#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 -0.09 -0.23 1.61 1.04 -1.26 -5.07 113.70 109.71 1whm s SER 2 Ca 0.00 -0.92 -0.08 0.00 0.48 0.00 0.00 55.95 55.42 1whm s SER 2 Cb 0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1whm s SER 2 CO 0.00 -1.16 0.16 -0.24 0.98 0.00 0.00 173.24 172.99 1whm n SER 3 N -0.40 -2.98 0.00 7.02 2.88 -1.26 -5.06 113.62 113.82 1whm n SER 3 Ca -0.02 1.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1whm n SER 3 Cb 0.62 -5.23 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 1whm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whm n GLY 4 N 1.33 0.09 3.31 0.46 0.00 -1.26 -4.92 105.19 104.20 1whm n GLY 4 Ca -0.28 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.28 1whm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whm s SER 5 N -1.00 6.47 0.36 1.61 0.01 -1.26 -5.00 113.70 114.90 1whm s SER 5 Ca 0.00 -2.36 -0.11 0.00 1.31 0.00 0.00 55.95 54.79 1whm s SER 5 Cb 0.00 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 64.09 1whm s SER 5 CO 0.00 -0.67 0.68 -1.20 0.41 0.00 0.00 173.24 172.46 1whm n SER 6 N 4.43 -1.97 0.00 2.44 7.64 -1.26 -5.13 113.62 119.77 1whm n SER 6 Ca 0.03 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1whm n SER 6 Cb 0.44 3.34 0.00 0.00 -1.01 0.00 0.00 64.21 66.98 1whm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 7 N -0.52 0.22 3.69 0.23 0.00 -1.26 -5.12 105.19 102.44 1whm n GLY 7 Ca -0.06 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.29 0.07 1.61 0.04 -1.26 -4.96 135.00 134.79 1whm s PRO 8 Ca 0.00 1.97 -0.37 0.00 0.04 0.00 0.00 61.00 62.64 1whm s PRO 8 Cb 0.00 -3.55 -0.19 0.00 0.04 0.00 0.00 34.50 30.80 1whm s PRO 8 CO 0.00 -0.56 1.57 -1.35 0.04 0.00 0.00 177.00 176.70 1whm h PRO 9 N 7.75 -1.14 -7.05 0.56 0.11 -1.98 -3.43 132.00 126.82 1whm h PRO 9 Ca -0.38 0.08 -0.56 0.00 0.11 0.00 0.00 66.00 65.24 1whm h PRO 9 Cb 1.18 0.26 0.16 0.00 0.11 0.00 0.00 31.00 32.71 1whm h PRO 9 CO 0.90 -0.76 0.41 -0.11 -0.21 0.00 0.00 178.00 178.23 1whm n LEU 10 N -5.62 5.45 -4.87 2.35 7.94 -1.26 -4.99 117.00 116.00 1whm n LEU 10 Ca -0.14 0.81 -0.33 0.00 -1.11 0.00 0.00 56.01 55.24 1whm n LEU 10 Cb 0.50 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.88 1whm n LEU 10 CO 0.34 -1.24 0.22 -1.61 -1.11 0.00 0.00 177.39 173.99 1whm s GLU 11 N -3.29 3.84 0.35 1.96 8.01 -1.26 -5.04 118.70 123.27 1whm s GLU 11 Ca 0.81 0.32 -0.12 0.00 0.01 0.00 0.00 54.97 55.99 1whm s GLU 11 Cb -0.38 -2.71 -0.07 0.00 -4.31 0.00 0.00 34.13 26.66 1whm s GLU 11 CO 0.42 0.35 0.72 0.42 0.01 0.00 0.00 175.26 177.19 1whm s ILE 12 N -1.74 4.78 -1.66 -1.63 -1.09 -1.26 -4.00 121.20 114.60 1whm s ILE 12 Ca 0.45 0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 59.54 1whm s ILE 12 Cb -0.12 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1whm s ILE 12 CO 0.21 -0.35 0.19 0.59 -1.23 0.00 0.00 174.94 174.35 1whm n ASN 13 N -0.84 -5.84 -4.52 3.58 4.13 -0.70 -4.96 115.26 106.11 1whm n ASN 13 Ca 0.02 -0.10 -0.25 0.00 1.68 0.00 0.00 54.58 55.93 1whm n ASN 13 Cb 0.54 -4.79 -0.10 0.00 -1.54 0.00 0.00 39.78 33.88 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 -2.29 3.74 -0.27 6.41 0.01 -1.26 -4.87 113.70 115.17 1whm s SER 14 Ca 0.10 -1.05 -0.18 0.00 1.31 0.00 0.00 55.95 