#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whm s SER 2 N 0.00 3.28 0.21 1.61 0.15 -1.26 -5.17 113.70 112.52 1whm s SER 2 Ca 0.00 -1.64 -0.16 0.00 0.70 0.00 0.00 55.95 54.85 1whm s SER 2 Cb 0.00 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 1whm s SER 2 CO 0.00 -0.87 0.52 -0.55 1.20 0.00 0.00 173.24 173.54 1whm s SER 3 N -3.70 -0.21 -0.34 5.45 0.15 -1.26 -5.05 113.70 108.74 1whm s SER 3 Ca 0.19 -0.59 0.08 0.00 0.70 0.00 0.00 55.95 56.33 1whm s SER 3 Cb 0.03 0.58 0.58 0.00 -1.71 0.00 0.00 66.02 65.50 1whm s SER 3 CO 0.11 -1.08 1.63 0.61 1.20 0.00 0.00 173.24 175.71 1whm n GLY 4 N -0.35 4.62 1.89 9.45 0.00 -1.26 -4.44 105.19 115.10 1whm n GLY 4 Ca -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 1whm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whm n SER 5 N -1.01 -0.87 -3.73 1.61 3.41 -1.26 -5.12 113.62 106.65 1whm n SER 5 Ca 0.41 -2.10 -0.12 0.00 -0.26 0.00 0.00 58.87 56.80 1whm n SER 5 Cb 1.25 0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 65.47 1whm n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whm s SER 6 N -1.33 -0.42 0.00 4.04 0.15 -1.26 -5.08 113.70 109.80 1whm s SER 6 Ca 0.08 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1whm s SER 6 Cb 0.24 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1whm s SER 6 CO -0.07 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1whm n GLY 7 N 3.28 -2.54 3.74 9.45 0.00 -1.26 -4.88 105.19 112.98 1whm n GLY 7 Ca -0.16 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1whm n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whm s PRO 8 N -1.40 2.04 0.04 1.61 0.04 -1.26 -4.98 135.00 131.09 1whm s PRO 8 Ca 0.00 1.34 -0.21 0.00 0.04 0.00 0.00 61.00 62.17 1whm s PRO 8 Cb 0.00 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.54 1whm s PRO 8 CO 0.00 -1.83 1.38 -1.00 0.04 0.00 0.00 177.00 175.58 1whm h PRO 9 N -1.05 0.31 -6.41 0.56 0.13 -1.96 -3.43 132.00 120.16 1whm h PRO 9 Ca -0.44 -0.15 -0.54 0.00 -0.87 0.00 0.00 66.00 64.00 1whm h PRO 9 Cb 1.25 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1whm h PRO 9 CO 0.49 0.66 0.43 -1.17 -0.23 0.00 0.00 178.00 178.18 1whm s LEU 10 N -9.22 4.36 0.02 1.56 2.96 -1.26 -5.00 118.68 112.11 1whm s LEU 10 Ca -0.14 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.17 1whm s LEU 10 Cb 0.05 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 1whm s LEU 10 CO 0.74 -0.32 1.44 -1.61 -1.32 0.00 0.00 176.35 175.27 1whm s GLU 11 N 1.14 4.27 0.62 1.98 2.02 -1.26 -4.92 118.70 122.56 1whm s GLU 11 Ca 0.53 2.03 -0.15 0.00 0.02 0.00 0.00 54.97 57.40 1whm s GLU 11 Cb -0.22 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 1whm s GLU 11 CO 0.27 -0.58 1.07 0.42 0.02 0.00 0.00 175.26 176.46 1whm s ILE 12 N 2.28 3.67 -1.73 -1.63 -1.09 -1.26 -3.47 121.20 117.96 1whm s ILE 12 Ca 0.65 0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 59.82 1whm s ILE 12 Cb -0.33 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1whm s ILE 12 CO 0.28 -0.50 0.10 0.59 -1.23 0.00 0.00 174.94 174.18 1whm n ASN 13 N -2.27 -5.93 -4.51 3.58 4.13 -0.82 -4.93 115.26 104.51 1whm n ASN 13 Ca 0.09 -0.06 -0.25 0.00 1.68 0.00 0.00 54.58 56.04 1whm n ASN 13 Cb 0.53 -4.90 -0.10 0.00 -1.54 0.00 0.00 39.78 33.77 1whm n ASN 13 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1whm s SER 14 N -2.17 3.86 -0.32 6.41 0.01 -1.23 -4.84 113.70 115.42 1whm s SER 14 Ca 0.05 -0.85 -0.25 0.00 1.31 0.00 0.00 55.95 56.21 1whm s SER 14 Cb -0.02 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.75 1whm s SER 14 CO 0.06 0.06 0.85 -0.13 0.41 0.00 0.00 173.24 174.49 1whm s ARG 15 N -3.30 3.94 -0.02 12.44 1.81 -1.26 -0.59 118.95 131.97 1whm s ARG 15 Ca 0.28 0.62 -0.03 0.00 -1.72 0.00 0.00 55.73 54.88 1whm s ARG 15 Cb -0.06 -3.75 0.00 0.00 -0.45 0.00 0.00 34.95 30.69 1whm s ARG 15 CO 0.15 -0.77 0.07 0.14 -0.68 0.00 0.00 175.30 174.21 1whm s VAL 16 N 3.15 0.04 0.68 3.52 -7.23 0.28 -4.30 120.40 116.54 1whm s VAL 16 Ca 0.35 -0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 1whm s VAL 16 Cb -0.13 -0.20 0.10 0.00 0.56 0.00 0.00 36.38 36.70 1whm s VAL 16 CO 0.14 -0.16 0.95 -0.44 -0.31 0.00 0.00 175.10 175.28 1whm s SER 17 N -0.50 4.61 -0.00 4.85 0.01 -0.02 0.10 113.70 122.76 1whm s SER 17 Ca -0.06 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.05 1whm s SER 17 Cb -0.04 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.77 1whm s SER 17 CO 0.00 -1.67 0.05 -0.76 0.41 0.00 0.00 173.24 171.28 1whm s LEU 18 N -5.09 1.86 -0.88 2.44 1.43 0.51 0.64 118.68 119.60 1whm s LEU 18 Ca 0.63 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 53.35 1whm s LEU 18 Cb -0.07 0.29 0.05 0.00 0.03 0.00 0.00 46.19 46.49 1whm s LEU 18 CO 0.43 -0.19 1.31 -0.75 0.23 0.00 0.00 176.35 177.38 1whm s LYS 19 N -0.76 3.41 -0.35 1.70 2.20 -0.47 -0.79 119.74 124.68 1whm s LYS 19 Ca -0.08 -0.87 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1whm s LYS 19 Cb -0.05 -4.80 0.00 0.00 -1.51 0.00 0.00 37.83 31.47 1whm s LYS 19 CO 0.00 -2.10 0.20 0.14 -0.36 0.00 0.00 175.35 173.23 1whm s VAL 20 N 4.88 4.84 0.00 4.02 -7.23 0.85 -4.93 120.40 122.83 1whm s VAL 20 Ca 0.38 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1whm s VAL 20 Cb -0.05 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1whm s VAL 20 CO 0.00 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1whm n GLY 21 N 5.04 1.02 0.71 2.32 0.00 -1.26 -1.60 105.19 111.41 1whm n GLY 21 Ca -0.13 0.39 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1whm n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whm n GLU 22 N 0.00 1.25 -3.90 1.61 1.02 -1.26 -5.05 120.64 114.30 1whm n GLU 22 Ca 0.00 -2.96 -0.08 0.00 -0.02 0.00 0.00 57.16 54.10 1whm n GLU 22 Cb 0.00 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1whm n GLU 22 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1whm s THR 23 N -2.57 0.00 0.11 2.62 -1.32 -0.63 -5.17 115.64 108.68 1whm s THR 23 Ca 0.36 -1.13 0.04 0.00 -1.21 0.00 0.00 61.69 59.75 1whm