#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 0.00 0.00 1.61 2.88 -1.26 -4.83 113.62 112.02 1whm n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whm n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1whm n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whm n SER 3 N 1.78 0.00 0.00 -3.46 2.88 -1.26 -4.04 113.62 109.52 1whm n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whm n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.89 3.11 0.46 0.00 -1.26 -5.08 105.19 103.32 1whm n GLY 4 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.04 -0.10 1.61 0.01 -1.26 -5.15 113.70 106.77 1whm s SER 5 Ca 0.00 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1whm s SER 5 Cb 0.00 1.57 -0.01 0.00 0.21 0.00 0.00 66.02 67.79 1whm s SER 5 CO 0.00 -0.17 -0.22 -0.44 0.41 0.00 0.00 173.24 172.82 1whm s SER 6 N 2.64 3.31 0.00 2.44 0.01 -1.26 -5.05 113.70 115.78 1whm s SER 6 Ca 0.18 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1whm s SER 6 Cb -0.05 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1whm s SER 6 CO -0.21 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1whm n GLY 7 N 3.38 -4.27 3.61 3.44 0.00 -1.26 -4.91 105.19 105.18 1whm n GLY 7 Ca -0.18 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.97 3.55 0.09 1.61 0.04 -1.26 -4.92 135.00 133.14 1whm s PRO 8 Ca 0.00 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1whm s PRO 8 Cb 0.00 -4.10 -0.14 0.00 0.04 0.00 0.00 34.50 30.30 1whm s PRO 8 CO 0.00 -1.59 1.63 -1.35 0.04 0.00 0.00 177.00 175.74 1whm h PRO 9 N 11.59 -0.65 -7.06 0.56 0.11 -1.91 -3.43 132.00 131.22 1whm h PRO 9 Ca -0.32 0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.27 1whm h PRO 9 Cb 1.15 0.15 0.15 0.00 0.11 0.00 0.00 31.00 32.56 1whm h PRO 9 CO 1.03 -0.43 0.50 -0.11 -0.21 0.00 0.00 178.00 178.78 1whm n LEU 10 N -5.42 5.66 -4.70 2.35 7.94 -1.26 -4.96 117.00 116.62 1whm n LEU 10 Ca -0.10 0.87 -0.41 0.00 -1.11 0.00 0.00 56.01 55.26 1whm n LEU 10 Cb 0.32 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.68 1whm n LEU 10 CO 0.32 -0.96 0.52 -1.61 -1.11 0.00 0.00 177.39 174.54 1whm s GLU 11 N -3.17 4.41 0.54 1.96 2.02 -1.26 -5.02 118.70 118.18 1whm s GLU 11 Ca 0.79 1.02 -0.18 0.00 0.02 0.00 0.00 54.97 56.62 1whm s GLU 11 Cb -0.40 -3.50 -0.06 0.00 0.10 0.00 0.00 34.13 30.28 1whm s GLU 11 CO 0.43 -0.10 1.05 0.42 0.02 0.00 0.00 175.26 177.08 1whm s ILE 12 N 1.33 3.78 -1.72 -1.63 -1.09 -1.26 -3.47 121.20 117.14 1whm s ILE 12 Ca 0.40 0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 59.78 1whm s ILE 12 Cb -0.18 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1whm s ILE 12 CO 0.18 -0.37 0.16 0.59 -1.23 0.00 0.00 174.94 174.27 1whm n ASN 13 N -1.51 -5.97 -4.50 3.58 4.13 -1.08 -4.96 115.26 104.95 1whm n ASN 13 Ca 0.09 -0.09 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 1whm n ASN 13 Cb 0.53 -4.92 -0.10 0.00 -1.54 0.00 0.00 39.78 33.74 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 -2.23 3.69 -0.37 6.41 0.01 -1.23 -4.87 113.70 115.11 1whm s SER 14 Ca 0.08 -1.03 -0.19 0.00 1.31 0.00 0.00 55.95 56.12 1whm s SER 14 Cb -0.04 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1whm