56.12 1whm s SER 14 Cb -0.04 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1whm s SER 14 CO 0.12 -0.06 0.52 -0.13 0.41 0.00 0.00 173.24 174.10 1whm s ARG 15 N -3.57 4.01 0.01 12.44 1.81 -1.26 -0.05 118.95 132.34 1whm s ARG 15 Ca 0.31 0.28 0.02 0.00 -1.72 0.00 0.00 55.73 54.61 1whm s ARG 15 Cb -0.02 -3.67 -0.01 0.00 -0.45 0.00 0.00 34.95 30.79 1whm s ARG 15 CO 0.16 -0.40 -0.06 0.14 -0.68 0.00 0.00 175.30 174.47 1whm s VAL 16 N 2.35 0.42 0.63 3.52 -7.23 0.29 -4.18 120.40 116.19 1whm s VAL 16 Ca 0.21 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.96 1whm s VAL 16 Cb -0.16 -0.39 0.06 0.00 0.56 0.00 0.00 36.38 36.46 1whm s VAL 16 CO 0.10 -0.01 0.88 -0.55 -0.31 0.00 0.00 175.10 175.21 1whm s SER 17 N -0.46 4.94 -0.07 4.85 0.15 0.56 0.12 113.70 123.79 1whm s SER 17 Ca -0.01 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1whm s SER 17 Cb -0.04 -0.70 0.03 0.00 -1.71 0.00 0.00 66.02 63.60 1whm s SER 17 CO -0.00 -1.42 0.04 -0.76 1.20 0.00 0.00 173.24 172.30 1whm s LEU 18 N -4.96 0.35 -0.87 3.45 1.43 0.17 0.95 118.68 119.20 1whm s LEU 18 Ca 0.60 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 1whm s LEU 18 Cb -0.09 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 1whm s LEU 18 CO 0.41 -0.25 1.89 -0.75 0.23 0.00 0.00 176.35 177.89 1whm s LYS 19 N 2.09 2.65 -0.34 1.70 2.20 0.19 -0.85 119.74 127.39 1whm s LYS 19 Ca 0.04 -0.23 -0.13 0.00 -0.36 0.00 0.00 55.97 55.30 1whm s LYS 19 Cb -0.13 -4.98 -0.02 0.00 -1.51 0.00 0.00 37.83 31.19 1whm s LYS 19 CO -0.05 -3.19 0.24 0.14 -0.36 0.00 0.00 175.35 172.14 1whm s VAL 20 N 9.51 5.28 0.00 4.02 -7.23 0.70 -4.93 120.40 127.76 1whm s VAL 20 Ca 0.67 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1whm s VAL 20 Cb -0.07 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1whm s VAL 20 CO 0.02 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1whm n GLY 21 N 5.11 1.11 0.89 2.32 0.00 -1.26 -1.13 105.19 112.23 1whm n GLY 21 Ca -0.13 0.47 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 1.94 -3.97 1.61 1.02 -1.26 -5.03 120.64 114.95 1whm n GLU 22 Ca 0.00 -3.44 -0.09 0.00 -0.02 0.00 0.00 57.16 53.61 1whm n GLU 22 Cb 0.00 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 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 -3.47 0.00 0.08 2.62 -1.32 -0.29 -5.17 115.64 108.09 1whm s THR 23 Ca 0.41 -1.32 0.07 0.00 -1.21 0.00 0.00 61.69 59.64 1whm s THR 23 Cb 0.38 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.09 1whm s THR 23 CO -0.05 0.00 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.61 1whm s ILE 24 N -3.81 3.20 -0.21 5.08 -1.09 -1.26 -0.22 121.20 122.89 1whm s ILE 24 Ca 0.21 -1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 57.39 1whm s ILE 24 Cb -0.02 -2.45 0.06 0.00 -1.58 0.00 0.00 42.46 38.47 1whm s ILE 24 CO 0.10 0.19 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.38 1whm s GLU 25 N -1.93 1.19 0.25 2.79 0.41 -0.03 -4.87 118.70 116.50 1whm s GLU 25 Ca 0.19 -0.72 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 1whm s GLU 25 Cb -0.11 -2.35 -0.10 0.00 -1.78 0.00 0.00 34.13 29.79 1whm s GLU 25 CO 0.11 -0.61 1.34 -1.12 -0.49 0.00 0.00 175.26 174.49 1whm s SER 26 N 1.61 6.80 0.05 -0.19 0.01 -1.26 0.41 113.70 121.13 1whm s SER 26 Ca -0.03 2.55 -0.01 0.00 1.31 0.00 0.00 55.95 59.76 1whm s SER 26 Cb -0.18 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1whm s SER 26 CO -0.07 -0.57 0.08 0.61 0.41 0.00 0.00 173.24 173.70 1whm n GLY 27 N 1.94 2.63 3.63 3.44 0.00 0.32 -4.08 105.19 113.07 1whm n GLY 27 Ca 0.05 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.62 2.46 -0.06 2.61 2.01 0.24 0.10 115.64 120.39 1whm s THR 28 Ca 0.03 -1.