n SER 82 N -4.66 -0.48 -4.24 7.04 7.64 -0.70 -3.08 113.62 115.14 1whd n SER 82 Ca 0.22 1.26 -0.42 0.00 1.01 0.00 0.00 58.87 60.95 1whd n SER 82 Cb 0.66 -0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whd h PRO 84 N 8.58 0.91 0.05 0.00 0.13 -1.77 -3.32 132.00 136.58 1whd h PRO 84 Ca -0.24 -0.48 0.01 0.00 -0.87 0.00 0.00 66.00 64.42 1whd h PRO 84 Cb 1.08 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1whd h PRO 84 CO 0.91 1.13 -0.25 0.66 -0.23 0.00 0.00 178.00 180.22 1whd h SER 85 N 0.74 -0.76 -5.14 1.44 4.64 -1.92 -3.35 113.55 109.21 1whd h SER 85 Ca 0.06 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1whd h SER 85 Cb 0.98 0.28 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 1whd h SER 85 CO 0.10 -0.26 -0.31 -0.70 -0.87 0.00 0.00 176.83 174.78 1whd s GLU 86 N -4.30 0.89 -0.08 4.77 -6.30 -1.25 -1.53 118.70 110.90 1whd s GLU 86 Ca -0.08 -0.91 -0.06 0.00 -2.50 0.00 0.00 54.97 51.42 1whd s GLU 86 Cb 0.03 0.37 0.03 0.00 0.00 0.00 0.00 34.13 34.55 1whd s GLU 86 CO 0.29 -0.30 0.20 0.96 0.02 0.00 0.00 175.26 176.43 1whd s ILE 87 N -3.85 -0.02 -0.14 -3.70 -5.25 -0.67 -4.70 121.20 102.86 1whd s ILE 87 Ca 0.05 0.07 -0.03 0.00 -0.99 0.00 0.00 60.65 59.74 1whd s ILE 87 Cb 0.04 -0.30 -0.03 0.00 2.95 0.00 0.00 42.46 45.13 1whd s ILE 87 CO -0.11 0.03 -0.03 -0.63 -1.79 0.00 0.00 174.94 172.40 1whd s ILE 88 N 0.57 3.95 -0.04 8.37 1.01 -1.26 -2.49 121.20 131.31 1whd s ILE 88 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1whd s ILE 88 Cb -0.05 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.73 1whd s ILE 88 CO -0.03 0.51 0.04 -1.48 0.00 0.00 0.00 174.94 173.98 1whd s LEU 89 N 0.13 0.48 0.01 2.97 2.34 -1.17 -1.54 118.68 121.90 1whd s LEU 89 Ca -0.01 0.02 -0.15 0.00 0.06 0.00 0.00 54.13 54.06 1whd s LEU 89 Cb -0.14 -0.21 -0.06 0.00 -0.56 0.00 0.00 46.19 45.22 1whd s LEU 89 CO 0.03 -0.20 0.43 -0.22 -1.06 0.00 0.00 176.35 175.32 1whd s LEU 90 N 1.85 4.48 0.21 1.48 2.96 0.41 -2.68 118.68 127.38 1whd s LEU 90 Ca 0.01 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1whd s LEU 90 Cb -0.12 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1whd s LEU 90 CO -0.03 0.31 0.13 0.68 -1.32 0.00 0.00 176.35 176.11 1whd s VAL 91 N -1.10 0.05 -0.14 1.68 -7.23 -0.51 -1.26 120.40 111.88 1whd s VAL 91 Ca 0.25 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1whd s VAL 91 Cb -0.17 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1whd s VAL 91 CO 0.14 0.00 0.05 0.86 -0.31 0.00 0.00 175.10 175.85 1whd s TRP 92 N -4.12 3.27 0.14 2.82 -0.11 -1.05 -2.31 118.94 117.58 1whd s TRP 92 Ca 0.39 0.16 0.06 0.00 1.22 0.00 0.00 56.10 57.93 1whd s TRP 92 Cb 0.07 -1.97 -0.04 0.00 -1.50 0.00 0.00 33.47 30.03 1whd s TRP 92 CO 0.12 0.32 -0.15 0.50 -4.62 0.00 0.00 176.95 173.13 1whd s ARG 93 N -0.20 1.09 -0.12 5.86 6.06 -1.15 -4.42 118.95 126.06 1whd s ARG 93 Ca 0.07 -1.30 0.03 0.00 -2.50 0.00 0.00 55.73 52.03 1whd s ARG 93 Cb -0.12 -0.97 0.00 0.00 0.06 0.00 0.00 34.95 33.92 1whd s ARG 93 CO 0.01 0.18 -0.23 0.08 -2.50 0.00 0.00 175.30 172.85 1whd s VAL 94 N -2.25 2.08 -0.03 7.11 1.01 -1.26 -1.17 120.40 125.89 1whd s VAL 94 Ca 0.11 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1whd s VAL 94 Cb -0.04 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1whd s VAL 94 CO 0.04 0.55 -0.19 -0.44 0.00 0.00 0.00 175.10 175.06 1whd s SER 95 N 0.58 2.36 0.00 3.32 0.01 -1.26 -4.89 113.70 113.82 1whd s SER 95 Ca -0.13 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1whd s SER 95 Cb -0.17 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1whd s SER 95 CO 0.04 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1whd n GLY 96 N 2.87 0.41 0.00 3.44 0.00 -1.26 -4.48 105.19 106.17 1whd n GLY 96 Ca -0.17 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1whd n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whd n PRO 97 N 0.00 0.49 -1.07 1.61 -0.04 -1.26 -4.84 135.00 129.89 1whd n PRO 97 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1whd n PRO 97 Cb 0.00 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1whd n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whd n SER 98 N -0.78 0.22 -4.62 3.54 2.88 -1.26 -4.72 113.62 108.87 1whd n SER 98 Ca 0.07 0.14 -0.43 0.00 -1.33 0.00 0.00 58.87 57.32 1whd n SER 98 Cb 0.03 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 62.80 1whd n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whd s SER 99 N 6.42 5.94 0.00 -3.46 0.15 -1.26 -5.15 113.70 116.34 1whd s SER 99 Ca 0.97 1.99 0.00 0.00 0.70 0.00 0.00 55.95 59.62 1whd s SER 99 Cb -0.91 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 60.88 1whd s SER 99 CO 0.36 -1.56 0.42 0.61 1.20 0.00 0.00 173.24 174.27