#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whm n SER 2 N 0.00 -0.62 -4.02 1.61 7.64 -1.26 -5.18 113.62 111.79 1whm n SER 2 Ca 0.00 -2.30 -0.08 0.00 1.01 0.00 0.00 58.87 57.50 1whm n SER 2 Cb 0.00 1.28 -0.10 0.00 -1.01 0.00 0.00 64.21 64.38 1whm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whm s SER 3 N -2.42 0.34 0.00 6.43 0.01 -1.26 -4.95 113.70 111.85 1whm s SER 3 Ca 0.22 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1whm s SER 3 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1whm s SER 3 CO 0.16 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1whm n GLY 4 N 0.81 2.49 3.93 3.44 0.00 -1.26 -5.05 105.19 109.56 1whm n GLY 4 Ca -0.19 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1whm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whm s SER 5 N 0.00 6.37 -0.19 1.61 1.04 -1.26 -5.10 113.70 116.17 1whm s SER 5 Ca 0.00 0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 1whm s SER 5 Cb 0.00 -1.98 0.06 0.00 0.10 0.00 0.00 66.02 64.20 1whm s SER 5 CO 0.00 -0.02 0.04 -0.55 0.98 0.00 0.00 173.24 173.69 1whm s SER 6 N -3.21 2.81 0.00 7.02 0.15 -1.26 -5.05 113.70 114.15 1whm s SER 6 Ca 0.37 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1whm s SER 6 Cb -0.11 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1whm s SER 6 CO 0.29 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1whm n GLY 7 N 5.08 0.63 3.76 9.45 0.00 -1.26 -5.05 105.19 117.80 1whm n GLY 7 Ca -0.09 -2.32 -0.40 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.87 4.50 0.03 1.61 0.04 -1.26 -4.97 135.00 134.07 1whm s PRO 8 Ca 0.00 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 1whm s PRO 8 Cb 0.00 -3.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.25 1whm s PRO 8 CO 0.00 0.01 1.29 -1.00 0.04 0.00 0.00 177.00 177.35 1whm h PRO 9 N 3.63 0.35 -6.59 0.56 0.13 -1.97 -3.44 132.00 124.67 1whm h PRO 9 Ca -0.48 -0.21 -0.53 0.00 -0.87 0.00 0.00 66.00 63.92 1whm h PRO 9 Cb 1.22 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1whm h PRO 9 CO 0.66 0.79 0.56 -1.17 -0.23 0.00 0.00 178.00 178.61 1whm s LEU 10 N -8.98 4.42 0.24 1.56 2.96 -1.26 -4.97 118.68 112.65 1whm s LEU 10 Ca -0.14 2.14 -0.31 0.00 -0.22 0.00 0.00 54.13 55.60 1whm s LEU 10 Cb 0.05 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.03 1whm s LEU 10 CO 0.76 -0.40 1.59 -1.61 -1.32 0.00 0.00 176.35 175.37 1whm s GLU 11 N 0.29 4.16 0.37 1.98 2.02 -1.26 -4.97 118.70 121.28 1whm s GLU 11 Ca 0.55 2.50 -0.24 0.00 0.02 0.00 0.00 54.97 57.80 1whm s GLU 11 Cb -0.31 -3.07 -0.10 0.00 0.10 0.00 0.00 34.13 30.75 1whm s GLU 11 CO 0.33 -0.62 0.96 0.42 0.02 0.00 0.00 175.26 176.37 1whm s ILE 12 N 0.46 4.22 -1.68 -1.63 -1.09 -1.26 -3.60 121.20 116.62 1whm s ILE 12 Ca 0.66 1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 60.73 1whm s ILE 12 Cb -0.47 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1whm