#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 -1.11 0.10 1.61 0.15 -1.26 -5.17 113.70 108.02 1whm s SER 2 Ca 0.00 1.49 0.02 0.00 0.70 0.00 0.00 55.95 58.16 1whm s SER 2 Cb 0.00 2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 66.54 1whm s SER 2 CO 0.00 -0.22 0.07 -1.20 1.20 0.00 0.00 173.24 173.09 1whm n SER 3 N 5.44 0.03 0.00 5.45 7.64 -1.26 -5.18 113.62 125.75 1whm n SER 3 Ca -0.11 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1whm n SER 3 Cb 0.49 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 1whm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 4 N 0.13 0.85 3.65 0.23 0.00 -1.26 -5.14 105.19 103.66 1whm n GLY 4 Ca 0.01 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1whm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whm s SER 5 N 0.00 5.32 -0.27 1.61 0.15 -1.26 -5.09 113.70 114.17 1whm s SER 5 Ca 0.00 0.11 -0.28 0.00 0.70 0.00 0.00 55.95 56.48 1whm s SER 5 Cb 0.00 -1.67 0.18 0.00 -1.71 0.00 0.00 66.02 62.82 1whm s SER 5 CO 0.00 0.30 1.30 -0.55 1.20 0.00 0.00 173.24 175.49 1whm s SER 6 N -0.42 -0.12 -0.31 5.45 0.15 -1.26 -5.13 113.70 112.06 1whm s SER 6 Ca 0.08 0.16 -0.10 0.00 0.70 0.00 0.00 55.95 56.79 1whm s SER 6 Cb -0.12 0.14 0.21 0.00 -1.71 0.00 0.00 66.02 64.55 1whm s SER 6 CO 0.02 -0.09 1.16 -0.83 1.20 0.00 0.00 173.24 174.71 1whm s GLY 7 N -0.69 -1.95 0.97 9.45 0.00 -1.26 -5.17 107.32 108.67 1whm s GLY 7 Ca 0.06 0.96 -0.13 0.00 0.00 0.00 0.00 44.72 45.61 1whm s GLY 7 CO -0.08 4.44 0.37 -1.05 0.00 0.00 0.00 173.10 176.78 1whm n PRO 8 N 2.77 -0.43 0.05 2.90 -0.02 -1.26 -4.94 135.00 134.07 1whm n PRO 8 Ca 0.09 -0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1whm n PRO 8 Cb 0.66 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 32.21 1whm n PRO 8 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1whm h PRO 9 N -1.62 -0.10 -6.18 0.52 0.13 -2.01 -3.43 132.00 119.32 1whm h PRO 9 Ca -0.44 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 1whm h PRO 9 Cb 1.29 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1whm h PRO 9 CO 0.35 0.19 0.26 -1.17 -0.23 0.00 0.00 178.00 177.39 1whm s LEU 10 N -9.63 4.31 0.45 1.56 2.96 -1.26 -5.01 118.68 112.06 1whm s LEU 10 Ca -0.15 1.38 -0.25 0.00 -0.22 0.00 0.00 54.13 54.90 1whm s LEU 10 Cb 0.03 -3.31 -0.09 0.00 0.50 0.00 0.00 46.19 43.32 1whm s LEU 10 CO 0.64 -0.23 1.30 -0.62 -1.32 0.00 0.00 176.35 176.13 1whm n GLU 11 N 4.08 1.92 -3.05 1.98 1.02 -1.26 -4.92 120.64 120.40 1whm n GLU 11 Ca 0.03 0.69 -0.35 0.00 -0.02 0.00 0.00 57.16 57.50 1whm n GLU 11 Cb 0.51 -2.44 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 1whm n GLU 11 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1whm s ILE 12 N -1.22 4.54 -1.76 -3.67 -1.09 -1.26 -3.81 121.20 112.92 1whm s ILE 12 Ca 0.63 1.29 -0.00 0.00 -2.23 0.00 0.00 60.65 60.34 1whm s ILE 12 Cb -0.48 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1whm