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.05 1whm s THR 28 Cb -0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1whm s THR 28 CO 0.02 -0.15 0.03 -0.69 -0.69 0.00 0.00 174.62 173.14 1whm s VAL 29 N -2.56 4.49 0.00 3.82 1.01 0.93 0.50 120.40 128.58 1whm s VAL 29 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1whm s VAL 29 Cb 0.02 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1whm s VAL 29 CO 0.19 0.53 0.00 2.30 0.00 0.00 0.00 175.10 178.12 1whm n ILE 30 N 1.84 0.00 -4.90 2.22 -5.35 -1.19 -1.72 119.36 110.26 1whm n ILE 30 Ca -0.17 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.00 1whm n ILE 30 Cb 0.53 -0.09 -0.14 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 -1.34 2.37 -0.30 4.28 5.36 -1.19 -4.93 117.98 122.24 1whm s PHE 31 Ca 0.00 -0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 55.59 1whm s PHE 31 Cb 0.00 -1.42 0.19 0.00 -0.34 0.00 0.00 43.02 41.45 1whm s PHE 31 CO 0.00 0.14 0.61 0.00 -1.46 0.00 0.00 175.22 174.50 1whm s ASP 33 N 2.86 -0.02 0.68 0.00 1.01 0.27 -4.71 116.67 116.76 1whm s ASP 33 Ca 0.19 -0.14 -0.10 0.00 0.71 0.00 0.00 52.55 53.21 1whm s ASP 33 Cb -0.14 0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.93 1whm s ASP 33 CO -0.22 -0.24 1.05 0.68 0.21 0.00 0.00 175.17 176.65 1whm s VAL 34 N -2.17 3.38 0.17 -1.27 -7.23 -1.26 -0.74 120.40 111.29 1whm s VAL 34 Ca 0.22 0.30 0.08 0.00 -1.81 0.00 0.00 61.98 60.76 1whm s VAL 34 Cb 0.03 -3.42 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1whm s VAL 34 CO -0.03 -0.52 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.45 1whm s LEU 35 N -5.28 3.21 -0.07 1.32 1.43 -1.26 -4.84 118.68 113.19 1whm s LEU 35 Ca 0.57 -0.45 -0.36 0.00 -1.03 0.00 0.00 54.13 52.86 1whm s LEU 35 Cb -0.11 -1.87 -0.14 0.00 0.03 0.00 0.00 46.19 44.10 1whm s LEU 35 CO 0.50 0.10 1.69 -2.65 0.23 0.00 0.00 176.35 176.21 1whm n PRO 36 N -0.05 1.68 -2.82 1.29 -0.02 -1.26 -0.96 135.00 132.86 1whm n PRO 36 Ca -0.10 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 1whm n PRO 36 Cb 0.55 -2.36 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 3.82 -0.44 1.53 -1.23 0.00 -1.26 -4.86 105.19 102.75 1whm n GLY 37 Ca 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.59 0.25 0.10 1.61 5.02 -0.14 -4.90 118.16 116.52 1whm n LYS 38 Ca -0.14 -1.76 -0.05 0.00 -2.02 0.00 0.00 58.31 54.34 1whm n LYS 38 Cb 0.63 0.04 0.06 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 0.82 0.11 -0.09 1.97 5.08 -1.83 -3.13 114.58 117.51 1whm h GLU 39 Ca -0.35 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1whm h GLU 39 Cb 1.64 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1whm h GLU 39 CO -0.04 0.81 -0.39 1.03 -1.00 0.00 0.00 179.01 179.42 1whm h SER 40 N 0.07 0.20 -0.28 1.42 0.87 -1.94 -3.08 113.55 110.82 1whm h SER 40 Ca -0.02 