s ILE 12 CO 0.41 -0.03 0.13 0.59 -1.23 0.00 0.00 174.94 174.81 1whm n ASN 13 N 0.07 -5.83 -4.92 3.58 4.13 -0.96 -4.97 115.26 106.37 1whm n ASN 13 Ca 0.04 -0.08 -0.26 0.00 1.68 0.00 0.00 54.58 55.96 1whm n ASN 13 Cb 0.51 -4.80 0.01 0.00 -1.54 0.00 0.00 39.78 33.96 1whm n ASN 13 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1whm n SER 14 N -1.98 2.74 -4.34 6.41 7.64 -1.24 -4.84 113.62 118.01 1whm n SER 14 Ca -0.21 -2.90 -0.35 0.00 1.01 0.00 0.00 58.87 56.41 1whm n SER 14 Cb 0.67 -0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.65 1whm n SER 14 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1whm s ARG 15 N -4.35 3.41 -0.02 1.43 1.81 -1.26 -0.46 118.95 119.51 1whm s ARG 15 Ca 0.35 -0.61 -0.08 0.00 -1.72 0.00 0.00 55.73 53.67 1whm s ARG 15 Cb -0.03 -3.09 0.01 0.00 -0.45 0.00 0.00 34.95 31.39 1whm s ARG 15 CO 0.22 -0.21 0.18 0.14 -0.68 0.00 0.00 175.30 174.96 1whm s VAL 16 N 1.51 0.05 0.66 3.52 -7.23 0.28 -4.10 120.40 115.08 1whm s VAL 16 Ca 0.06 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1whm s VAL 16 Cb -0.15 -0.41 0.09 0.00 0.56 0.00 0.00 36.38 36.47 1whm s VAL 16 CO -0.02 -0.24 0.91 -0.44 -0.31 0.00 0.00 175.10 175.00 1whm s SER 17 N -0.90 4.71 -0.01 4.85 0.01 0.33 0.11 113.70 122.79 1whm s SER 17 Ca -0.10 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1whm s SER 17 Cb -0.05 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 65.84 1whm s SER 17 CO 0.02 -1.58 0.01 -0.76 0.41 0.00 0.00 173.24 171.33 1whm s LEU 18 N -5.00 1.44 -0.87 2.44 1.43 0.46 0.57 118.68 119.15 1whm s LEU 18 Ca 0.63 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.49 1whm s LEU 18 Cb -0.07 -0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.11 1whm s LEU 18 CO 0.42 -0.07 1.41 -0.75 0.23 0.00 0.00 176.35 177.59 1whm s LYS 19 N 0.65 3.33 -0.25 1.70 2.20 -0.36 -0.70 119.74 126.31 1whm s LYS 19 Ca -0.06 -0.62 -0.08 0.00 -0.36 0.00 0.00 55.97 54.85 1whm s LYS 19 Cb -0.08 -4.78 -0.03 0.00 -1.51 0.00 0.00 37.83 31.43 1whm s LYS 19 CO -0.02 -2.25 0.09 0.14 -0.36 0.00 0.00 175.35 172.95 1whm s VAL 20 N 5.68 4.54 0.00 4.02 -7.23 0.14 -4.94 120.40 122.61 1whm s VAL 20 Ca 0.43 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1whm s VAL 20 Cb -0.04 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1whm s VAL 20 CO 0.03 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 1whm n GLY 21 N 4.76 1.18 0.48 2.32 0.00 -1.26 -1.17 105.19 111.50 1whm n GLY 21 Ca -0.16 0.44 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 1.49 -3.88 1.61 1.02 -1.26 -5.04 120.64 114.59 1whm n GLU 22 Ca 0.00 -3.11 -0.08 0.00 -0.02 0.00 0.00 57.16 53.94 1whm n GLU 22 Cb 0.00 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 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 -3.11 0.01 0.16 2.62 -1.32 -0.31 -5.18 115.64 108.50 1whm s THR 