#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 5.77 -0.24 1.61 0.15 -1.26 -5.13 113.70 114.60 1whm s SER 2 Ca 0.00 -0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.26 1whm s SER 2 Cb 0.00 -1.10 0.10 0.00 -1.71 0.00 0.00 66.02 63.30 1whm s SER 2 CO 0.00 -0.45 0.54 -0.94 1.20 0.00 0.00 173.24 173.59 1whm s SER 3 N -4.15 -0.71 0.00 5.45 1.04 -1.26 -5.07 113.70 109.00 1whm s SER 3 Ca 0.45 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1whm s SER 3 Cb -0.09 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.60 1whm s SER 3 CO 0.30 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1whm n GLY 4 N 5.01 0.18 2.05 7.32 0.00 -1.26 -5.11 105.19 113.38 1whm n GLY 4 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1whm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whm n SER 5 N 0.00 -0.83 -4.07 1.61 7.64 -1.26 -5.15 113.62 111.55 1whm n SER 5 Ca 0.00 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 1whm n SER 5 Cb 0.00 1.12 0.19 0.00 -1.01 0.00 0.00 64.21 64.51 1whm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whm s SER 6 N -1.62 3.01 0.00 6.43 0.01 -1.26 -5.04 113.70 115.23 1whm s SER 6 Ca 0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1whm s SER 6 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1whm s SER 6 CO 0.00 -2.79 0.00 0.61 0.41 0.00 0.00 173.24 171.47 1whm n GLY 7 N -3.79 2.51 3.76 3.44 0.00 -1.26 -5.11 105.19 104.74 1whm n GLY 7 Ca 0.16 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.82 2.71 0.04 1.61 0.04 -1.26 -4.98 135.00 130.34 1whm s PRO 8 Ca 0.00 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1whm s PRO 8 Cb 0.00 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 1whm s PRO 8 CO 0.00 -1.35 1.34 -1.00 0.04 0.00 0.00 177.00 176.04 1whm h PRO 9 N 0.18 0.35 -6.45 0.56 0.13 -1.98 -3.43 132.00 121.35 1whm h PRO 9 Ca -0.48 -0.18 -0.53 0.00 -0.87 0.00 0.00 66.00 63.93 1whm h PRO 9 Cb 1.27 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1whm h PRO 9 CO 0.53 0.74 0.38 -1.17 -0.23 0.00 0.00 178.00 178.25 1whm s LEU 10 N -9.10 4.40 0.60 1.56 2.96 -1.26 -5.03 118.68 112.81 1whm s LEU 10 Ca -0.14 1.72 -0.16 0.00 -0.22 0.00 0.00 54.13 55.32 1whm s LEU 10 Cb 0.05 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1whm s LEU 10 CO 0.75 -0.23 1.10 -1.61 -1.32 0.00 0.00 176.35 175.04 1whm s GLU 11 N 0.75 3.13 0.31 1.98 0.41 -1.26 -4.91 118.70 119.10 1whm s GLU 11 Ca 0.51 1.39 -0.14 0.00 -0.41 0.00 0.00 54.97 56.32 1whm s GLU 11 Cb -0.22 -1.99 -0.08 0.00 -1.78 0.00 0.00 34.13 30.05 1whm s GLU 11 CO 0.29 -0.99 0.70 0.42 -0.49 0.00 0.00 175.26 175.19 1whm s ILE 12 N -2.22 4.74 -1.40 -1.63 -1.09 -1.26 -4.06 121.20 114.27 1whm s ILE 12 Ca 0.67 0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 59.85 1whm s ILE 12 Cb -0.20 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1whm s ILE 12 CO 