s ILE 12 CO 0.56 0.09 0.03 0.59 -1.23 0.00 0.00 174.94 174.98 1whm n ASN 13 N 0.40 -5.90 -5.00 3.58 4.13 -1.02 -4.98 115.26 106.47 1whm n ASN 13 Ca -0.00 -0.02 -0.21 0.00 1.68 0.00 0.00 54.58 56.03 1whm n ASN 13 Cb 0.52 -4.90 0.04 0.00 -1.54 0.00 0.00 39.78 33.89 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 -2.08 5.06 -0.28 6.41 0.01 -1.25 -4.81 113.70 116.77 1whm s SER 14 Ca 0.01 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.35 1whm s SER 14 Cb -0.01 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.46 1whm s SER 14 CO 0.02 -1.23 0.01 -0.13 0.41 0.00 0.00 173.24 172.32 1whm s ARG 15 N -4.55 2.88 0.03 12.44 1.81 -1.26 -0.09 118.95 130.20 1whm s ARG 15 Ca 0.56 -0.97 0.01 0.00 -1.72 0.00 0.00 55.73 53.61 1whm s ARG 15 Cb -0.05 -3.17 -0.02 0.00 -0.45 0.00 0.00 34.95 31.25 1whm s ARG 15 CO 0.35 -0.45 -0.06 0.14 -0.68 0.00 0.00 175.30 174.60 1whm s VAL 16 N 1.39 0.36 0.56 3.52 -7.23 0.20 -4.20 120.40 115.00 1whm s VAL 16 Ca 0.00 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1whm s VAL 16 Cb -0.17 -0.44 0.04 0.00 0.56 0.00 0.00 36.38 36.37 1whm s VAL 16 CO -0.01 -0.36 0.79 -0.44 -0.31 0.00 0.00 175.10 174.76 1whm s SER 17 N -1.35 5.20 -0.03 4.85 0.01 0.65 0.11 113.70 123.14 1whm s SER 17 Ca -0.11 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.08 1whm s SER 17 Cb -0.09 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.41 1whm s SER 17 CO -0.00 -1.20 -0.02 -0.76 0.41 0.00 0.00 173.24 171.67 1whm s LEU 18 N -4.78 1.30 -0.74 2.44 1.43 0.55 0.70 118.68 119.58 1whm s LEU 18 Ca 0.58 -0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.35 1whm s LEU 18 Cb -0.10 -0.30 0.02 0.00 0.03 0.00 0.00 46.19 45.84 1whm s LEU 18 CO 0.39 -0.07 1.48 -0.75 0.23 0.00 0.00 176.35 177.63 1whm s LYS 19 N 0.87 3.05 -0.29 1.70 2.20 -0.80 -1.47 119.74 125.00 1whm s LYS 19 Ca -0.10 -0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1whm s LYS 19 Cb -0.13 -4.39 0.02 0.00 -1.51 0.00 0.00 37.83 31.82 1whm s LYS 19 CO -0.01 -2.37 0.04 0.14 -0.36 0.00 0.00 175.35 172.80 1whm s VAL 20 N 6.74 3.58 0.00 4.02 -7.23 0.03 -4.98 120.40 122.56 1whm s VAL 20 Ca 0.46 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1whm s VAL 20 Cb -0.08 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1whm s VAL 20 CO 0.13 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1whm n GLY 21 N 4.79 2.08 0.99 2.32 0.00 -1.26 -1.97 105.19 112.13 1whm n GLY 21 Ca -0.15 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 3.70 2.02 -3.43 1.61 1.02 -1.26 -5.02 120.64 119.28 1whm n GLU 22 Ca 0.00 -3.45 -0.12 0.00 -0.02 0.00 0.00 57.16 53.57 1whm n GLU 22 Cb 0.00 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.61 1whm n GLU 22 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1whm s THR 23 N -3.52 0.00 0.22 2.62 2.01 -0.83 -5.18 115.64 110.96 1whm s THR 23 Ca 0.42 