s THR 23 Cb 0.36 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 1whm s THR 23 CO -0.08 -0.01 0.07 -0.63 -2.21 0.00 0.00 174.62 171.77 1whm s ILE 24 N -3.95 4.38 -0.06 5.08 -1.09 -1.26 -0.10 121.20 124.20 1whm s ILE 24 Ca 0.15 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.64 1whm s ILE 24 Cb -0.04 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1whm s ILE 24 CO 0.07 0.06 0.02 -1.61 -1.23 0.00 0.00 174.94 172.25 1whm s GLU 25 N -2.57 0.35 0.66 2.79 0.41 0.03 -4.89 118.70 115.47 1whm s GLU 25 Ca 0.29 0.21 -0.18 0.00 -0.41 0.00 0.00 54.97 54.88 1whm s GLU 25 Cb -0.11 -0.81 -0.01 0.00 -1.78 0.00 0.00 34.13 31.42 1whm s GLU 25 CO 0.21 -0.32 1.25 0.43 -0.49 0.00 0.00 175.26 176.35 1whm n SER 26 N 5.20 1.85 -1.80 -0.19 7.64 -1.26 -0.36 113.62 124.70 1whm n SER 26 Ca -0.06 0.81 -0.02 0.00 1.01 0.00 0.00 58.87 60.61 1whm n SER 26 Cb 0.50 -1.54 0.01 0.00 -1.01 0.00 0.00 64.21 62.17 1whm n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 27 N 0.94 1.29 3.35 0.23 0.00 0.29 -4.08 105.19 107.21 1whm n GLY 27 Ca 0.16 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 1whm n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whm s THR 28 N -2.50 1.95 0.29 2.61 2.01 -0.48 0.10 115.64 119.62 1whm s THR 28 Ca 0.08 -1.86 -0.05 0.00 0.31 0.00 0.00 61.69 60.17 1whm s THR 28 Cb -0.01 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1whm s THR 28 CO 0.03 -0.19 0.55 -0.69 -0.69 0.00 0.00 174.62 173.63 1whm s VAL 29 N -1.72 5.02 0.00 3.82 1.01 0.24 0.99 120.40 129.77 1whm s VAL 29 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1whm s VAL 29 Cb -0.07 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1whm s VAL 29 CO 0.07 -0.31 0.00 2.30 0.00 0.00 0.00 175.10 177.15 1whm n ILE 30 N -0.91 0.00 -4.05 2.22 -5.35 -1.19 -1.95 119.36 108.13 1whm n ILE 30 Ca -0.02 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.20 1whm n ILE 30 Cb 0.54 -0.03 -0.17 0.00 -1.74 0.00 0.00 39.64 38.24 1whm n ILE 30 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1whm s PHE 31 N -1.31 1.55 -0.21 4.28 5.36 -1.24 -4.87 117.98 121.54 1whm s PHE 31 Ca 0.00 -0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 55.18 1whm s PHE 31 Cb 0.00 -1.24 0.07 0.00 -0.34 0.00 0.00 43.02 41.52 1whm s PHE 31 CO 0.00 -0.48 0.10 0.00 -1.46 0.00 0.00 175.22 173.38 1whm n ASP 33 N 5.26 0.00 -4.52 0.00 -0.08 -0.79 -4.63 116.55 111.79 1whm n ASP 33 Ca -0.07 -0.91 -0.25 0.00 -1.51 0.00 0.00 54.79 52.06 1whm n ASP 33 Cb 0.46 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.06 1whm n ASP 33 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1whm s VAL 34 N -2.17 2.01 0.14 5.18 -7.23 -1.26 -1.73 120.40 115.33 1whm s VAL 34 Ca 0.00 -0.52 0.10 0.00 -1.81 0.00 0.00 61.98 59.75 1whm s VAL 34 Cb 0.00 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1whm s VAL 34 CO 0.00 0.00 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.80 1whm s LEU 35 N -5.32 2.35 -0.00 1.32 1.43 -1.26 -4.88 118.68 112.32 