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1whm h SER 40 Cb 1.32 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1whm h SER 40 CO 0.11 0.58 0.14 -0.07 -0.53 0.00 0.00 176.83 177.06 1whm h LEU 41 N 0.17 0.36 0.00 2.23 3.38 -1.93 -3.49 115.31 116.03 1whm h LEU 41 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1whm h LEU 41 Cb 0.77 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1whm h LEU 41 CO 0.06 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1whm n GLY 42 N -0.90 -0.26 2.72 0.83 0.00 -1.17 -5.07 105.19 101.35 1whm n GLY 42 Ca -0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.12 1.53 0.82 1.61 1.51 -1.26 -4.63 117.35 114.80 1whm s TYR 43 Ca 0.00 -1.58 -0.13 0.00 -1.01 0.00 0.00 57.07 54.35 1whm s TYR 43 Cb 0.00 -1.58 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 1whm s TYR 43 CO 0.00 -0.85 1.20 -0.06 -1.11 0.00 0.00 175.55 174.73 1whm s PHE 44 N 1.68 1.79 -0.12 2.71 0.40 0.08 -3.78 117.98 120.74 1whm s PHE 44 Ca 0.08 1.69 -0.07 0.00 -0.60 0.00 0.00 56.93 58.03 1whm s PHE 44 Cb -0.17 -3.46 0.04 0.00 0.51 0.00 0.00 43.02 39.94 1whm s PHE 44 CO -0.25 -2.84 0.29 0.08 0.70 0.00 0.00 175.22 173.21 1whm s VAL 45 N -2.21 -0.03 -0.43 -0.44 1.01 -0.08 -0.57 120.40 117.65 1whm s VAL 45 Ca 0.72 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 1whm s VAL 45 Cb -0.28 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1whm s VAL 45 CO 0.51 0.04 0.58 -0.83 0.00 0.00 0.00 175.10 175.41 1whm s GLY 46 N 1.01 1.77 -0.16 4.51 0.00 0.13 -1.32 107.32 113.26 1whm s GLY 46 Ca -0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 44.72 43.22 1whm s GLY 46 CO -0.07 1.43 0.25 0.14 0.00 0.00 0.00 173.10 174.85 1whm s VAL 47 N 2.62 5.33 -0.51 1.40 1.01 0.12 -3.17 120.40 127.20 1whm s VAL 47 Ca 0.20 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 1whm s VAL 47 Cb -0.15 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.73 1whm s VAL 47 CO 0.17 0.43 0.54 -0.62 0.00 0.00 0.00 175.10 175.62 1whm s ASP 48 N 0.24 6.18 0.95 3.32 -1.08 0.18 0.58 116.67 127.05 1whm s ASP 48 Ca 0.15 -1.27 -0.12 0.00 -0.52 0.00 0.00 52.55 50.79 1whm s ASP 48 Cb -0.13 -2.24 0.16 0.00 -1.46 0.00 0.00 42.92 39.25 1whm s ASP 48 CO 0.03 -0.83 1.10 -0.04 0.52 0.00 0.00 175.17 175.95 1whm s MET 49 N 2.14 0.79 0.01 4.34 -1.94 -0.65 0.80 119.30 124.80 1whm s MET 49 Ca 0.09 0.55 -0.01 0.00 -1.71 0.00 0.00 55.69 54.61 1whm s MET 49 Cb -0.23 -1.78 -0.27 0.00 2.01 0.00 0.00 34.83 34.56 1whm s MET 49 CO 0.08 -2.49 0.87 0.22 -0.01 0.00 0.00 175.02 173.69 1whm h ASP 50 N -1.72 0.33 -2.17 3.03 1.82 -1.90 -3.45 116.42 112.36 1whm h ASP 50 Ca -0.52 -0.46 -0.46 0.00 -0.39 0.00 0.00 57.03 55.19 1whm h ASP 50 Cb 1.32 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1whm h ASP 50 CO 0.58 1.39 -0.43 0.20 -1.61 0.00 0.00 179.24 179.36 1whm s ASN 51 N -6.90 6.23 -0.84 2.28 -0.87 -1.26 -4.99 114.94 108.60 1whm s ASN 51 Ca -0.08 0.02 -0.11 0.00 -1.57 0.00 0.00 52.86 51.12 1whm s ASN 51 Cb 0.07 -1.78 -0.09 0.00 -0.02 0.00 0.00 41.25 39.43 1whm s ASN 51 CO 0.85 -0.09 2.01 -0.81 -2.57 0.00 0.00 177.10 176.48 1whm n PRO 52 N -1.40 1.81 -0.57 -0.60 -0.04 -1.26 -4.36 135.00 128.58 1whm n PRO 52 Ca -0.08 -1.57 0.06 0.00 -0.04 0.00 0.00 63.50 61.87 1whm n PRO 52 Cb 0.57 -2.60 0.20 