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.45 1whm s THR 23 Cb 0.39 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1whm s THR 23 CO -0.04 -0.01 0.26 -0.63 -0.69 0.00 0.00 174.62 173.51 1whm s ILE 24 N -3.64 4.88 -0.12 1.82 -1.09 -1.26 -0.79 121.20 120.99 1whm s ILE 24 Ca 0.01 -1.09 -0.04 0.00 -2.23 0.00 0.00 60.65 57.30 1whm s ILE 24 Cb -0.01 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 1whm s ILE 24 CO -0.12 -0.26 0.13 -1.61 -1.23 0.00 0.00 174.94 171.85 1whm s GLU 25 N -3.67 0.04 0.42 2.79 0.41 -0.54 -4.91 118.70 113.24 1whm s GLU 25 Ca 0.33 0.26 -0.26 0.00 -0.41 0.00 0.00 54.97 54.89 1whm s GLU 25 Cb -0.09 -0.97 -0.09 0.00 -1.78 0.00 0.00 34.13 31.20 1whm s GLU 25 CO 0.27 -0.49 1.34 -1.12 -0.49 0.00 0.00 175.26 174.77 1whm s SER 26 N 2.22 6.19 0.27 -0.19 0.01 -1.26 -0.33 113.70 120.61 1whm s SER 26 Ca 0.04 2.73 -0.07 0.00 1.31 0.00 0.00 55.95 59.96 1whm s SER 26 Cb -0.14 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.07 -0.94 0.48 0.61 0.41 0.00 0.00 173.24 173.72 1whm n GLY 27 N 0.64 1.75 3.55 3.44 0.00 0.31 -4.09 105.19 110.78 1whm n GLY 27 Ca 0.04 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.51 3.21 0.22 2.61 2.01 -0.52 0.60 115.64 121.26 1whm s THR 28 Ca 0.16 -1.34 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 1whm s THR 28 Cb -0.02 -2.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.92 1whm s THR 28 CO 0.11 0.11 0.55 -0.69 -0.69 0.00 0.00 174.62 174.01 1whm s VAL 29 N -1.19 4.93 0.00 3.82 1.01 0.87 0.90 120.40 130.73 1whm s VAL 29 Ca 0.20 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1whm s VAL 29 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1whm s VAL 29 CO 0.13 -0.04 0.00 2.30 0.00 0.00 0.00 175.10 177.49 1whm n ILE 30 N -0.05 0.00 -4.55 2.22 -5.35 -1.21 -2.43 119.36 107.99 1whm n ILE 30 Ca -0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1whm n ILE 30 Cb 0.52 -0.05 -0.17 0.00 -1.74 0.00 0.00 39.64 38.20 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 2.24 -0.36 4.28 5.36 -1.24 -4.88 117.98 122.07 1whm s PHE 31 Ca 0.00 -1.09 0.01 0.00 -0.96 0.00 0.00 56.93 54.89 1whm s PHE 31 Cb 0.00 -1.57 0.15 0.00 -0.34 0.00 0.00 43.02 41.25 1whm s PHE 31 CO 0.00 -0.53 0.24 0.00 -1.46 0.00 0.00 175.22 173.47 1whm s ASP 33 N 0.85 0.03 0.70 0.00 1.01 -0.91 -4.79 116.67 113.55 1whm s ASP 33 Ca 0.21 -1.09 -0.05 0.00 0.71 0.00 0.00 52.55 52.33 1whm s ASP 33 Cb -0.17 0.82 0.08 0.00 1.01 0.00 0.00 42.92 44.66 1whm s ASP 33 CO -0.04 -1.61 0.99 0.68 0.21 0.00 0.00 175.17 175.40 1whm s VAL 34 N -2.60 2.30 0.23 -1.27 -7.23 -1.26 -2.19 120.40 108.38 1whm s VAL 34 Ca 0.16 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 60.03 1whm s VAL 34 Cb -0.05 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.94 1whm s VAL 34 CO 0.11 0.00 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.95 1whm s LEU 35 N -5.18 