1whm s LEU 35 Ca 0.70 -0.76 -0.36 0.00 -1.03 0.00 0.00 54.13 52.67 1whm s LEU 35 Cb -0.04 -1.02 -0.14 0.00 0.03 0.00 0.00 46.19 45.02 1whm s LEU 35 CO 0.47 0.09 1.63 -2.65 0.23 0.00 0.00 176.35 176.12 1whm n PRO 36 N 0.77 1.74 -2.20 1.29 -0.02 -1.26 -0.76 135.00 134.55 1whm n PRO 36 Ca -0.17 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 61.74 1whm n PRO 36 Cb 0.54 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1whm n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1whm n GLY 37 N 3.61 0.09 2.66 -1.23 0.00 -1.26 -4.82 105.19 104.24 1whm n GLY 37 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 1whm n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whm n LYS 38 N -2.84 1.45 0.07 1.61 5.02 0.06 -4.92 118.16 118.61 1whm n LYS 38 Ca -0.23 -2.23 -0.09 0.00 -2.02 0.00 0.00 58.31 53.74 1whm n LYS 38 Cb 0.68 -0.47 -0.13 0.00 -0.02 0.00 0.00 35.03 35.09 1whm n LYS 38 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1whm h GLU 39 N 1.67 0.07 0.00 1.97 5.08 -1.87 -3.25 114.58 118.25 1whm h GLU 39 Ca -0.31 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1whm h GLU 39 Cb 1.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1whm h GLU 39 CO -0.02 1.04 -0.27 0.77 -1.00 0.00 0.00 179.01 179.53 1whm h SER 40 N 0.02 0.00 0.23 1.42 0.02 -1.92 -3.12 113.55 110.20 1whm h SER 40 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1whm h SER 40 Cb 1.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.35 1whm h SER 40 CO 0.15 0.27 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.79 1whm h LEU 41 N 0.00 -0.65 0.00 5.07 3.38 -1.95 -3.49 115.31 117.67 1whm h LEU 41 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1whm h LEU 41 Cb 0.55 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1whm h LEU 41 CO 0.03 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.82 1whm n GLY 42 N -1.36 -0.51 2.65 0.83 0.00 -1.18 -5.08 105.19 100.55 1whm n GLY 42 Ca -0.08 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1whm n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whm s TYR 43 N 0.00 0.02 0.67 1.61 1.51 -1.26 -4.68 117.35 115.22 1whm s TYR 43 Ca 0.00 -0.97 -0.14 0.00 -1.01 0.00 0.00 57.07 54.95 1whm s TYR 43 Cb 0.00 -0.60 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1whm s TYR 43 CO 0.00 -0.91 1.11 -0.06 -1.11 0.00 0.00 175.55 174.58 1whm s PHE 44 N 1.52 2.64 -0.10 2.71 0.40 -0.71 -3.03 117.98 121.40 1whm s PHE 44 Ca 0.15 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.92 1whm s PHE 44 Cb -0.17 -3.15 0.03 0.00 0.51 0.00 0.00 43.02 40.24 1whm s PHE 44 CO -0.09 -1.67 0.31 0.08 0.70 0.00 0.00 175.22 174.54 1whm s VAL 45 N -2.41 0.01 -0.36 -0.44 1.01 0.15 -1.88 120.40 116.48 1whm s VAL 45 Ca 0.66 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1whm s VAL 45 Cb -0.20 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1whm s VAL 45 CO 0.43 -0.04 0.25 -0.83 0.00 0.00 0.00 175.10 174.91 1whm s GLY 46 N -0.05 1.98 -0.34 4.51 0.00 0.10 -0.90 107.32 112.61 1whm s GLY 46 Ca -0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.12 1whm s GLY 46 CO 0.01 0.81 0.22 0.14 0.00 0.00 0.00 173.10 174.28 1whm s VAL 47 N 1.71 5.07 -0.85 1.40 1.01 -0.72 -3.19 120.40 124.83 1whm s VAL 47 Ca 0.06 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1whm s VAL 47 Cb -0.18 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1whm s VAL 47 CO 0.10 -0.04 1.39 -0.62 0.00 0.00 0.00 175.10 175.93 1whm s ASP 48 N 1.68 6.23 0.89 3.32 -1.08 0.28 -2.08 116.67 125.91 1whm s ASP 48 Ca 0.05 -0.83 -0.11 0.00 -0.52 0.00 0.00 52.55 51.15 1whm s ASP 48 Cb -0.18 -2.56 0.13 0.00 -1.46 0.00 0.00 42.92 38.85 1whm s ASP 48 CO 0.09 -1.76 1.16 -0.04 0.52 0.00 0.00 175.17 175.15 1whm s MET 49 N 5.52 1.13 0.17 4.34 -1.94 -0.91 -1.38 119.30 126.23 1whm s MET 49 Ca 0.42 1.62 0.05 0.00 -1.71 0.00 0.00 55.69 56.06 1whm s MET 49 Cb -0.05 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 35.07 1whm s MET 49 CO 0.05 -2.57 1.40 0.22 -0.01 0.00 0.00 175.02 174.11 1whm h ASP 50 N -1.66 0.16 -2.34 3.03 3.58 -1.91 -3.46 116.42 113.82 1whm h ASP 50 Ca -0.44 -0.13 -0.53 0.00 0.42 0.00 0.00 57.03 56.35 1whm h ASP 50 Cb 1.28 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 42.21 1whm h ASP 50 CO 0.42 0.94 -0.57 0.20 -2.88 0.00 0.00 179.24 177.36 1whm s ASN 51 N -6.87 5.27 -1.14 2.28 0.01 -1.26 -5.03 114.94 108.20 1whm s ASN 51 Ca -0.02 -0.32 -0.23 0.00 -0.71 0.00 0.00 52.86 51.58 1whm s ASN 51 Cb 0.11 -1.27 -0.07 0.00 0.41 0.00 0.00 41.25 40.42 1whm s ASN 51 CO 0.81 -0.00 1.92 -2.16 -1.51 0.00 0.00 177.10 176.17 1whm s PRO 52 N -3.61 2.58 -0.01 -0.60 0.04 -1.26 -4.49 135.00 127.65 1whm s PRO 52 Ca 0.32 -1.05 0.20 0.00 0.04 0.00 0.00 61.00 60.52 1whm s PRO 52 Cb -0.08 -5.22 0.34 0.00 0.04 0.00 0.00 34.50 29.58 1whm s PRO 52 CO 0.23 -3.79 1.14 0.44 0.04 0.00 0.00 177.00 175.06 1whm n ILE 53 N 7.75 0.08 -2.19 0.56 -5.35 -1.25 -4.91 119.36 114.06 1whm n ILE 53 Ca 0.44 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1whm n ILE 53 Cb 0.47 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 1whm n ILE 53 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1whm n GLY 54 N 0.34 1.07 1.55 3.28 0.00 -1.26 -4.78 105.19 105.39 1whm n GLY 54 Ca 0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 1whm n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1whm n ASN 55 N -2.29 -0.32 -3.55 1.61 6.94 -1.19 -4.53 115.26 111.93 1whm n ASN 55 Ca 0.00 -1.12 -0.22 0.00 -0.02 0.00 0.00 54.58 53.21 1whm n ASN 55 Cb 0.00 0.14 -0.15 0.00 -2.36 0.00 0.00 39.78 37.41 1whm n ASN 55 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1whm s TRP 56 N 0.02 -0.03 0.34 -2.53 -0.00 -1.19 -4.98 118.94 110.57 1whm s TRP 56 Ca 0.02 -0.09 0.31 0.00 -0.00 0.00 0.00 56.10 56.34 1whm s TRP 56 Cb 0.08 -0.54 1.49 0.00 -0.00 0.00 0.00 33.47 34.50 1whm s TRP 56 CO -0.02 -0.57 2.06 0.22 -0.00 0.00 0.00 176.95 178.64 1whm h ASP 57 N 8.37 0.00 0.00 5.86 1.82 -1.84 -2.91 116.42 127.71 1whm h ASP 57 Ca -0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1whm h ASP 57 Cb 1.