0.00 -0.04 0.00 0.00 33.50 31.63 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 4.87 2.18 -2.51 0.52 -6.64 -0.25 -4.91 119.36 112.62 1whm n ILE 53 Ca 0.45 -3.17 -0.25 0.00 -1.77 0.00 0.00 62.75 58.01 1whm n ILE 53 Cb 0.22 -0.23 0.13 0.00 -1.44 0.00 0.00 39.64 38.32 1whm n ILE 53 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1whm s GLY 54 N -3.21 1.76 -0.07 3.28 0.00 0.29 -4.89 107.32 104.48 1whm s GLY 54 Ca 0.38 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.34 1whm s GLY 54 CO -0.06 -1.12 0.87 1.16 0.00 0.00 0.00 173.10 173.94 1whm n ASN 55 N -3.05 -0.81 -3.54 1.64 6.94 -1.19 -4.31 115.26 110.94 1whm n ASN 55 Ca 0.17 -1.56 -0.19 0.00 -0.02 0.00 0.00 54.58 52.98 1whm n ASN 55 Cb 0.61 0.29 -0.14 0.00 -2.36 0.00 0.00 39.78 38.18 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 0.03 -0.22 -0.09 -2.53 -0.00 -1.19 -4.95 118.94 110.00 1whm s TRP 56 Ca 0.02 0.25 0.19 0.00 -0.00 0.00 0.00 56.10 56.56 1whm s TRP 56 Cb 0.09 -0.37 0.39 0.00 -0.00 0.00 0.00 33.47 33.58 1whm s TRP 56 CO -0.03 -0.54 1.60 0.22 -0.00 0.00 0.00 176.95 178.20 1whm h ASP 57 N 8.33 0.00 0.00 5.86 1.82 -1.85 -2.58 116.42 128.00 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 0.26 0.35 0.00 0.61 -1.61 0.00 0.00 179.24 178.85 1whm n GLY 58 N 0.83 1.97 3.35 -0.78 0.00 -1.26 -3.32 105.19 105.99 1whm n GLY 58 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.22 1.36 -0.34 1.61 0.52 -1.26 0.41 118.95 121.03 1whm s ARG 59 Ca 0.00 -1.67 -0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1whm s ARG 59 Cb 0.00 -0.79 0.11 0.00 0.52 0.00 0.00 34.95 34.79 1whm s ARG 59 CO 0.00 -0.02 0.15 0.12 0.02 0.00 0.00 175.30 175.56 1whm s PHE 60 N -3.27 1.47 -1.51 -0.53 5.36 0.28 -4.81 117.98 114.96 1whm s PHE 60 Ca 0.27 -1.77 0.00 0.00 -0.96 0.00 0.00 56.93 54.47 1whm s PHE 60 Cb 0.04 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 1whm s PHE 60 CO 0.08 -0.84 0.00 -3.47 -1.46 0.00 0.00 175.22 169.53 1whm n ASP 61 N 4.50 -4.99 0.00 6.13 2.03 -1.26 -3.23 116.55 119.72 1whm n ASP 61 Ca 0.02 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1whm n ASP 61 Cb 0.40 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 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 -0.99 3.11 3.77 0.27 0.00 -1.26 -5.09 105.19 105.00 1whm n GLY 62 Ca -0.19 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 2.27 -0.24 1.61 0.11 -1.20 -4.94 120.40 118.01 1whm s VAL 63 Ca 0.00 0.26 -0.17 0.00 -2.93 0.00 0.00 61.98 59.14 1whm s VAL 63 Cb 0.00 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 1whm s VAL 63 CO 0.00 0.05 0.46 -1.58 -3.33 0.00 0.00 175.10 170.70 1whm s GLN 64 N -2.13 4.09 -0.24 1.54 2.00 -1.26 1.00 119.66 124.65 1whm s GLN 64 Ca 0.54 0.24 -0.04 0.00 -2.00 0.00 0.00 55.36 54.10 1whm s GLN 64 Cb -0.43 -3.62 -0.14 0.00 0.80 0.00 0.00 33.01 29.62 1whm s GLN 64 CO 0.58 -0.24 -0.26 1.28 -0.50 0.00 0.00 175.29 176.14 1whm n LEU 65 N 5.17 2.47 -4.31 3.68 4.77 0.17 -4.95 117.00 124.00 1whm n LEU 65 Ca -0.06 0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1whm n LEU 65 Cb 0.50 -0.79 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1whm n LEU 65 CO 0.40 0.74 -0.47 0.00 -1.33 0.00 0.00 177.39 176.73 1whm n SER 67 N 3.74 1.20 0.13 0.00 7.64 -1.26 -4.07 113.62 121.00 1whm n SER 67 Ca -0.19 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 1whm n SER 67 Cb 0.52 -0.27 0.15 0.00 -1.01 0.00 0.00 64.21 63.61 1whm n SER 67 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1whm h PHE 68 N 0.02 0.00 -4.07 1.43 0.04 -1.94 -3.45 116.94 108.97 1whm h PHE 68 Ca -0.32 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.92 1whm h PHE 68 Cb 2.02 0.00 0.11 0.00 2.20 0.00 0.00 35.95 40.28 1whm h PHE 68 CO 0.02 0.64 0.50 0.00 -0.60 0.00 0.00 178.31 178.86 1whm s ALA 69 N -3.55 2.68 -0.09 2.45 0.00 -1.26 -4.99 121.76 117.01 1whm s ALA 69 Ca -0.01 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1whm s ALA 69 Cb 0.12 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1whm s ALA 69 CO 0.76 -1.08 0.30 0.00 0.00 0.00 0.00 175.76 175.74 1whm n VAL 71 N 2.51 1.84 0.00 0.00 3.14 -1.00 -2.82 118.33 122.01 1whm n VAL 71 Ca -0.15 -1.72 0.00 0.00 -2.96 0.00 0.00 64.34 59.51 1whm n VAL 71 Cb 0.57 -2.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 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 7.46 0.00 0.00 1.45 2.13 -1.26 -4.75 120.64 125.67 1whm n GLU 72 Ca 0.48 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1whm n GLU 72 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1whm n SER 73 N -1.22 0.36 -4.76 4.31 7.64 -1.15 0.11 113.62 118.90 1whm n SER 73 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1whm n SER 73 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1whm n SER 73 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1whm s THR 74 N -1.96 2.27 -0.18 0.44 2.01 -1.13 -1.63 115.64 115.46 1whm s THR 74 Ca 0.00 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 1whm s THR 74 Cb 0.00 -3.12 0.09 0.00 0.01 0.00 0.00 72.50 69.47 1whm s THR 74 CO 0.00 0.02 0.34 -0.63 -0.69 0.00 0.00 174.62 173.66 1whm s ILE 75 N -1.28 -0.54 -0.27 1.82 1.01 0.20 -3.14 121.20 118.99 1whm s ILE 75 Ca 0.64 0.16 -0.21 0.00 0.00 0.00 0.00 60.65 61.25 1whm s ILE 75 Cb -0.40 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1whm s ILE 75 CO 0.50 0.05 0.65 -0.22 0.00 0.00 0.00 174.94 175.91 1whm s LEU 76 N 2.51 4.09 0.00 2.97 2.96 -1.26 0.16 118.68 130.12 1whm s LEU 76 Ca 0.02 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1whm s LEU 76 Cb -0.13 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.70 1whm s LEU 76 CO -0.12 -0.43 0.47 0.18 -1.32 0.00 0.00 176.35 175.14 1whm n LEU 77 N 5.81 0.00 -4.72 -0.68 4.77 -0.44 -4.89 117.00 116.86 1whm n LEU 77 Ca -0.00 -3.02 -0.42 0.00 -0.03 0.00 0.00 56.01 52.54 1whm n LEU 77 Cb 0.49 2.48 -0.03 0.00 -2.33 0.00 0.00 43.42 44.03 1whm n LEU 77 CO 0.44 -0.66 0.86 -2.28 -1.33 0.00 0.00 177.39 174.43 1whm s HIS 78 N -2.93 3.48 0.40 -1.77 2.46 -1.26 -0.90 115.29 114.77 1whm s HIS 78 Ca 0.32 1.39 0.19 0.00 0.47 0.00 0.00 55.06 57.44 1whm s HIS 78 Cb -0.00 -3.38 1.13 0.00 -0.13 0.00 0.00 32.58 30.20 1whm s HIS 78 CO 0.23 -1.08 1.76 0.97 -2.47 0.00 0.00 174.74 174.15 1whm h ILE 79 N 4.25 0.49 -0.18 0.89 2.10 -1.90 0.90 117.51 124.07 1whm h ILE 79 Ca -0.43 -0.12 0.05 0.00 1.08 0.00 0.00 64.86 65.44 1whm h ILE 79 Cb 1.21 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 1whm h ILE 79 CO 0.78 0.07 0.14 0.78 -1.08 0.00 0.00 178.15 178.84 1whm h ASN 80 N 0.36 0.00 1.31 2.19 2.35 -1.91 0.11 115.58 119.99 1whm h ASN 80 Ca 0.61 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.25 1whm h ASN 80 Cb 1.