23 Ca 0.36 -1.09 0.07 0.00 -1.21 0.00 0.00 61.69 59.82 1whm s THR 23 Cb 0.35 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 1whm s THR 23 CO -0.05 -0.03 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.70 1whm s ILE 24 N -3.94 3.72 -0.09 5.08 -1.09 -1.26 0.28 121.20 123.90 1whm s ILE 24 Ca 0.15 -1.37 -0.02 0.00 -2.23 0.00 0.00 60.65 57.18 1whm s ILE 24 Cb -0.03 -2.85 0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1whm s ILE 24 CO 0.05 -0.07 0.02 -1.61 -1.23 0.00 0.00 174.94 172.10 1whm s GLU 25 N -2.83 0.50 0.40 2.79 0.41 0.12 -4.89 118.70 115.20 1whm s GLU 25 Ca 0.27 0.06 -0.27 0.00 -0.41 0.00 0.00 54.97 54.62 1whm s GLU 25 Cb -0.10 -1.11 -0.10 0.00 -1.78 0.00 0.00 34.13 31.04 1whm s GLU 25 CO 0.18 -0.37 1.44 -1.12 -0.49 0.00 0.00 175.26 174.90 1whm s SER 26 N 1.99 6.23 0.24 -0.19 0.01 -1.26 -0.40 113.70 120.32 1whm s SER 26 Ca 0.04 2.95 -0.06 0.00 1.31 0.00 0.00 55.95 60.19 1whm s SER 26 Cb -0.13 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.46 1whm s SER 26 CO -0.06 -0.94 0.42 0.61 0.41 0.00 0.00 173.24 173.69 1whm n GLY 27 N 0.54 1.82 3.45 3.44 0.00 0.30 -4.02 105.19 110.72 1whm n GLY 27 Ca 0.02 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.54 2.55 0.20 2.61 2.01 -0.08 1.00 115.64 121.39 1whm s THR 28 Ca 0.13 -1.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.13 1whm s THR 28 Cb -0.02 -2.21 -0.07 0.00 0.01 0.00 0.00 72.50 70.20 1whm s THR 28 CO 0.10 -0.07 0.58 -0.69 -0.69 0.00 0.00 174.62 173.86 1whm s VAL 29 N -1.54 4.84 0.00 3.82 1.01 0.39 0.94 120.40 129.86 1whm s VAL 29 Ca 0.20 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1whm s VAL 29 Cb -0.09 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1whm s VAL 29 CO 0.10 0.10 0.00 2.30 0.00 0.00 0.00 175.10 177.60 1whm n ILE 30 N 0.38 0.00 -4.63 2.22 -5.35 -1.18 -2.26 119.36 108.54 1whm n ILE 30 Ca -0.02 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.23 1whm n ILE 30 Cb 0.52 -0.07 -0.15 0.00 -1.74 0.00 0.00 39.64 38.19 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 -1.34 1.28 -0.31 4.28 5.36 -1.21 -4.88 117.98 121.15 1whm s PHE 31 Ca 0.00 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1whm s PHE 31 Cb 0.00 -0.85 0.16 0.00 -0.34 0.00 0.00 43.02 42.00 1whm s PHE 31 CO 0.00 -0.07 0.42 0.00 -1.46 0.00 0.00 175.22 174.12 1whm n ASP 33 N 5.13 -0.61 -4.65 0.00 8.00 -0.47 -4.63 116.55 119.32 1whm n ASP 33 Ca 0.03 -1.40 -0.22 0.00 0.71 0.00 0.00 54.79 53.91 1whm n ASP 33 Cb 0.49 1.02 0.11 0.00 -0.02 0.00 0.00 41.12 42.72 1whm n ASP 33 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1whm n VAL 34 N -0.17 0.00 -4.15 2.53 0.24 -1.26 -0.81 118.33 114.70 1whm n VAL 34 Ca -0.02 -1.66 -0.14 0.00 -2.04 0.00 0.00 64.34 60.48 1whm n VAL 34 Cb 0.17 -0.80 -0.11 0.00 -1.47 0.00 0.00 33.84 31.63 1whm n VAL 34 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1whm