2.53 -0.01 1.32 1.43 -1.26 -4.91 118.68 112.60 1whm s LEU 35 Ca 0.62 -0.97 -0.36 0.00 -1.03 0.00 0.00 54.13 52.39 1whm s LEU 35 Cb -0.09 -0.97 -0.14 0.00 0.03 0.00 0.00 46.19 45.01 1whm s LEU 35 CO 0.44 -0.00 1.62 -2.65 0.23 0.00 0.00 176.35 175.99 1whm n PRO 36 N -0.25 1.69 -2.05 1.29 -0.02 -1.26 -0.78 135.00 133.63 1whm n PRO 36 Ca -0.08 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 61.87 1whm n PRO 36 Cb 0.59 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.58 0.21 1.26 -1.23 0.00 -1.26 -4.85 105.19 102.90 1whm n GLY 37 Ca 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.41 0.08 0.09 1.61 5.02 0.04 -4.92 118.16 117.67 1whm n LYS 38 Ca -0.16 -1.39 -0.07 0.00 -2.02 0.00 0.00 58.31 54.67 1whm n LYS 38 Cb 0.58 0.29 -0.02 0.00 -0.02 0.00 0.00 35.03 35.86 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 0.42 0.09 0.00 1.97 3.07 -1.83 -3.23 114.58 115.06 1whm h GLU 39 Ca -0.44 -0.11 -0.18 0.00 -0.50 0.00 0.00 59.36 58.13 1whm h GLU 39 Cb 1.57 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.49 1whm h GLU 39 CO -0.15 0.92 -0.88 0.77 -1.40 0.00 0.00 179.01 178.28 1whm h SER 40 N 0.04 0.00 -0.65 1.42 0.02 -1.92 -3.30 113.55 109.16 1whm h SER 40 Ca -0.03 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1whm h SER 40 Cb 1.56 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.05 1whm h SER 40 CO 0.13 0.86 0.39 -0.07 -1.14 0.00 0.00 176.83 177.00 1whm h LEU 41 N 0.00 0.61 0.00 5.07 3.38 -1.92 -3.48 115.31 118.96 1whm h LEU 41 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1whm h LEU 41 Cb 1.67 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1whm h LEU 41 CO 0.11 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1whm n GLY 42 N -1.28 -0.56 2.51 0.83 0.00 -1.24 -5.07 105.19 100.37 1whm n GLY 42 Ca 0.07 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.14 0.49 0.75 1.61 1.51 -1.26 -4.66 117.35 112.65 1whm s TYR 43 Ca 0.00 -1.33 -0.15 0.00 -1.01 0.00 0.00 57.07 54.58 1whm s TYR 43 Cb 0.00 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 41.05 1whm s TYR 43 CO 0.00 -0.84 1.23 -0.06 -1.11 0.00 0.00 175.55 174.77 1whm s PHE 44 N 1.39 1.89 -0.09 2.71 0.40 -0.93 -3.28 117.98 120.08 1whm s PHE 44 Ca 0.15 1.61 -0.07 0.00 -0.60 0.00 0.00 56.93 58.03 1whm s PHE 44 Cb -0.20 -3.55 0.03 0.00 0.51 0.00 0.00 43.02 39.80 1whm s PHE 44 CO -0.10 -2.87 0.23 0.08 0.70 0.00 0.00 175.22 173.26 1whm s VAL 45 N -1.90 -0.02 -0.42 -0.44 1.01 0.17 -2.15 120.40 116.66 1whm s VAL 45 Ca 0.76 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 1whm s VAL 45 Cb -0.31 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1whm s VAL 45 CO 0.47 0.02 0.40 -0.83 0.00 0.00 0.00 175.10 175.16 1whm s GLY 46 N 0.56 1.92 -0.23 4.51 0.00 -0.21 -0.94 107.32 112.93 1whm s GLY 46 Ca -0.04 -1.58 -0.14 0.00 0.00 0.00 0.00 44.72 42.96 1whm s GLY 46 CO -0.03 1.10 0.33 0.14 0.00 