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.96 1whm h ASN 80 CO -0.31 0.00 -0.55 0.44 -1.65 0.00 0.00 177.43 175.36 1whm h ASP 81 N 0.00 0.00 -4.13 5.81 3.32 0.53 -3.46 116.42 118.49 1whm h ASP 81 Ca 0.08 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.65 1whm h ASP 81 Cb 0.37 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.97 1whm h ASP 81 CO -0.00 0.55 0.39 -0.63 -1.72 0.00 0.00 179.24 177.83 1whm s ILE 82 N -3.03 3.59 -0.35 0.35 1.01 0.37 0.57 121.20 123.71 1whm s ILE 82 Ca 0.03 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1whm s ILE 82 Cb 0.08 -3.35 0.14 0.00 0.01 0.00 0.00 42.46 39.34 1whm s ILE 82 CO 0.75 -0.31 0.22 -0.63 0.00 0.00 0.00 174.94 174.96 1whm s ILE 83 N -2.11 0.13 0.00 2.92 1.01 0.27 -4.82 121.20 118.59 1whm s ILE 83 Ca 0.67 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1whm s ILE 83 Cb -0.18 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1whm s ILE 83 CO 0.29 -0.99 0.00 -2.65 0.00 0.00 0.00 174.94 171.59 1whm n PRO 84 N 4.03 0.70 -1.24 2.79 -0.02 -1.26 -0.32 135.00 139.67 1whm n PRO 84 Ca 0.12 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.35 1whm n PRO 84 Cb 0.37 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.02 1whm n PRO 84 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1whm n GLU 85 N -0.21 2.31 -0.92 -0.52 1.02 -1.26 -4.68 120.64 116.38 1whm n GLU 85 Ca 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 1whm n GLU 85 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 1whm n GLU 85 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1whm n SER 86 N -1.12 0.00 0.00 1.62 2.88 -1.26 -5.04 113.62 110.71 1whm n SER 86 Ca 0.60 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1whm n SER 86 Cb 1.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 1whm n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whm n SER 87 N -2.97 0.00 0.00 -3.46 2.88 -1.26 -5.08 113.62 103.72 1whm n SER 87 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whm n SER 87 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1whm n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whm n GLY 88 N -0.82 -0.24 1.13 0.46 0.00 -1.26 -5.07 105.19 99.39 1whm n GLY 88 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1whm n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whm n PRO 89 N -0.25 -1.77 -1.45 1.61 -0.04 -1.26 -4.93 135.00 126.92 1whm n PRO 89 Ca 0.00 -0.56 0.07 0.00 -0.04 0.00 0.00 63.50 62.97 1whm n PRO 89 Cb 0.00 -0.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 1whm n PRO 89 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whm n SER 90 N -3.62 -7.85 -3.79 3.54 7.64 -1.26 -4.94 113.62 103.34 1whm n SER 90 Ca 0.05 1.63 -0.30 0.00 1.01 0.00 0.00 58.87 61.26 1whm n SER 90 Cb 0.19 -4.81 0.23 0.00 -1.01 0.00 0.00 64.21 58.81 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 -3.31 -0.80 0.00 6.43 3.41 -1.26 -4.96 113.62 113.13 1whm n SER 91 Ca -0.04 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1whm n SER 91 Cb 0.55 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49