0.36 -0.18 0.95 0.59 -1.23 0.00 0.00 174.94 175.42 1whm n ASN 13 N -0.38 -6.20 -4.61 3.58 4.13 -1.13 -4.97 115.26 105.66 1whm n ASN 13 Ca 0.03 -0.43 -0.24 0.00 1.68 0.00 0.00 54.58 55.62 1whm n ASN 13 Cb 0.53 -4.90 -0.08 0.00 -1.54 0.00 0.00 39.78 33.79 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 -3.09 4.26 -0.39 6.41 0.01 -1.26 -4.86 113.70 114.79 1whm s SER 14 Ca 0.47 -0.84 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 1whm s SER 14 Cb -0.21 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.40 1whm s SER 14 CO 0.58 -0.09 0.48 -0.13 0.41 0.00 0.00 173.24 174.49 1whm s ARG 15 N -3.67 3.37 0.02 12.44 1.81 -1.26 -0.56 118.95 131.09 1whm s ARG 15 Ca 0.33 -0.45 0.01 0.00 -1.72 0.00 0.00 55.73 53.90 1whm s ARG 15 Cb -0.04 -3.89 -0.01 0.00 -0.45 0.00 0.00 34.95 30.56 1whm s ARG 15 CO 0.19 -0.76 -0.05 0.14 -0.68 0.00 0.00 175.30 174.14 1whm s VAL 16 N 2.31 0.34 0.66 3.52 -7.23 0.26 -3.82 120.40 116.43 1whm s VAL 16 Ca 0.16 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.71 1whm s VAL 16 Cb -0.16 -0.38 0.12 0.00 0.56 0.00 0.00 36.38 36.52 1whm s VAL 16 CO 0.14 -0.23 0.91 -1.20 -0.31 0.00 0.00 175.10 174.41 1whm n SER 17 N 2.10 1.85 -3.83 4.85 7.64 0.55 0.11 113.62 126.89 1whm n SER 17 Ca -0.19 -2.41 -0.12 0.00 1.01 0.00 0.00 58.87 57.15 1whm n SER 17 Cb 0.56 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 1whm n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1whm s LEU 18 N 0.00 1.60 -0.91 -3.43 1.43 -0.03 0.89 118.68 118.24 1whm s LEU 18 Ca 0.65 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.68 1whm s LEU 18 Cb -0.05 0.29 0.04 0.00 0.03 0.00 0.00 46.19 46.51 1whm s LEU 18 CO 0.42 -0.04 1.38 -0.75 0.23 0.00 0.00 176.35 177.59 1whm s LYS 19 N 0.13 3.43 -0.35 1.70 2.20 0.83 -1.55 119.74 126.14 1whm s LYS 19 Ca -0.01 -0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 54.69 1whm s LYS 19 Cb -0.02 -4.90 0.01 0.00 -1.51 0.00 0.00 37.83 31.42 1whm s LYS 19 CO -0.00 -2.18 0.20 0.14 -0.36 0.00 0.00 175.35 173.15 1whm s VAL 20 N 5.22 4.75 0.00 4.02 -7.23 0.86 -4.96 120.40 123.07 1whm s VAL 20 Ca 0.41 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1whm s VAL 20 Cb -0.03 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.36 1whm s VAL 20 CO -0.00 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1whm n GLY 21 N 5.03 2.73 1.37 2.32 0.00 -1.26 -1.11 105.19 114.26 1whm n GLY 21 Ca -0.12 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 6.77 1.97 -3.89 1.61 1.02 -1.26 -5.00 120.64 121.86 1whm n GLU 22 Ca 0.00 -3.23 -0.08 0.00 -0.02 0.00 0.00 57.16 53.83 1whm n GLU 22 Cb 0.00 -1.89 -0.02 0.00 -0.02 0.00 0.00 31.44 29.51 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 -3.37 0.00 0.29 2.62 -1.32 -0.27 -5.18 115.64 108.41 1whm s THR 23 Ca 0.47 -1.11 0.11 0.00 -1.21 0.00 0.00 61.69 59.95 1whm s THR 23 Cb 0.42 -2.26 -0.05 0.00 -1.51 0.00 0.00 72.50 69.10 1whm s THR 23 CO 0.01 0.00 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.67 1whm s ILE 24 N -3.56 2.67 -0.11 5.08 -1.09 -1.26 -0.09 121.20 122.85 1whm s ILE 24 Ca 0.15 -2.22 -0.04 0.00 -2.23 0.00 0.00 60.65 56.31 1whm s ILE 24 Cb -0.04 -2.52 0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1whm s ILE 24 CO 0.09 -0.34 0.16 -1.61 -1.23 0.00 0.00 174.94 172.01 1whm s GLU 25 N -3.58 0.06 0.39 2.79 0.41 -0.59 -4.90 118.70 113.27 1whm s GLU 25 Ca 0.31 0.48 -0.26 0.00 -0.41 0.00 0.00 54.97 55.09 1whm s GLU 25 Cb -0.04 -0.49 -0.09 0.00 -1.78 0.00 0.00 34.13 31.73 1whm s GLU 25 CO 0.17 -0.38 1.25 -1.12 -0.49 0.00 0.00 175.26 174.70 1whm s SER 26 N 2.29 6.46 0.00 -0.19 0.01 -1.26 -0.85 113.70 120.16 1whm s SER 26 Ca 0.04 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1whm s SER 26 Cb -0.13 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1whm s SER 26 CO -0.07 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1whm n GLY 27 N 0.70 2.74 3.37 3.44 0.00 0.29 -4.13 105.19 111.60 1whm n GLY 27 Ca 0.03 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.65 2.05 0.25 2.61 2.01 -0.37 -0.58 115.64 118.96 1whm s THR 28 Ca 0.00 -1.91 -0.09 0.00 0.31 0.00 0.00 61.69 60.01 1whm s THR 28 Cb 0.00 -1.93 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 1whm s THR 28 CO 0.00 -0.18 0.56 -0.69 -0.69 0.00 0.00 174.62 173.62 1whm s VAL 29 N -1.72 4.95 0.00 3.82 1.01 0.27 0.90 120.40 129.63 1whm s VAL 29 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1whm s VAL 29 Cb -0.07 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1whm s VAL 29 CO 0.08 -0.14 0.00 2.30 0.00 0.00 0.00 175.10 177.33 1whm n ILE 30 N -0.36 0.00 -4.16 2.22 -5.35 -1.20 -2.86 119.36 107.65 1whm n ILE 30 Ca 0.00 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.20 1whm n ILE 30 Cb 0.53 -0.04 -0.17 0.00 -1.74 0.00 0.00 39.64 38.23 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 1.86 -0.21 4.28 2.19 -1.23 -4.92 117.98 118.63 1whm s PHE 31 Ca 0.00 -0.94 -0.04 0.00 0.33 0.00 0.00 56.93 56.28 1whm s PHE 31 Cb 0.00 -1.40 0.09 0.00 -1.31 0.00 0.00 43.02 40.40 1whm s PHE 31 CO 0.00 -0.54 0.17 0.00 1.83 0.00 0.00 175.22 176.68 1whm n ASP 33 N 5.29 -0.22 -4.92 0.00 2.03 -0.72 -4.61 116.55 113.41 1whm n ASP 33 Ca -0.06 -1.05 -0.27 0.00 0.52 0.00 0.00 54.79 53.94 1whm n ASP 33 Cb 0.48 0.34 0.04 0.00 -0.72 0.00 0.00 41.12 41.26 1whm n ASP 33 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1whm s VAL 34 N -2.13 3.45 0.14 5.18 -7.23 -1.26 -1.25 120.40 117.30 1whm s VAL 34 Ca 0.05 -0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.29 1whm s VAL 34 Cb -0.00 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1whm s VAL 34 CO -0.00 -0.41 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.52 1whm s LEU 35 N -5.04 2.97 -0.06 1.32 1.43 -1.26 -4.88 118.68 113.16 1whm s LEU 35 Ca 0.55 -0.50 -0.37 0.00 -1.03 0.00 0.00 54.13 52.78 1whm s LEU 35 Cb -0.11 -1.72 -0.15 0.00 0.03 0.00 0.00 46.19 44.25 1whm s LEU 35 CO 0.45 0.14 1.65 -2.65 0.23 0.00 0.00 176.35 176.17 1whm n PRO 36 N 0.38 1.60 -2.57 1.29 -0.02 -1.26 -0.90 135.00 133.52 1whm n PRO 36 Ca -0.12 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.77 1whm n PRO 36 Cb 0.54 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.68 -0.30 1.51 -1.23 0.00 -1.26 -4.86 105.19 102.74 1whm n GLY 37 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.95 0.32 0.15 1.61 5.02 -0.08 -4.92 118.16 117.31 1whm n LYS 38 Ca -0.15 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.64 1whm n LYS 38 Cb 0.63 0.19 0.26 0.00 -0.02 0.00 0.00 35.03 36.09 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 0.62 0.07 0.00 1.97 5.08 -1.89 -2.84 114.58 117.60 1whm h GLU 39 Ca -0.42 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 1whm h GLU 39 Cb 1.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1whm h GLU 39 CO -0.13 0.51 -0.60 0.77 -1.00 0.00 0.00 179.01 178.56 1whm h SER 40 N 0.06 0.00 0.37 1.42 0.02 -1.93 -3.33 113.55 110.16 1whm h SER 40 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1whm h SER 40 Cb 0.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1whm h SER 40 CO 0.06 0.60 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.89 1whm h LEU 41 N 0.00 -1.07 0.00 5.07 3.38 -1.88 -3.49 115.31 117.33 1whm h LEU 41 Ca -0.01 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1whm h LEU 41 Cb 1.42 0.36 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1whm h LEU 41 CO 0.08 -0.54 0.00 0.61 0.09 0.00 0.00 178.44 178.68 1whm n GLY 42 N -1.49 -0.41 2.94 0.83 0.00 -1.24 -5.09 105.19 100.73 1whm n GLY 42 Ca -0.10 0.35 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.04 0.70 1.61 2.02 -1.26 -4.68 117.35 114.70 1whm s TYR 43 Ca 0.00 0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 1whm s TYR 43 Cb 0.00 -0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 1whm s TYR 43 CO 0.00 -1.01 1.13 -0.06 -1.57 0.00 0.00 175.55 174.04 1whm s PHE 44 N 2.32 2.45 -0.12 2.71 0.40 -0.38 -3.21 117.98 122.15 1whm s PHE 44 Ca 0.11 1.57 -0.09 0.00 -0.60 0.00 0.00 56.93 57.93 1whm s PHE 44 Cb -0.12 -3.22 0.04 0.00 0.51 0.00 0.00 43.02 40.23 1whm s PHE 44 CO -0.23 -1.94 0.30 0.08 0.70 0.00 0.00 175.22 174.13 1whm s VAL 45 N -2.36 -0.02 -0.38 -0.44 1.01 0.39 -1.76 120.40 116.84 1whm s VAL 45 Ca 0.68 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1whm s VAL 45 Cb -0.22 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1whm s VAL 45 CO 0.45 0.03 0.36 -0.83 0.00 0.00 0.00 175.10 175.11 1whm s GLY 46 N 0.76 1.93 -0.20 4.51 0.00 0.11 -0.41 107.32 114.01 1whm s GLY 46 Ca -0.05 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.11 1whm s GLY 46 