0.00 0.00 173.10 174.63 1whm s VAL 47 N 2.01 5.24 -0.84 1.40 1.01 -0.24 -3.34 120.40 125.63 1whm s VAL 47 Ca 0.10 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1whm s VAL 47 Cb -0.18 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.66 1whm s VAL 47 CO 0.13 0.26 1.07 -0.62 0.00 0.00 0.00 175.10 175.93 1whm s ASP 48 N 1.19 6.48 0.87 3.32 -1.08 0.26 -1.39 116.67 126.31 1whm s ASP 48 Ca 0.15 -1.71 -0.11 0.00 -0.52 0.00 0.00 52.55 50.36 1whm s ASP 48 Cb -0.15 -2.40 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 1whm s ASP 48 CO 0.08 -1.18 1.14 -0.04 0.52 0.00 0.00 175.17 175.68 1whm s MET 49 N 3.11 1.37 0.22 4.34 -1.94 -1.22 -1.44 119.30 123.74 1whm s MET 49 Ca 0.29 1.48 -0.01 0.00 -1.71 0.00 0.00 55.69 55.74 1whm s MET 49 Cb -0.09 -1.77 0.20 0.00 2.01 0.00 0.00 34.83 35.18 1whm s MET 49 CO -0.03 -2.36 1.57 0.22 -0.01 0.00 0.00 175.02 174.41 1whm h ASP 50 N -1.59 0.57 -2.64 3.03 1.82 -1.95 -3.45 116.42 112.22 1whm h ASP 50 Ca -0.43 -0.27 -0.56 0.00 -0.39 0.00 0.00 57.03 55.38 1whm h ASP 50 Cb 1.26 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 1whm h ASP 50 CO 0.44 0.94 -0.48 0.20 -1.61 0.00 0.00 179.24 178.73 1whm s ASN 51 N -6.87 6.24 -0.93 2.28 0.02 -1.26 -5.00 114.94 109.41 1whm s ASN 51 Ca -0.07 0.15 -0.23 0.00 -1.02 0.00 0.00 52.86 51.69 1whm s ASN 51 Cb 0.12 -1.86 -0.14 0.00 0.02 0.00 0.00 41.25 39.40 1whm s ASN 51 CO 0.82 0.07 1.92 -0.81 0.02 0.00 0.00 177.10 179.12 1whm n PRO 52 N -0.38 1.49 -0.91 -0.60 -0.04 -1.26 -4.49 135.00 128.80 1whm n PRO 52 Ca -0.07 -2.09 0.05 0.00 -0.04 0.00 0.00 63.50 61.35 1whm n PRO 52 Cb 0.54 -3.27 0.15 0.00 -0.04 0.00 0.00 33.50 30.87 1whm n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1whm n ILE 53 N 6.86 1.51 -2.65 0.52 -5.35 -0.71 -4.88 119.36 114.66 1whm n ILE 53 Ca 0.47 -2.55 -0.01 0.00 -0.27 0.00 0.00 62.75 60.40 1whm n ILE 53 Cb 0.43 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 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 -0.60 1.38 1.43 3.28 0.00 0.28 -4.87 105.19 106.09 1whm n GLY 54 Ca 0.15 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.98 -0.35 -3.67 1.61 6.94 -1.13 -4.36 115.26 111.32 1whm n ASN 55 Ca 0.01 -1.07 -0.16 0.00 -0.02 0.00 0.00 54.58 53.34 1whm n ASN 55 Cb 0.03 0.15 -0.15 0.00 -2.36 0.00 0.00 39.78 37.45 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 -0.26 -0.44 -2.53 -0.00 -1.06 -4.90 118.94 109.78 1whm s TRP 56 Ca 0.02 0.73 0.03 0.00 -0.00 0.00 0.00 56.10 56.88 1whm s TRP 56 Cb 0.08 -0.19 0.61 0.00 -0.00 0.00 0.00 33.47 33.97 1whm s TRP 56 CO -0.02 -0.30 1.87 -3.47 -0.00 0.00 0.00 176.95 175.03 1whm n ASP 57 N 5.33 4.03 -3.36 5.86 -0.08 -1.26 -1.89 116.55 125.18 1whm n ASP 57 Ca -0.05 -3.52 -0.16 0.00 -1.51 0.00 0.00 54.79 49.54 1whm n ASP 57 Cb 0.50 -0.83 0.08 0.00 2.34 0.00 0.00 41.12 43.21 1whm n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 58 