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1whm h ASP 57 CO 0.29 0.09 0.00 0.61 -1.61 0.00 0.00 179.24 178.62 1whm n GLY 58 N -0.45 0.59 3.41 -0.78 0.00 -1.26 -4.14 105.19 102.55 1whm n GLY 58 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1whm n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whm s ARG 59 N 0.83 1.43 -0.38 1.61 0.52 -1.26 -1.84 118.95 119.85 1whm s ARG 59 Ca 0.00 -1.47 0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1whm s ARG 59 Cb 0.00 0.38 0.14 0.00 0.52 0.00 0.00 34.95 35.99 1whm s ARG 59 CO 0.00 -0.55 0.22 0.12 0.02 0.00 0.00 175.30 175.11 1whm s PHE 60 N -3.99 1.21 -1.59 -0.53 5.36 0.29 -4.80 117.98 113.92 1whm s PHE 60 Ca 0.31 -1.93 -0.00 0.00 -0.96 0.00 0.00 56.93 54.34 1whm s PHE 60 Cb 0.03 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.41 1whm s PHE 60 CO 0.12 -0.81 0.03 -3.47 -1.46 0.00 0.00 175.22 169.63 1whm n ASP 61 N 3.86 -5.45 0.00 6.13 2.03 -1.26 -3.38 116.55 118.48 1whm n ASP 61 Ca 0.11 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1whm n ASP 61 Cb 0.36 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whm n GLY 62 N -1.05 2.73 3.76 0.27 0.00 -1.26 -5.09 105.19 104.55 1whm n GLY 62 Ca -0.22 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1whm n GLY 62 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1whm n VAL 63 N 0.00 1.59 -3.17 1.61 3.14 -1.22 -4.94 118.33 115.34 1whm n VAL 63 Ca 0.00 -0.40 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 1whm n VAL 63 Cb 0.00 -1.96 -0.07 0.00 -1.06 0.00 0.00 33.84 30.75 1whm n VAL 63 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1whm s GLN 64 N -1.43 3.29 -0.02 1.45 2.00 -1.26 0.10 119.66 123.79 1whm s GLN 64 Ca 0.58 -0.43 -0.02 0.00 -2.00 0.00 0.00 55.36 53.49 1whm s GLN 64 Cb -0.49 -3.93 -0.27 0.00 0.80 0.00 0.00 33.01 29.12 1whm s GLN 64 CO 0.57 -0.92 0.77 -0.07 -0.50 0.00 0.00 175.29 175.15 1whm h LEU 65 N 9.46 0.35 -7.02 3.68 3.38 -1.68 -3.43 115.31 120.05 1whm h LEU 65 Ca -0.26 -0.53 -0.59 0.00 0.09 0.00 0.00 57.88 56.59 1whm h LEU 65 Cb 1.10 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 41.34 1whm h LEU 65 CO 0.85 1.45 -0.76 0.00 0.09 0.00 0.00 178.44 180.08 1whm h SER 67 N 7.54 0.84 0.07 0.00 0.02 -1.84 -2.51 113.55 117.67 1whm h SER 67 Ca -0.08 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1whm h SER 67 Cb 0.98 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1whm h SER 67 CO 0.45 0.88 -0.15 -0.26 -1.14 0.00 0.00 176.83 176.60 1whm h PHE 68 N 0.83 0.20 -2.99 3.45 0.04 -1.93 -3.42 116.94 113.11 1whm h PHE 68 Ca 0.17 -0.02 -0.53 0.00 2.80 0.00 0.00 57.97 60.38 1whm h PHE 68 Cb 0.42 -0.06 0.02 0.00 2.20 0.00 0.00 35.95 38.54 1whm h PHE 68 CO 0.02 0.34 0.74 0.00 -0.60 0.00 0.00 178.31 178.81 1whm s ALA 69 N -4.68 3.60 0.25 2.45 0.00 -0.95 -5.02 121.76 117.41 1whm s ALA 69 Ca -0.05 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.11 