s SER 14 CO 0.10 -0.01 0.55 -0.13 0.41 0.00 0.00 173.24 174.17 1whm s ARG 15 N -3.54 3.54 0.04 12.44 1.81 -1.26 0.41 118.95 132.39 1whm s ARG 15 Ca 0.31 -0.19 0.04 0.00 -1.72 0.00 0.00 55.73 54.17 1whm s ARG 15 Cb -0.04 -3.84 -0.02 0.00 -0.45 0.00 0.00 34.95 30.60 1whm s ARG 15 CO 0.16 -0.73 -0.12 0.14 -0.68 0.00 0.00 175.30 174.06 1whm s VAL 16 N 2.51 0.94 0.66 3.52 -7.23 0.28 -3.66 120.40 117.41 1whm s VAL 16 Ca 0.20 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1whm s VAL 16 Cb -0.15 -0.87 0.09 0.00 0.56 0.00 0.00 36.38 36.01 1whm s VAL 16 CO 0.15 -0.05 0.91 -0.55 -0.31 0.00 0.00 175.10 175.24 1whm s SER 17 N -1.12 4.69 -0.04 4.85 0.15 0.29 0.11 113.70 122.62 1whm s SER 17 Ca -0.00 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 1whm s SER 17 Cb -0.08 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1whm s SER 17 CO 0.01 -1.60 0.10 -0.76 1.20 0.00 0.00 173.24 172.18 1whm s LEU 18 N -4.99 1.21 -0.72 3.45 1.43 0.43 0.65 118.68 120.14 1whm s LEU 18 Ca 0.63 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.67 1whm s LEU 18 Cb -0.07 0.24 0.04 0.00 0.03 0.00 0.00 46.19 46.44 1whm s LEU 18 CO 0.42 -0.09 1.18 -0.75 0.23 0.00 0.00 176.35 177.34 1whm s LYS 19 N 0.66 3.18 -0.26 1.70 2.20 -0.14 -0.86 119.74 126.22 1whm s LYS 19 Ca -0.05 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.02 1whm s LYS 19 Cb -0.07 -4.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.00 1whm s LYS 19 CO -0.03 -2.04 0.06 0.14 -0.36 0.00 0.00 175.35 173.12 1whm s VAL 20 N 5.14 4.12 0.00 4.02 -7.23 0.16 -4.94 120.40 121.67 1whm s VAL 20 Ca 0.31 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1whm s VAL 20 Cb -0.11 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1whm s VAL 20 CO 0.13 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 1whm n GLY 21 N 4.90 0.58 1.07 2.32 0.00 -1.26 -1.06 105.19 111.74 1whm n GLY 21 Ca -0.16 0.59 0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 1.40 -3.85 1.61 1.02 -1.26 -5.06 120.64 114.50 1whm n GLU 22 Ca 0.00 -3.07 -0.08 0.00 -0.02 0.00 0.00 57.16 53.98 1whm n GLU 22 Cb 0.00 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.58 0.01 0.23 2.62 2.01 -0.22 -5.18 115.64 112.52 1whm s THR 23 Ca 0.38 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.45 1whm s THR 23 Cb 0.38 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1whm s THR 23 CO -0.08 -0.02 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.16 1whm s ILE 24 N -3.93 3.40 -0.09 1.82 -1.09 -1.26 0.36 121.20 120.41 1whm s ILE 24 Ca 0.13 -1.77 -0.03 0.00 -2.23 0.00 0.00 60.65 56.75 1whm s ILE 24 Cb -0.03 -2.76 0.05 0.00 -1.58 0.00 0.00 42.46 38.13 1whm s ILE 24 CO 0.05 -0.26 0.13 -1.61 -1.23 0.00 0.00 174.94 172.01 1whm s GLU 25 N -3.32 0.01 0.50 2.79 0.41 -0.04 -4.90 118.70 114.16 1whm s GLU 25 Ca 0.29 0.40 -0.22 0.00 -0.41 0.00 0.00 54.97 55.02 1whm s GLU 25 Cb -0.07 -0.61 -0.06 0.00 -1.78 0.00 0.00 34.13 31.60 1whm s GLU 25 CO 0.18 -0.39 1.28 -1.12 -0.49 0.00 0.00 175.26 174.73 1whm s SER 26 N 2.24 5.67 0.10 -0.19 0.01 -1.26 -0.43 113.70 119.84 1whm s SER 26 Ca 0.04 2.58 -0.04 0.00 1.31 0.00 0.00 55.95 59.84 1whm s SER 26 Cb -0.13 