N -1.02 -0.71 3.08 0.27 0.00 -1.26 -4.45 105.19 101.10 1whm n GLY 58 Ca 0.56 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 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 -4.96 0.53 -0.37 1.61 0.52 -1.26 -1.67 118.95 113.35 1whm s ARG 59 Ca 0.20 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1whm s ARG 59 Cb -0.03 0.20 0.14 0.00 0.52 0.00 0.00 34.95 35.78 1whm s ARG 59 CO 0.74 -0.12 0.21 0.12 0.02 0.00 0.00 175.30 176.27 1whm s PHE 60 N -2.58 1.01 -1.32 -0.53 5.36 0.30 -4.84 117.98 115.37 1whm s PHE 60 Ca -0.05 -1.79 0.00 0.00 -0.96 0.00 0.00 56.93 54.13 1whm s PHE 60 Cb -0.01 -1.15 0.00 0.00 -0.34 0.00 0.00 43.02 41.52 1whm s PHE 60 CO -0.05 -0.82 0.00 -3.47 -1.46 0.00 0.00 175.22 169.42 1whm n ASP 61 N 3.98 -4.62 0.00 6.13 -0.08 -1.26 -2.79 116.55 117.90 1whm n ASP 61 Ca 0.10 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1whm n ASP 61 Cb 0.37 -3.74 0.00 0.00 2.34 0.00 0.00 41.12 40.09 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 62 N -1.02 2.99 3.75 0.27 0.00 -1.26 -5.07 105.19 104.84 1whm n GLY 62 Ca -0.18 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1whm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whm s VAL 63 N -0.34 3.53 -0.18 1.61 0.11 -1.12 -5.01 120.40 119.00 1whm s VAL 63 Ca 0.00 1.42 -0.19 0.00 -2.93 0.00 0.00 61.98 60.28 1whm s VAL 63 Cb 0.00 -3.91 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1whm s VAL 63 CO 0.00 0.29 0.54 -1.58 -3.33 0.00 0.00 175.10 171.02 1whm s GLN 64 N -0.92 4.24 -0.10 1.54 2.00 -1.26 0.11 119.66 125.27 1whm s GLN 64 Ca 0.48 0.48 0.02 0.00 -2.00 0.00 0.00 55.36 54.34 1whm s GLN 64 Cb -0.32 -3.53 -0.08 0.00 0.80 0.00 0.00 33.01 29.88 1whm s GLN 64 CO 0.39 -0.09 -0.06 1.28 -0.50 0.00 0.00 175.29 176.31 1whm n LEU 65 N 4.55 2.29 -4.07 3.68 4.77 -0.67 -4.95 117.00 122.60 1whm n LEU 65 Ca -0.04 -0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 1whm n LEU 65 Cb 0.51 -0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1whm n LEU 65 CO 0.43 0.57 -0.46 0.00 -1.33 0.00 0.00 177.39 176.59 1whm h SER 67 N 7.79 0.34 0.87 0.00 4.64 -1.90 -3.10 113.55 122.19 1whm h SER 67 Ca -0.21 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1whm h SER 67 Cb 1.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1whm h SER 67 CO 0.47 1.11 0.00 0.49 -0.87 0.00 0.00 176.83 178.03 1whm n PHE 68 N -3.66 0.05 -1.25 4.77 3.72 -1.26 -4.84 117.46 114.99 1whm n PHE 68 Ca -0.05 0.02 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 1whm n PHE 68 Cb 0.84 -0.52 0.22 0.00 -0.94 0.00 0.00 39.48 39.08 1whm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1whm s ALA 69 N -3.01 0.95 -0.30 4.37 0.00 -1.17 -5.02 121.76 117.57 1whm s ALA 69 Ca 0.12 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 1whm s ALA 69 Cb 0.16 -2.88 0.20 0.00 0.00 0.00 0.00 23.12 20.59 1whm s ALA 69 CO 0.46 -3.31 1.21 0.00 0.00 0.00 0.00 175.76 174.12 1whm n VAL 71 N 3.19 1.34 0.00 0.00 3.14 -0.79 -2.94 118.33 122.27 1whm n VAL 71 Ca -0.17 -1.30 0.00 0.00 -2.96 0.00 0.00 64.34 59.91 1whm n VAL 71 Cb 0.56 -2.