s LEU 35 N 0.00 2.38 0.09 1.34 1.43 -1.26 -4.87 118.68 117.78 1whm s LEU 35 Ca 0.65 -0.77 -0.35 0.00 -1.03 0.00 0.00 54.13 52.63 1whm s LEU 35 Cb -0.04 -0.27 -0.15 0.00 0.03 0.00 0.00 46.19 45.76 1whm s LEU 35 CO 0.43 -0.26 1.51 -2.65 0.23 0.00 0.00 176.35 175.62 1whm n PRO 36 N 0.73 1.70 -2.24 1.29 -0.02 -1.26 -0.87 135.00 134.33 1whm n PRO 36 Ca -0.17 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.72 1whm n PRO 36 Cb 0.57 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 3.17 -0.02 1.47 -1.23 0.00 -1.26 -4.82 105.19 102.50 1whm n GLY 37 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.88 0.19 0.09 1.61 5.02 -0.04 -4.90 118.16 117.24 1whm n LYS 38 Ca -0.24 -1.71 -0.08 0.00 -2.02 0.00 0.00 58.31 54.26 1whm n LYS 38 Cb 0.69 0.09 -0.04 0.00 -0.02 0.00 0.00 35.03 35.75 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 0.75 0.14 -0.00 1.97 5.08 -1.85 -3.20 114.58 117.46 1whm h GLU 39 Ca -0.36 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 57.72 1whm h GLU 39 Cb 1.65 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1whm h GLU 39 CO -0.05 0.96 -0.53 1.03 -1.00 0.00 0.00 179.01 179.42 1whm h SER 40 N 0.07 0.01 -0.60 1.42 0.87 -1.92 -2.98 113.55 110.40 1whm h SER 40 Ca -0.04 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1whm h SER 40 Cb 1.59 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.51 1whm h SER 40 CO 0.14 0.54 0.40 -0.07 -0.53 0.00 0.00 176.83 177.30 1whm h LEU 41 N 0.00 0.59 0.00 2.23 3.38 -1.93 -3.48 115.31 116.11 1whm h LEU 41 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1whm h LEU 41 Cb 0.94 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1whm h LEU 41 CO 0.07 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1whm n GLY 42 N -1.46 0.53 2.61 0.83 0.00 -1.13 -5.03 105.19 101.54 1whm n GLY 42 Ca 0.07 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 0.10 0.70 1.61 2.02 -1.26 -4.72 117.35 115.80 1whm s TYR 43 Ca 0.00 -0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 55.92 1whm s TYR 43 Cb 0.00 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.83 1whm s TYR 43 CO 0.00 -0.82 1.19 -0.06 -1.57 0.00 0.00 175.55 174.29 1whm s PHE 44 N 2.17 2.17 -0.06 2.71 0.40 0.01 -3.16 117.98 122.23 1whm s PHE 44 Ca 0.09 1.58 -0.03 0.00 -0.60 0.00 0.00 56.93 57.97 1whm s PHE 44 Cb -0.15 -3.43 0.04 0.00 0.51 0.00 0.00 43.02 39.98 1whm s PHE 44 CO -0.33 -2.43 0.14 0.08 0.70 0.00 0.00 175.22 173.38 1whm s VAL 45 N -1.99 -0.04 -0.36 -0.44 1.01 0.24 -1.37 120.40 117.45 1whm s VAL 45 Ca 0.74 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 1whm s VAL 45 Cb -0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1whm s VAL 45 CO 0.43 0.07 0.39 -0.83 0.00 0.00 0.00 175.10 175.16 1whm s GLY 46 N 1.05 1.89 -0.18 4.51 0.00 0.68 -0.84 107.32 114.43 1whm s GLY 46 Ca -0.08 