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.49 1whm s SER 26 CO -0.06 -1.28 0.19 0.61 0.41 0.00 0.00 173.24 173.12 1whm n GLY 27 N 0.61 1.80 3.46 3.44 0.00 0.29 -3.84 105.19 110.95 1whm n GLY 27 Ca 0.09 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.76 2.49 0.07 2.61 2.01 0.69 0.10 115.64 120.84 1whm s THR 28 Ca 0.04 -2.19 -0.08 0.00 0.31 0.00 0.00 61.69 59.77 1whm s THR 28 Cb -0.01 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1whm s THR 28 CO 0.03 -0.26 0.36 -0.69 -0.69 0.00 0.00 174.62 173.37 1whm s VAL 29 N -2.10 5.17 0.00 3.82 1.01 0.17 0.11 120.40 128.57 1whm s VAL 29 Ca 0.26 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1whm s VAL 29 Cb -0.06 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1whm s VAL 29 CO 0.13 0.26 0.00 2.30 0.00 0.00 0.00 175.10 177.79 1whm n ILE 30 N 0.81 0.00 -4.70 2.22 -5.35 -1.22 -2.64 119.36 108.47 1whm n ILE 30 Ca -0.08 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.17 1whm n ILE 30 Cb 0.52 -0.10 -0.16 0.00 -1.74 0.00 0.00 39.64 38.17 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 -1.37 1.41 -0.27 4.28 2.19 -1.25 -4.92 117.98 118.06 1whm s PHE 31 Ca 0.00 -0.33 0.00 0.00 0.33 0.00 0.00 56.93 56.93 1whm s PHE 31 Cb 0.00 -0.94 0.15 0.00 -1.31 0.00 0.00 43.02 40.92 1whm s PHE 31 CO 0.00 -0.08 0.38 0.00 1.83 0.00 0.00 175.22 177.35 1whm s ASP 33 N 2.52 -0.02 1.13 0.00 1.01 -0.87 -4.54 116.67 115.90 1whm s ASP 33 Ca 0.11 -0.16 -0.19 0.00 0.71 0.00 0.00 52.55 53.02 1whm s ASP 33 Cb -0.14 0.13 0.27 0.00 1.01 0.00 0.00 42.92 44.20 1whm s ASP 33 CO -0.26 -0.26 1.21 0.68 0.21 0.00 0.00 175.17 176.75 1whm s VAL 34 N -2.16 1.72 0.10 -1.27 -7.23 -1.26 -2.39 120.40 107.92 1whm s VAL 34 Ca 0.23 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.47 1whm s VAL 34 Cb 0.02 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1whm s VAL 34 CO -0.02 0.00 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.82 1whm s LEU 35 N -6.57 2.31 0.00 1.32 1.43 -1.26 -4.83 118.68 111.08 1whm s LEU 35 Ca 0.74 -0.69 -0.36 0.00 -1.03 0.00 0.00 54.13 52.79 1whm s LEU 35 Cb -0.06 -0.79 -0.14 0.00 0.03 0.00 0.00 46.19 45.23 1whm s LEU 35 CO 0.55 0.01 1.64 -2.65 0.23 0.00 0.00 176.35 176.13 1whm n PRO 36 N 1.03 1.78 -2.10 1.29 -0.02 -1.26 -0.89 135.00 134.83 1whm n PRO 36 Ca -0.19 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 1whm n PRO 36 Cb 0.54 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.62 0.11 2.19 -1.23 0.00 -1.26 -4.87 105.19 103.74 1whm n GLY 37 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.39 0.96 0.21 1.61 5.02 -0.07 -4.90 118.16 118.61 1whm n LYS 38 Ca -0.16 -2.06 0.10 0.00 -2.02 0.00 0.00 58.31 54.17 1whm n LYS 38 Cb 0.59 -0.30 0.28 0.00 -0.02 0.00 0.00 35.03 35.59 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 1.33 0.00 -0.71 1.97 3.07 -1.90 -3.08 114.58 115.26 1whm h GLU 39 Ca -0.33 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1whm h GLU 39 Cb 1.43 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.34 1whm h GLU 39 CO -0.03 0.16 0.00 0.43 -1.40 0.00 0.00 179.01 178.17 1whm n SER 40 N -3.18 4.34 -0.05 1.42 7.64 -1.26 -3.98 113.62 118.54 1whm n SER 40 Ca 