CO -0.05 1.01 0.25 0.14 0.00 0.00 0.00 173.10 174.45 1whm s VAL 47 N 1.95 5.31 -0.73 1.40 1.01 -0.22 -3.28 120.40 125.84 1whm s VAL 47 Ca 0.10 0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.30 1whm s VAL 47 Cb -0.17 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 32.73 1whm s VAL 47 CO 0.12 0.34 0.92 -0.62 0.00 0.00 0.00 175.10 175.86 1whm s ASP 48 N 0.82 6.36 0.96 3.32 2.15 0.26 -0.34 116.67 130.20 1whm s ASP 48 Ca 0.13 -1.57 -0.11 0.00 0.43 0.00 0.00 52.55 51.42 1whm s ASP 48 Cb -0.13 -2.36 0.17 0.00 -0.30 0.00 0.00 42.92 40.29 1whm s ASP 48 CO 0.04 -1.16 1.09 -0.04 -0.17 0.00 0.00 175.17 174.93 1whm s MET 49 N 2.94 0.68 0.09 4.34 -1.94 -1.10 -1.24 119.30 123.07 1whm s MET 49 Ca 0.22 1.11 0.05 0.00 -1.71 0.00 0.00 55.69 55.35 1whm s MET 49 Cb -0.15 -1.72 -0.23 0.00 2.01 0.00 0.00 34.83 34.74 1whm s MET 49 CO 0.02 -2.72 1.18 -0.44 -0.01 0.00 0.00 175.02 173.04 1whm h ASP 50 N -1.91 0.09 -2.36 3.03 5.19 -1.93 -3.46 116.42 115.07 1whm h ASP 50 Ca -0.50 -0.11 -0.53 0.00 -0.62 0.00 0.00 57.03 55.27 1whm h ASP 50 Cb 1.29 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.71 1whm h ASP 50 CO 0.49 1.08 -0.55 0.20 -3.12 0.00 0.00 179.24 177.34 1whm s ASN 51 N -6.74 5.43 -1.19 6.45 0.01 -1.26 -5.02 114.94 112.62 1whm s ASN 51 Ca -0.01 -0.25 -0.22 0.00 -0.71 0.00 0.00 52.86 51.67 1whm s ASN 51 Cb 0.09 -1.37 -0.08 0.00 0.41 0.00 0.00 41.25 40.31 1whm s ASN 51 CO 0.83 -0.00 1.92 -2.16 -1.51 0.00 0.00 177.10 176.18 1whm s PRO 52 N -3.59 2.60 -0.02 -0.60 0.04 -1.26 -4.48 135.00 127.68 1whm s PRO 52 Ca 0.32 -1.23 0.20 0.00 0.04 0.00 0.00 61.00 60.34 1whm s PRO 52 Cb -0.08 -5.26 0.36 0.00 0.04 0.00 0.00 34.50 29.55 1whm s PRO 52 CO 0.24 -3.87 1.15 0.44 0.04 0.00 0.00 177.00 175.00 1whm n ILE 53 N 7.71 0.25 -1.56 0.56 -5.35 -0.04 -4.95 119.36 115.98 1whm n ILE 53 Ca 0.45 -1.08 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1whm n ILE 53 Cb 0.46 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 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 0.22 0.42 1.40 3.28 0.00 0.28 -4.88 105.19 105.91 1whm n GLY 54 Ca 0.06 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.77 -0.18 -3.68 1.61 6.94 -1.20 -4.53 115.26 112.45 1whm n ASN 55 Ca 0.00 -0.95 -0.13 0.00 -0.02 0.00 0.00 54.58 53.48 1whm n ASN 55 Cb 0.00 0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.41 -0.38 -2.53 -0.00 -1.16 -4.94 118.94 109.54 1whm s TRP 56 Ca 0.01 0.95 0.06 0.00 -0.00 0.00 0.00 56.10 57.12 1whm s TRP 56 Cb 0.05 -0.01 0.63 0.00 -0.00 0.00 0.00 33.47 34.14 1whm s TRP 56 CO -0.01 -0.33 1.76 -3.47 -0.00 0.00 0.00 176.95 174.89 1whm n ASP 57 N 5.11 4.11 -3.22 5.86 2.03 -1.26 -0.94 116.55 128.24 1whm n ASP 57 Ca -0.10 -3.26 -0.07 0.00 0.52 0.00 0.00 54.79 51.88 1whm n ASP 57 Cb 0.50 -0.76 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 1whm