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.34 1whm s GLY 46 CO -0.05 1.06 0.05 0.14 0.00 0.00 0.00 173.10 174.30 1whm s VAL 47 N 2.09 4.67 -0.68 1.40 1.01 0.37 -3.12 120.40 126.13 1whm s VAL 47 Ca 0.13 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1whm s VAL 47 Cb -0.16 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.23 1whm s VAL 47 CO 0.12 0.45 0.78 -0.62 0.00 0.00 0.00 175.10 175.84 1whm s ASP 48 N 0.46 6.33 0.85 3.32 2.15 0.27 -0.18 116.67 129.86 1whm s ASP 48 Ca 0.02 -1.69 -0.11 0.00 0.43 0.00 0.00 52.55 51.21 1whm s ASP 48 Cb -0.13 -2.31 0.10 0.00 -0.30 0.00 0.00 42.92 40.29 1whm s ASP 48 CO 0.01 -1.04 1.10 -0.04 -0.17 0.00 0.00 175.17 175.03 1whm s MET 49 N 2.37 1.64 0.08 4.34 -1.94 -1.15 -0.90 119.30 123.73 1whm s MET 49 Ca 0.16 1.13 0.04 0.00 -1.71 0.00 0.00 55.69 55.31 1whm s MET 49 Cb -0.19 -1.83 -0.24 0.00 2.01 0.00 0.00 34.83 34.58 1whm s MET 49 CO 0.02 -2.07 1.14 -0.44 -0.01 0.00 0.00 175.02 173.66 1whm h ASP 50 N -1.44 0.13 -2.78 3.03 5.19 -1.92 -3.45 116.42 115.19 1whm h ASP 50 Ca -0.46 -0.16 -0.51 0.00 -0.62 0.00 0.00 57.03 55.29 1whm h ASP 50 Cb 1.26 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1whm h ASP 50 CO 0.50 1.12 -0.29 0.20 -3.12 0.00 0.00 179.24 177.66 1whm s ASN 51 N -6.76 6.36 -1.16 6.45 0.01 -1.26 -4.99 114.94 113.58 1whm s ASN 51 Ca -0.02 0.40 -0.23 0.00 -0.71 0.00 0.00 52.86 52.31 1whm s ASN 51 Cb 0.09 -2.01 -0.07 0.00 0.41 0.00 0.00 41.25 39.66 1whm s ASN 51 CO 0.84 -0.13 1.92 -2.16 -1.51 0.00 0.00 177.10 176.06 1whm s PRO 52 N -3.72 2.58 0.00 -0.60 0.04 -1.26 -4.46 135.00 127.58 1whm s PRO 52 Ca 0.39 -1.11 0.19 0.00 0.04 0.00 0.00 61.00 60.51 1whm s PRO 52 Cb -0.10 -5.24 0.32 0.00 0.04 0.00 0.00 34.50 29.52 1whm s PRO 52 CO 0.31 -3.83 1.12 0.44 0.04 0.00 0.00 177.00 175.08 1whm n ILE 53 N 7.74 0.00 -1.55 0.56 -5.35 -0.86 -4.97 119.36 114.93 1whm n ILE 53 Ca 0.44 -0.74 -0.20 0.00 -0.27 0.00 0.00 62.75 61.99 1whm n ILE 53 Cb 0.47 0.86 0.14 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.37 -1.49 1.48 3.28 0.00 0.30 -4.83 105.19 104.30 1whm n GLY 54 Ca 0.03 -1.68 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.63 -0.19 -3.15 1.61 6.94 -0.48 -4.55 115.26 111.81 1whm n ASN 55 Ca 0.11 -1.02 0.04 0.00 -0.02 0.00 0.00 54.58 53.69 1whm n ASN 55 Cb 0.38 0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 37.88 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 0.01 -1.44 0.21 -2.53 -0.00 -1.22 -4.86 118.94 109.11 1whm s TRP 56 Ca 0.01 1.48 0.08 0.00 -0.00 0.00 0.00 56.10 57.68 1whm s TRP 56 Cb 0.05 0.49 0.12 0.00 -0.00 0.00 0.00 33.47 34.13 1whm s TRP 56 CO -0.01 -0.79 1.47 0.22 -0.00 0.00 0.00 176.95 177.84 1whm h ASP 57 N 7.99 0.03 0.00 5.86 1.82 -1.88 -2.68 116.42 127.57 1whm h ASP 57 Ca -0.20 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1whm h ASP 57 Cb 1.16 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1whm