0.02 -2.66 -0.06 0.00 1.01 0.00 0.00 58.87 57.19 1whm n SER 40 Cb 0.52 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 63.01 1whm n SER 40 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1whm n LEU 41 N 0.43 0.37 0.00 -3.43 4.77 -1.16 -5.12 117.00 112.85 1whm n LEU 41 Ca 0.20 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1whm n LEU 41 Cb 0.92 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1whm n LEU 41 CO 0.23 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1whm n GLY 42 N 2.42 0.47 2.90 -0.72 0.00 -1.26 -5.03 105.19 103.97 1whm n GLY 42 Ca -0.18 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.96 0.82 1.61 1.51 -1.26 -4.65 117.35 114.42 1whm s TYR 43 Ca 0.00 0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 56.24 1whm s TYR 43 Cb 0.00 -0.18 0.08 0.00 -0.11 0.00 0.00 41.96 41.75 1whm s TYR 43 CO 0.00 -0.98 1.09 -0.06 -1.11 0.00 0.00 175.55 174.50 1whm s PHE 44 N 2.53 2.48 -0.13 2.71 0.40 -1.01 -3.08 117.98 121.88 1whm s PHE 44 Ca 0.10 1.44 -0.15 0.00 -0.60 0.00 0.00 56.93 57.72 1whm s PHE 44 Cb -0.13 -3.09 0.04 0.00 0.51 0.00 0.00 43.02 40.35 1whm s PHE 44 CO -0.30 -2.02 0.41 0.08 0.70 0.00 0.00 175.22 174.08 1whm s VAL 45 N -2.92 0.01 -0.40 -0.44 1.01 0.20 -2.05 120.40 115.80 1whm s VAL 45 Ca 0.62 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 1whm s VAL 45 Cb -0.17 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1whm s VAL 45 CO 0.56 -0.03 0.27 -0.83 0.00 0.00 0.00 175.10 175.07 1whm s GLY 46 N -0.01 1.98 -0.35 4.51 0.00 -0.54 -0.84 107.32 112.07 1whm s GLY 46 Ca -0.02 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.83 1whm s GLY 46 CO 0.01 0.90 0.34 0.14 0.00 0.00 0.00 173.10 174.49 1whm s VAL 47 N 1.63 5.19 -0.90 1.40 1.01 -0.84 -3.40 120.40 124.50 1whm s VAL 47 Ca 0.04 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1whm s VAL 47 Cb -0.19 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1whm s VAL 47 CO 0.09 -0.10 1.39 -0.62 0.00 0.00 0.00 175.10 175.85 1whm s ASP 48 N 1.73 6.32 0.77 3.32 -1.08 0.30 -1.95 116.67 126.09 1whm s ASP 48 Ca 0.10 -0.99 -0.14 0.00 -0.52 0.00 0.00 52.55 51.00 1whm s ASP 48 Cb -0.17 -2.57 0.06 0.00 -1.46 0.00 0.00 42.92 38.79 1whm s ASP 48 CO 0.11 -1.68 1.18 -0.04 0.52 0.00 0.00 175.17 175.27 1whm s MET 49 N 5.36 1.93 0.18 4.34 -1.94 0.21 -0.22 119.30 129.15 1whm s MET 49 Ca 0.42 1.65 0.06 0.00 -1.71 0.00 0.00 55.69 56.11 1whm s MET 49 Cb -0.04 -1.82 0.03 0.00 2.01 0.00 0.00 34.83 35.01 1whm s MET 49 CO 0.01 -1.97 1.41 0.38 -0.01 0.00 0.00 175.02 174.84 1whm h ASP 50 N -0.69 0.12 -2.55 3.03 2.03 -1.89 -3.45 116.42 113.01 1whm h ASP 50 Ca -0.46 -0.10 -0.54 0.00 -0.73 0.00 0.00 57.03 55.20 1whm h ASP 50 Cb 1.28 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 1whm h ASP 50 CO 0.48 0.91 -0.48 0.20 -1.03 0.00 0.00 179.24 179.32 1whm s ASN 51 N -6.85 6.18 -1.13 4.15 0.01 -1.26 -5.01 114.94 111.03 1whm s ASN 51 Ca -0.01 0.10 -0.23 0.00 -0.71 0.00 0.00 52.86 52.01 1whm s ASN 51 Cb 0.11 -1.81 -0.10 0.00 0.41 0.00 0.00 41.25 39.85 1whm s ASN 51 CO 0.81 0.05 1.93 -0.81 -1.51 0.00 0.00 177.10 177.56 1whm n PRO 52 N -0.58 1.59 -1.49 -0.60 -0.04 -1.26 -4.44 135.00 