1whm s ALA 69 Cb 0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1whm s ALA 69 CO 0.73 -0.63 0.09 0.00 0.00 0.00 0.00 175.76 175.94 1whm n VAL 71 N -0.95 3.68 -2.08 0.00 3.14 -1.10 -3.30 118.33 117.72 1whm n VAL 71 Ca -0.07 -3.05 -0.02 0.00 -2.96 0.00 0.00 64.34 58.24 1whm n VAL 71 Cb 0.58 -1.77 0.01 0.00 -1.06 0.00 0.00 33.84 31.60 1whm n VAL 71 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1whm n GLU 72 N 1.33 0.25 0.00 1.45 0.28 -1.26 -4.55 120.64 118.14 1whm n GLU 72 Ca 0.52 -0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1whm n GLU 72 Cb 0.53 0.37 0.00 0.00 1.43 0.00 0.00 31.44 33.77 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1whm n SER 73 N -0.28 0.00 -4.77 -1.84 2.88 -1.25 -3.85 113.62 104.52 1whm n SER 73 Ca -0.10 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.05 1whm n SER 73 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 1whm n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1whm s THR 74 N 0.00 3.09 -0.04 2.46 2.01 -1.21 -2.15 115.64 119.80 1whm s THR 74 Ca 0.00 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 62.96 1whm s THR 74 Cb 0.00 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1whm s THR 74 CO 0.00 0.14 0.05 -0.63 -0.69 0.00 0.00 174.62 173.49 1whm s ILE 75 N -1.32 -0.03 -0.44 1.82 1.01 -0.88 -3.17 121.20 118.18 1whm s ILE 75 Ca 0.54 0.35 -0.26 0.00 0.00 0.00 0.00 60.65 61.28 1whm s ILE 75 Cb -0.33 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1whm s ILE 75 CO 0.42 0.18 0.93 -0.22 0.00 0.00 0.00 174.94 176.25 1whm s LEU 76 N 1.93 3.99 0.28 2.97 2.96 -1.25 -1.76 118.68 127.80 1whm s LEU 76 Ca 0.02 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1whm s LEU 76 Cb -0.12 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 1whm s LEU 76 CO -0.03 -1.01 0.30 -0.76 -1.32 0.00 0.00 176.35 173.52 1whm s LEU 77 N 3.71 1.20 0.25 -0.68 1.43 -0.08 -4.85 118.68 119.67 1whm s LEU 77 Ca 0.37 -1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 51.71 1whm s LEU 77 Cb -0.10 0.85 -0.09 0.00 0.03 0.00 0.00 46.19 46.88 1whm s LEU 77 CO 0.25 -1.05 1.19 -2.28 0.23 0.00 0.00 176.35 174.69 1whm s HIS 78 N -3.67 3.40 0.31 0.29 2.46 -1.26 0.32 115.29 117.14 1whm s HIS 78 Ca 0.36 1.51 0.08 0.00 0.47 0.00 0.00 55.06 57.47 1whm s HIS 78 Cb 0.03 -3.44 0.84 0.00 -0.13 0.00 0.00 32.58 29.88 1whm s HIS 78 CO 0.18 -1.14 1.71 0.97 -2.47 0.00 0.00 174.74 173.99 1whm h ILE 79 N 3.38 0.50 -0.36 0.89 2.10 -1.87 0.82 117.51 122.96 1whm h ILE 79 Ca -0.46 -0.17 0.11 0.00 1.08 0.00 0.00 64.86 65.41 1whm h ILE 79 Cb 1.22 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 1whm h ILE 79 CO 0.70 0.09 0.29 -1.13 -1.08 0.00 0.00 178.15 177.02 1whm h ASN 80 N 0.49 0.00 0.94 2.19 -1.24 -1.91 0.29 115.58 116.35 1whm h ASN 80 Ca 0.62 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.52 1whm h ASN 80 Cb 1.20 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.23 1whm h ASN 80 CO -0.51 0.00 -0.52 0.44 -1.29 0.00 0.00 