h ASP 57 CO 0.19 0.79 0.00 0.61 -1.61 0.00 0.00 179.24 179.23 1whm n GLY 58 N 0.69 0.97 3.20 -0.78 0.00 -1.26 -2.66 105.19 105.35 1whm n GLY 58 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.07 1.05 -0.29 1.61 0.52 -1.26 -1.52 118.95 119.13 1whm s ARG 59 Ca 0.00 -1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 53.68 1whm s ARG 59 Cb 0.00 0.04 0.13 0.00 0.52 0.00 0.00 34.95 35.64 1whm s ARG 59 CO 0.00 -0.23 0.26 0.12 0.02 0.00 0.00 175.30 175.47 1whm s PHE 60 N -3.91 -0.27 -1.70 -0.53 5.36 0.28 -4.85 117.98 112.36 1whm s PHE 60 Ca 0.27 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 1whm s PHE 60 Cb 0.07 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 1whm s PHE 60 CO 0.04 -0.90 0.00 -0.25 -1.46 0.00 0.00 175.22 172.65 1whm n ASP 61 N 5.23 -5.65 0.00 6.13 9.92 -1.26 -2.56 116.55 128.36 1whm n ASP 61 Ca -0.02 -0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1whm n ASP 61 Cb 0.45 -4.68 0.00 0.00 -0.64 0.00 0.00 41.12 36.25 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whm n GLY 62 N -1.00 3.25 3.76 0.44 0.00 -1.26 -5.08 105.19 105.30 1whm n GLY 62 Ca -0.23 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.08 2.78 -0.23 1.61 0.11 -1.06 -4.99 120.40 118.55 1whm s VAL 63 Ca 0.00 0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 59.48 1whm s VAL 63 Cb 0.00 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1whm s VAL 63 CO 0.00 -0.08 0.11 -1.58 -3.33 0.00 0.00 175.10 170.22 1whm s GLN 64 N -3.17 3.91 -0.17 1.54 2.00 -1.26 0.10 119.66 122.61 1whm s GLN 64 Ca 0.73 -0.36 -0.01 0.00 -2.00 0.00 0.00 55.36 53.73 1whm s GLN 64 Cb -0.30 -3.39 -0.10 0.00 0.80 0.00 0.00 33.01 30.03 1whm s GLN 64 CO 0.33 0.03 -0.16 1.28 -0.50 0.00 0.00 175.29 176.27 1whm n LEU 65 N 4.31 2.67 -4.14 3.68 4.77 -0.57 -4.94 117.00 122.78 1whm n LEU 65 Ca -0.16 -0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 1whm n LEU 65 Cb 0.52 -0.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 1whm n LEU 65 CO 0.34 0.70 -0.46 0.00 -1.33 0.00 0.00 177.39 176.64 1whm h SER 67 N 7.93 0.72 0.45 0.00 0.02 -1.86 -3.29 113.55 117.53 1whm h SER 67 Ca -0.33 -0.87 -0.03 0.00 -0.84 0.00 0.00 61.79 59.72 1whm h SER 67 Cb 1.10 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1whm h SER 67 CO 0.57 1.70 -0.14 -0.26 -1.14 0.00 0.00 176.83 177.56 1whm h PHE 68 N 0.13 0.00 -3.84 3.45 0.04 -1.94 -3.44 116.94 111.34 1whm h PHE 68 Ca -0.28 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.01 1whm h PHE 68 Cb 2.13 0.00 0.20 0.00 2.20 0.00 0.00 35.95 40.48 1whm h PHE 68 CO 0.11 0.14 0.14 0.00 -0.60 0.00 0.00 178.31 178.09 1whm s ALA 69 N -4.10 0.65 -0.28 2.45 0.00 -1.24 -5.04 121.76 114.19 1whm s ALA 69 Ca -0.02 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1whm s ALA 69 Cb 0.13 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.99 1whm s ALA 69 CO 0.59 -3.20 0.78 0.00 0.00 0.00 0.00 175.76 173.93 1whm n VAL 71 N 3.91 1.92 0.00 0.00 3.14 -1.17 -2.93 118.33 123.19 1whm n VAL 71 Ca -0.19 -1.48 0.00 0.00 -2.96 0.00 0.00 64.34 59.71 1whm n VAL 71 Cb 0.58 -2.