n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whm n GLY 58 N -0.53 -1.23 3.51 0.27 0.00 -1.26 -4.59 105.19 101.36 1whm n GLY 58 Ca 0.45 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.87 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 -3.59 1.36 -0.40 1.61 0.52 -1.26 -2.68 118.95 114.50 1whm s ARG 59 Ca 0.08 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1whm s ARG 59 Cb -0.02 0.54 0.14 0.00 0.52 0.00 0.00 34.95 36.13 1whm s ARG 59 CO 0.78 -0.58 0.23 0.12 0.02 0.00 0.00 175.30 175.86 1whm s PHE 60 N -3.84 1.45 -1.77 -0.53 5.36 0.16 -4.83 117.98 113.98 1whm s PHE 60 Ca 0.07 -2.09 0.00 0.00 -0.96 0.00 0.00 56.93 53.95 1whm s PHE 60 Cb -0.01 -1.48 0.00 0.00 -0.34 0.00 0.00 43.02 41.19 1whm s PHE 60 CO -0.05 -0.80 0.00 -3.47 -1.46 0.00 0.00 175.22 169.43 1whm n ASP 61 N 3.75 -5.51 0.00 6.13 -0.08 -1.26 -3.30 116.55 116.28 1whm n ASP 61 Ca 0.10 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1whm n ASP 61 Cb 0.36 -4.60 0.00 0.00 2.34 0.00 0.00 41.12 39.22 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 -0.90 2.87 3.71 0.27 0.00 -1.26 -5.11 105.19 104.76 1whm n GLY 62 Ca -0.22 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 2.16 -0.16 1.61 0.11 -1.21 -4.95 120.40 117.96 1whm s VAL 63 Ca 0.00 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1whm s VAL 63 Cb 0.00 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 1whm s VAL 63 CO 0.00 -0.05 0.09 -1.58 -3.33 0.00 0.00 175.10 170.24 1whm s GLN 64 N -4.10 3.78 -0.07 1.54 2.00 -1.26 0.40 119.66 121.95 1whm s GLN 64 Ca 0.73 -0.26 0.01 0.00 -2.00 0.00 0.00 55.36 53.84 1whm s GLN 64 Cb -0.28 -3.21 -0.05 0.00 0.80 0.00 0.00 33.01 30.26 1whm s GLN 64 CO 0.49 0.46 -0.05 1.28 -0.50 0.00 0.00 175.29 176.97 1whm n LEU 65 N 2.97 2.54 -3.91 3.68 4.77 -1.09 -4.93 117.00 121.03 1whm n LEU 65 Ca -0.18 -0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 1whm n LEU 65 Cb 0.53 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1whm n LEU 65 CO 0.34 0.55 -0.35 0.00 -1.33 0.00 0.00 177.39 176.61 1whm h SER 67 N 7.83 0.66 0.40 0.00 4.64 -1.92 -2.63 113.55 122.53 1whm h SER 67 Ca -0.10 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1whm h SER 67 Cb 1.03 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1whm h SER 67 CO 0.49 0.87 -0.19 -0.26 -0.87 0.00 0.00 176.83 176.87 1whm h PHE 68 N 0.57 0.00 -3.13 4.77 0.04 -1.96 -3.44 116.94 113.78 1whm h PHE 68 Ca 0.08 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.45 1whm h PHE 68 Cb 0.69 0.00 0.21 0.00 2.20 0.00 0.00 35.95 39.06 1whm h PHE 68 CO 0.03 0.19 -0.06 0.00 -0.60 0.00 0.00 178.31 177.87 1whm s ALA 69 N -4.19 -0.60 -0.30 2.45 0.00 -0.99 -5.03 121.76 113.10 1whm s ALA 69 Ca -0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 1whm s ALA 69 Cb 0.13 -3.03 0.19 0.00 0.00 0.00 0.00 23.12 20.41 1whm s ALA 69 CO 0.63 -4.31 1.21 0.00 0.00 0.00 0.00 175.76 173.29 1whm n VAL 71 N 2.97 1.08 0.00 0.00 3.14 -0.12 -2.81 118.33 122.58 1whm n VAL 71 Ca -0.16 -1.10 0.00 0.00 -2.96 0.00 0.00 64.34 60.11 1whm n VAL 71 Cb 0.57 -2.