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.17 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 7.79 0.00 0.00 1.45 0.28 -1.26 -4.74 120.64 124.16 1whm n GLU 72 Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1whm n GLU 72 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1whm n SER 73 N -1.32 1.13 -4.69 -1.84 7.64 -1.15 0.10 113.62 113.49 1whm n SER 73 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1whm n SER 73 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1whm n SER 73 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1whm n THR 74 N -2.36 0.13 -3.87 0.44 -1.04 -1.16 -3.43 114.28 102.99 1whm n THR 74 Ca 0.00 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.05 61.70 1whm n THR 74 Cb 0.26 -1.82 -0.16 0.00 -1.82 0.00 0.00 70.33 66.79 1whm n THR 74 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1whm s ILE 75 N 1.67 1.10 -0.15 12.58 1.01 -0.49 -2.56 121.20 134.37 1whm s ILE 75 Ca 0.80 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 1whm s ILE 75 Cb -0.59 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1whm s ILE 75 CO 0.37 0.02 0.84 -0.22 0.00 0.00 0.00 174.94 175.95 1whm s LEU 76 N 1.62 4.19 0.31 2.97 2.96 -1.25 -1.08 118.68 128.39 1whm s LEU 76 Ca -0.01 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.00 1whm s LEU 76 Cb -0.16 -3.25 0.01 0.00 0.50 0.00 0.00 46.19 43.29 1whm s LEU 76 CO -0.07 -0.38 0.57 -0.76 -1.32 0.00 0.00 176.35 174.39 1whm s LEU 77 N 2.03 0.41 0.19 -0.68 1.43 -0.12 -4.88 118.68 117.06 1whm s LEU 77 Ca 0.39 -1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.07 1whm s LEU 77 Cb -0.17 2.01 -0.08 0.00 0.03 0.00 0.00 46.19 47.98 1whm s LEU 77 CO 0.13 -1.34 1.15 -2.28 0.23 0.00 0.00 176.35 174.24 1whm s HIS 78 N -3.32 3.51 0.32 0.29 2.46 -1.26 0.46 115.29 117.75 1whm s HIS 78 Ca 0.22 1.52 0.09 0.00 0.47 0.00 0.00 55.06 57.37 1whm s HIS 78 Cb -0.02 -3.35 0.88 0.00 -0.13 0.00 0.00 32.58 29.96 1whm s HIS 78 CO 0.13 -0.88 1.72 0.97 -2.47 0.00 0.00 174.74 174.21 1whm h ILE 79 N 3.71 0.51 -0.23 0.89 6.09 -1.89 0.79 117.51 127.37 1whm h ILE 79 Ca -0.45 -0.18 0.07 0.00 -1.37 0.00 0.00 64.86 62.93 1whm h ILE 79 Cb 1.21 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1whm h ILE 79 CO 0.73 0.10 0.18 -1.13 -3.07 0.00 0.00 178.15 174.96 1whm h ASN 80 N 0.53 0.00 1.55 2.19 -0.00 -1.91 0.18 115.58 118.12 1whm h ASN 80 Ca 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.89 1whm h ASN 80 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.55 1whm h ASN 80 CO -0.50 0.00 -0.25 0.44 -0.00 0.00 0.00 177.43 177.12 1whm h ASP 81 N 0.00 0.00 -4.01 1.15 3.32 0.24 -3.45 116.42 113.67 1whm h ASP 81 Ca 0.11 