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.12 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 6.13 0.00 0.00 1.45 0.28 -1.26 -4.74 120.64 122.50 1whm n GLU 72 Ca 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1whm n GLU 72 Cb 0.31 -0.07 0.00 0.00 1.43 0.00 0.00 31.44 33.12 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 -1.81 1.63 -4.63 -1.84 2.88 -1.18 0.11 113.62 108.78 1whm n SER 73 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1whm n SER 73 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1whm n SER 73 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1whm n THR 74 N -2.16 3.78 -3.48 2.46 -1.04 -1.15 -2.95 114.28 109.74 1whm n THR 74 Ca 0.00 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.05 61.43 1whm n THR 74 Cb 0.26 -1.19 -0.10 0.00 -1.82 0.00 0.00 70.33 67.47 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 -1.57 -0.54 -0.35 12.58 1.01 0.75 -1.38 121.20 131.71 1whm s ILE 75 Ca 0.77 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 61.24 1whm s ILE 75 Cb -0.39 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1whm s ILE 75 CO 0.46 -0.06 0.62 -0.22 0.00 0.00 0.00 174.94 175.74 1whm s LEU 76 N 2.50 4.26 0.00 2.97 2.96 -1.25 -0.48 118.68 129.64 1whm s LEU 76 Ca 0.07 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 1whm s LEU 76 Cb -0.14 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.78 1whm s LEU 76 CO -0.13 -0.57 0.47 0.18 -1.32 0.00 0.00 176.35 174.97 1whm n LEU 77 N 6.00 0.00 -4.74 -0.68 4.77 -0.02 -4.85 117.00 117.48 1whm n LEU 77 Ca -0.02 -3.03 -0.41 0.00 -0.03 0.00 0.00 56.01 52.53 1whm n LEU 77 Cb 0.49 2.47 -0.03 0.00 -2.33 0.00 0.00 43.42 44.02 1whm n LEU 77 CO 0.48 -0.65 0.99 -2.28 -1.33 0.00 0.00 177.39 174.59 1whm s HIS 78 N -2.94 3.22 0.27 -1.77 2.46 -1.26 0.81 115.29 116.08 1whm s HIS 78 Ca 0.32 1.25 0.01 0.00 0.47 0.00 0.00 55.06 57.11 1whm s HIS 78 Cb -0.00 -3.62 0.61 0.00 -0.13 0.00 0.00 32.58 29.43 1whm s HIS 78 CO 0.23 -1.88 1.73 0.97 -2.47 0.00 0.00 174.74 173.31 1whm h ILE 79 N 3.59 0.60 -0.31 0.89 2.10 -1.87 0.58 117.51 123.09 1whm h ILE 79 Ca -0.46 -0.17 0.09 0.00 1.08 0.00 0.00 64.86 65.41 1whm h ILE 79 Cb 1.22 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 1whm h ILE 79 CO 0.75 0.09 0.29 0.78 -1.08 0.00 0.00 178.15 178.98 1whm h ASN 80 N 0.49 0.00 1.07 2.19 2.35 -1.91 0.39 115.58 120.16 1whm h ASN 80 Ca 0.50 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.16 1whm h ASN 80 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1whm h ASN 80 CO -0.45 0.00 -0.43 -0.78 -1.65 0.00 0.00 177.43 174.12 1whm h ASP 81 N 0.00 0.00 -4.01 5.81 3.58 -0.18 -3.45 116.42 118.17 1whm h ASP 81 Ca 0.15 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.11 1whm h ASP 81 Cb 0.73 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.82 1whm h ASP 81 CO -0.00 0.43 0.42 -0.63 -2.88 0.00 0.00 179.24 176.58 1whm s ILE 82 N -3.36 3.55 -0.44 2.25 1.01 0.14 -1.23 121.20 123.12 1whm s ILE 82 Ca 0.01 1.11 0.02 0.00 0.00 0.00 0.00 60.65 61.79 1whm s ILE 82 Cb 0.10 -3.53 0.13 0.00 0.01 0.00 0.00 42.46 39.17 1whm s ILE 82 CO 0.71 -0.07 0.24 -0.63 0.00 0.00 0.00 174.94 175.18 1whm s ILE 83 N -1.72 1.46 0.98 2.92 -1.09 0.19 -4.91 121.20 119.03 1whm s ILE 83 Ca 0.63 -2.58 -0.16 0.00 -2.23 0.00 0.00 60.65 56.30 1whm s ILE 83 Cb -0.22 -2.03 0.24 0.00 -1.58 0.00 0.00 42.46 38.87 1whm s ILE 83 CO 0.27 -0.89 0.94 -0.81 -1.23 0.00 0.00 174.94 173.22 1whm n PRO 84 N 3.54 -2.47 -3.05 2.79 -0.04 -1.26 -0.52 135.00 133.99 1whm n PRO 84 Ca 0.08 -1.49 -0.15 0.00 -0.04 0.00 0.00 63.50 61.90 1whm n PRO 84 Cb 0.34 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1whm n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1whm n GLU 85 N -4.09 0.97 -4.18 0.54 1.02 -1.26 -4.82 120.64 108.82 1whm n GLU 85 Ca 0.13 -2.92 -0.13 0.00 -0.02 0.00 0.00 57.16 54.22 1whm n GLU 85 Cb 0.48 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 1whm n GLU 85 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1whm s SER 86 N -2.02 1.36 -0.10 1.62 0.01 -1.26 -5.06 113.70 108.25 1whm s SER 86 Ca 0.34 -0.90 0.06 0.00 1.31 0.00 0.00 55.95 56.77 1whm s SER 86 Cb 0.32 0.04 -0.10 0.00 0.21 0.00 0.00 66.02 66.48 1whm s SER 86 CO -0.08 -0.34 -0.01 -1.20 0.41 0.00 0.00 173.24 172.02 1whm n SER 87 N 0.28 2.79 0.00 2.44 7.64 -1.26 -5.13 113.62 120.38 1whm n SER 87 Ca -0.14 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1whm n SER 87 Cb 0.59 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 2.58 -2.18 3.69 0.23 0.00 -1.26 -4.95 105.19 103.29 1whm n GLY 88 Ca -0.17 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1whm n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whm s PRO 89 N -0.26 0.64 0.32 1.61 0.04 -1.26 -5.09 135.00 131.00 1whm s PRO 89 Ca 0.00 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.67 1whm s PRO 89 Cb 0.00 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1whm s PRO 89 CO 0.00 -2.61 0.13 0.43 0.04 0.00 0.00 177.00 174.99 1whm n SER 90 N -4.10 1.02 0.00 6.66 7.64 -1.26 -5.05 113.62 118.53 1whm n SER 90 Ca 0.06 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1whm n SER 90 Cb 0.57 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 1whm n SER 90 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whm n SER 91 N -1.66 0.00 0.00 6.43 3.41 -1.26 -5.34 113.62 115.21 1whm n SER 91 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1whm n SER 91 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49