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 1whm n VAL 71 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1whm n GLU 72 N 8.14 0.00 0.00 1.45 2.13 -1.26 -4.78 120.64 126.32 1whm n GLU 72 Ca 0.44 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1whm n GLU 72 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1whm n SER 73 N -0.81 0.27 -4.72 4.31 2.88 -1.12 0.10 113.62 114.53 1whm n SER 73 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1whm n SER 73 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.68 0.12 -3.79 2.46 -1.04 -1.17 -2.70 114.28 105.48 1whm n THR 74 Ca 0.00 -0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.70 1whm n THR 74 Cb 0.27 -1.96 -0.16 0.00 -1.82 0.00 0.00 70.33 66.66 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 1.02 0.76 -0.47 12.58 1.09 0.54 -2.98 121.20 133.74 1whm s ILE 75 Ca 0.74 -0.67 -0.27 0.00 -1.10 0.00 0.00 60.65 59.35 1whm s ILE 75 Cb -0.51 -1.18 0.03 0.00 -1.06 0.00 0.00 42.46 39.73 1whm s ILE 75 CO 0.34 -0.15 1.05 -0.22 -0.10 0.00 0.00 174.94 175.86 1whm s LEU 76 N 1.75 3.80 0.14 2.97 2.96 -1.25 -1.06 118.68 127.99 1whm s LEU 76 Ca -0.02 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1whm s LEU 76 Cb -0.17 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1whm s LEU 76 CO -0.07 -1.17 0.14 -0.76 -1.32 0.00 0.00 176.35 173.16 1whm s LEU 77 N 4.16 1.49 0.31 -0.68 1.43 0.45 -4.85 118.68 120.99 1whm s LEU 77 Ca 0.43 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.17 1whm s LEU 77 Cb -0.08 0.64 -0.10 0.00 0.03 0.00 0.00 46.19 46.67 1whm s LEU 77 CO 0.30 -0.78 1.43 -2.28 0.23 0.00 0.00 176.35 175.24 1whm s HIS 78 N -4.01 2.90 0.45 0.29 2.46 -1.26 -0.46 115.29 115.65 1whm s HIS 78 Ca 0.21 1.15 0.24 0.00 0.47 0.00 0.00 55.06 57.12 1whm s HIS 78 Cb 0.06 -3.85 1.25 0.00 -0.13 0.00 0.00 32.58 29.90 1whm s HIS 78 CO 0.00 -2.60 1.79 0.97 -2.47 0.00 0.00 174.74 172.44 1whm h ILE 79 N 3.24 0.50 -0.07 0.89 2.10 -1.89 0.91 117.51 123.19 1whm h ILE 79 Ca -0.48 -0.09 0.02 0.00 1.08 0.00 0.00 64.86 65.39 1whm h ILE 79 Cb 1.23 0.21 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1whm h ILE 79 CO 0.71 0.05 0.06 -0.55 -1.08 0.00 0.00 178.15 177.34 1whm h ASN 80 N 0.26 0.00 1.62 2.19 7.08 -1.89 0.80 115.58 125.64 1whm h ASN 80 Ca 0.57 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.72 1whm h ASN 80 Cb 1.70 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.93 1whm h ASN 80 CO -0.20 0.00 -0.38 0.44 -2.08 0.00 0.00 177.43 175.21 1whm h ASP 81 N 0.00 0.00 -4.12 6.14 3.32 0.51 -3.46 116.42 118.81 1whm h ASP 81 Ca 0.03 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.61 1whm h ASP 81 Cb 0.16 