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.68 1whm h ASP 81 Cb 0.47 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.05 1whm h ASP 81 CO -0.00 0.25 0.41 -0.63 -1.72 0.00 0.00 179.24 177.55 1whm s ILE 82 N -3.20 3.70 -0.44 0.35 1.01 0.62 -1.90 121.20 121.34 1whm s ILE 82 Ca 0.04 1.20 0.02 0.00 0.00 0.00 0.00 60.65 61.91 1whm s ILE 82 Cb 0.07 -3.57 0.14 0.00 0.01 0.00 0.00 42.46 39.11 1whm s ILE 82 CO 0.69 -0.09 0.24 -0.63 0.00 0.00 0.00 174.94 175.14 1whm s ILE 83 N -1.78 1.40 0.00 2.92 1.01 0.22 -4.93 121.20 120.04 1whm s ILE 83 Ca 0.62 -2.54 0.00 0.00 0.00 0.00 0.00 60.65 58.73 1whm s ILE 83 Cb -0.20 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1whm s ILE 83 CO 0.25 -0.89 0.00 -0.81 0.00 0.00 0.00 174.94 173.49 1whm n PRO 84 N 3.56 -0.33 -4.08 2.79 -0.04 -1.26 -0.25 135.00 135.37 1whm n PRO 84 Ca 0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1whm n PRO 84 Cb 0.34 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.64 1whm n PRO 84 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1whm s GLU 85 N -2.48 1.10 -1.60 0.54 2.56 -1.26 -4.77 118.70 112.79 1whm s GLU 85 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.97 54.81 1whm s GLU 85 Cb 0.00 -1.15 0.00 0.00 2.00 0.00 0.00 34.13 34.98 1whm s GLU 85 CO 0.00 -0.16 0.17 0.43 -0.56 0.00 0.00 175.26 175.14 1whm n SER 86 N 4.48 -5.65 -3.29 -1.70 7.64 -1.26 -4.96 113.62 108.88 1whm n SER 86 Ca -0.17 -0.09 -0.07 0.00 1.01 0.00 0.00 58.87 59.54 1whm n SER 86 Cb 0.51 -4.63 -0.05 0.00 -1.01 0.00 0.00 64.21 59.03 1whm n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whm s SER 87 N -2.31 0.15 0.48 6.43 0.01 -1.26 -5.16 113.70 112.05 1whm s SER 87 Ca 0.08 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1whm s SER 87 Cb -0.04 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.41 1whm s SER 87 CO 0.10 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1whm n GLY 88 N 5.36 -1.16 0.14 3.44 0.00 -1.26 -4.68 105.19 107.04 1whm n GLY 88 Ca 0.01 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1whm n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whm h PRO 89 N 0.00 0.38 -1.33 1.61 0.13 -2.01 -3.48 132.00 127.30 1whm h PRO 89 Ca 0.00 -0.21 0.24 0.00 -0.87 0.00 0.00 66.00 65.17 1whm h PRO 89 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 1whm h PRO 89 CO 0.00 0.77 0.84 0.45 -0.23 0.00 0.00 178.00 179.83 1whm s SER 90 N -6.17 -0.12 -0.39 1.44 0.15 -1.26 -5.03 113.70 102.32 1whm s SER 90 Ca -0.14 0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.62 1whm s SER 90 Cb 0.05 0.12 0.57 0.00 -1.71 0.00 0.00 66.02 65.05 1whm s SER 90 CO 0.76 -0.17 1.68 -0.24 1.20 0.00 0.00 173.24 176.47 1whm n SER 91 N 0.16 3.48 0.00 5.45 2.88 -1.26 -5.24 113.62 119.09 1whm n SER 91 Ca -0.00 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 1whm n SER 91 Cb 0.58 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42