177.43 175.55 1whm h ASP 81 N 0.00 0.00 -3.98 1.15 5.19 0.31 -3.45 116.42 115.65 1whm h ASP 81 Ca 0.17 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.12 1whm h ASP 81 Cb 0.75 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1whm h ASP 81 CO -0.00 0.52 0.37 -0.63 -3.12 0.00 0.00 179.24 176.38 1whm s ILE 82 N -3.38 4.06 -0.48 0.35 1.01 0.10 -1.37 121.20 121.50 1whm s ILE 82 Ca 0.01 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1whm s ILE 82 Cb 0.11 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.97 1whm s ILE 82 CO 0.73 -0.07 0.25 -0.63 0.00 0.00 0.00 174.94 175.22 1whm s ILE 83 N -1.82 2.06 0.00 2.92 -1.09 0.21 -4.92 121.20 118.55 1whm s ILE 83 Ca 0.58 -2.98 0.00 0.00 -2.23 0.00 0.00 60.65 56.01 1whm s ILE 83 Cb -0.17 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1whm s ILE 83 CO 0.22 -0.84 0.00 -0.81 -1.23 0.00 0.00 174.94 172.27 1whm n PRO 84 N 3.30 -0.20 -1.82 2.79 -0.04 -1.26 -0.84 135.00 136.93 1whm n PRO 84 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1whm n PRO 84 Cb 0.33 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1whm n PRO 84 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1whm n GLU 85 N -1.03 1.41 -3.76 0.54 2.13 -1.26 -4.85 120.64 113.82 1whm n GLU 85 Ca 0.00 -0.44 -0.02 0.00 0.66 0.00 0.00 57.16 57.36 1whm n GLU 85 Cb 0.00 0.05 -0.00 0.00 0.27 0.00 0.00 31.44 31.76 1whm n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1whm s SER 86 N -1.41 -0.11 0.62 4.31 0.15 -1.26 -5.16 113.70 110.84 1whm s SER 86 Ca 0.04 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1whm s SER 86 Cb -0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1whm s SER 86 CO 0.02 -0.81 0.00 -1.20 1.20 0.00 0.00 173.24 172.46 1whm n SER 87 N -0.64 -7.99 0.00 5.45 7.64 -1.26 -5.05 113.62 111.77 1whm n SER 87 Ca -0.06 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1whm n SER 87 Cb 0.61 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 1whm n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 88 N -3.85 0.14 0.65 0.23 0.00 -1.26 -5.13 105.19 95.98 1whm n GLY 88 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1whm n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whm n PRO 89 N -0.80 -1.18 -1.47 1.61 -0.02 -1.26 -4.87 135.00 127.01 1whm n PRO 89 Ca 0.00 -0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.32 1whm n PRO 89 Cb 0.00 -0.35 -0.03 0.00 -0.02 0.00 0.00 33.50 33.10 1whm n PRO 89 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1whm n SER 90 N -2.28 -7.95 -1.81 2.55 3.41 -1.26 -5.01 113.62 101.27 1whm n SER 90 Ca 0.02 1.67 0.00 0.00 -0.26 0.00 0.00 58.87 60.30 1whm n SER 90 Cb 0.09 -4.85 0.00 0.00 -0.26 0.00 0.00 64.21 59.19 1whm n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whm n SER 91 N -3.18 -8.30 0.00 4.04 7.64 -1.26 -5.20 113.62 107.36 1whm n SER 91 Ca -0.03 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1whm n SER 91 Cb 0.54 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64