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.75 1whm h ASP 81 CO -0.00 0.34 0.38 -0.63 -1.72 0.00 0.00 179.24 177.62 1whm s ILE 82 N -3.04 3.85 -0.37 0.35 1.01 0.27 -0.12 121.20 123.15 1whm s ILE 82 Ca 0.05 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.75 1whm s ILE 82 Cb 0.07 -3.45 0.14 0.00 0.01 0.00 0.00 42.46 39.23 1whm s ILE 82 CO 0.73 -0.35 0.22 -0.63 0.00 0.00 0.00 174.94 174.90 1whm s ILE 83 N -2.18 0.47 1.06 2.92 -1.09 0.26 -4.84 121.20 117.80 1whm s ILE 83 Ca 0.65 -1.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.01 1whm s ILE 83 Cb -0.16 -1.34 0.23 0.00 -1.58 0.00 0.00 42.46 39.61 1whm s ILE 83 CO 0.26 -0.97 1.07 -2.84 -1.23 0.00 0.00 174.94 171.23 1whm s PRO 84 N 0.87 -0.11 -0.30 2.79 0.02 -1.26 -0.33 135.00 136.68 1whm s PRO 84 Ca 0.18 0.62 -0.02 0.00 0.02 0.00 0.00 61.00 61.80 1whm s PRO 84 Cb -0.23 -1.67 0.12 0.00 0.02 0.00 0.00 34.50 32.75 1whm s PRO 84 CO 0.00 -3.12 0.21 -1.21 -0.33 0.00 0.00 177.00 172.55 1whm s GLU 85 N -4.79 0.31 0.03 5.54 0.41 -1.25 -4.80 118.70 114.15 1whm s GLU 85 Ca 0.66 -0.55 -0.10 0.00 -0.41 0.00 0.00 54.97 54.58 1whm s GLU 85 Cb -0.21 -1.00 0.01 0.00 -1.78 0.00 0.00 34.13 31.14 1whm s GLU 85 CO 0.60 -1.06 0.20 -1.12 -0.49 0.00 0.00 175.26 173.38 1whm s SER 86 N 1.98 0.01 -0.18 -0.19 0.01 -1.26 -5.00 113.70 109.08 1whm s SER 86 Ca 0.11 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 57.02 1whm s SER 86 Cb -0.16 0.27 0.08 0.00 0.21 0.00 0.00 66.02 66.42 1whm s SER 86 CO -0.28 -0.50 0.38 -0.55 0.41 0.00 0.00 173.24 172.69 1whm s SER 87 N -1.84 -0.17 0.00 2.44 0.15 -1.26 -5.09 113.70 107.92 1whm s SER 87 Ca -0.08 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1whm s SER 87 Cb -0.03 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1whm s SER 87 CO -0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1whm n GLY 88 N 5.14 0.50 0.43 9.45 0.00 -1.26 -4.88 105.19 114.57 1whm n GLY 88 Ca -0.11 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.16 1whm n GLY 88 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1whm h PRO 89 N 0.00 0.03 -6.15 1.61 0.11 -2.10 -3.40 132.00 122.10 1whm h PRO 89 Ca 0.00 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.53 1whm h PRO 89 Cb 0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.05 1whm h PRO 89 CO 0.00 0.02 -0.04 -1.12 -0.21 0.00 0.00 178.00 176.65 1whm s SER 90 N -5.82 7.01 0.35 -2.05 0.01 -1.26 -5.08 113.70 106.85 1whm s SER 90 Ca -0.05 1.20 0.04 0.00 1.31 0.00 0.00 55.95 58.45 1whm s SER 90 Cb 0.21 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 64.13 1whm s SER 90 CO 0.76 0.21 0.35 -1.54 0.41 0.00 0.00 173.24 173.43 1whm n SER 91 N 2.14 1.76 0.00 2.44 3.41 -1.26 -4.93 113.62 117.18 1whm n SER 91 Ca -0.09 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1whm n SER 91 Cb 0.51 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49