128.18 1whm n PRO 52 Ca -0.07 -2.39 0.04 0.00 -0.04 0.00 0.00 63.50 61.03 1whm n PRO 52 Cb 0.54 -3.63 0.03 0.00 -0.04 0.00 0.00 33.50 30.40 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 7.58 0.07 -3.12 0.52 -5.35 -1.26 -4.93 119.36 112.86 1whm n ILE 53 Ca 0.45 -1.08 -0.01 0.00 -0.27 0.00 0.00 62.75 61.85 1whm n ILE 53 Cb 0.46 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 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 0.45 2.19 1.74 3.28 0.00 -1.26 -4.79 105.19 106.79 1whm n GLY 54 Ca 0.06 -2.15 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.73 -0.38 -3.62 1.61 6.94 -1.09 -4.30 115.26 111.69 1whm n ASN 55 Ca 0.01 -1.27 -0.19 0.00 -0.02 0.00 0.00 54.58 53.11 1whm n ASN 55 Cb 0.04 0.17 -0.15 0.00 -2.36 0.00 0.00 39.78 37.48 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 -0.12 -0.40 -2.53 -0.00 -0.85 -4.92 118.94 110.15 1whm s TRP 56 Ca 0.02 0.35 0.04 0.00 -0.00 0.00 0.00 56.10 56.51 1whm s TRP 56 Cb 0.11 -0.37 0.60 0.00 -0.00 0.00 0.00 33.47 33.81 1whm s TRP 56 CO -0.03 -0.37 1.82 -3.47 -0.00 0.00 0.00 176.95 174.89 1whm n ASP 57 N 5.31 3.71 -3.49 5.86 2.03 -1.26 -2.93 116.55 125.79 1whm n ASP 57 Ca -0.05 -3.42 -0.18 0.00 0.52 0.00 0.00 54.79 51.66 1whm n ASP 57 Cb 0.50 -0.80 0.07 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.93 -0.40 3.12 0.27 0.00 -1.26 -4.65 105.19 101.34 1whm n GLY 58 Ca 0.53 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 -5.47 0.69 -0.36 1.61 0.52 -1.26 -0.64 118.95 114.04 1whm s ARG 59 Ca 0.03 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1whm s ARG 59 Cb -0.01 -0.22 0.14 0.00 0.52 0.00 0.00 34.95 35.38 1whm s ARG 59 CO 0.75 0.01 0.21 0.12 0.02 0.00 0.00 175.30 176.41 1whm s PHE 60 N -2.68 0.93 -1.51 -0.53 5.36 0.31 -4.85 117.98 115.00 1whm s PHE 60 Ca 0.02 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.29 1whm s PHE 60 Cb -0.01 -1.10 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 1whm s PHE 60 CO -0.03 -0.82 0.00 -0.25 -1.46 0.00 0.00 175.22 172.66 1whm n ASP 61 N 4.07 -5.00 0.00 6.13 8.00 -1.26 -2.66 116.55 125.83 1whm n ASP 61 Ca 0.10 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1whm n ASP 61 Cb 0.37 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1whm n GLY 62 N -0.99 2.79 3.73 0.44 0.00 -1.26 -5.08 105.19 104.82 1whm n GLY 62 Ca -0.20 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.29 3.86 -0.16 1.61 0.11 -1.09 -5.02 120.40 119.43 1whm s VAL 63 Ca 0.00 1.53 -0.19 0.00 -2.93 0.00 0.00 61.98 60.40 1whm s VAL 63 Cb 0.00 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 1whm s VAL 63 CO 0.00 0.23 0.52 -1.58 -3.33 0.00 0.00 175.10 170.94 1whm s GLN 64 N -0.04 4.27 -0.14 1.54 2.00 -1.26 0.11 119.66 126.14 1whm s GLN 64 Ca 0.52 0.47 -0.05 0.00 -2.00 0.00 0.00 55.36 54.29 1whm s GLN 64 Cb -0.30 -3.50 -0.06 0.00 0.80 0.00 0.00 33.01 29.94 1whm s GLN 64 CO 0.34 -0.01 -0.16 1.28 -0.50 0.00 0.00 175.29 176.23 1whm n LEU 65 N 4.28 1.37 -4.43 3.68 4.77 0.19 -4.96 117.00 121.90 1whm n LEU 65 Ca -0.05 0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 1whm n LEU 65 Cb 0.51 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1whm n LEU 65 CO 0.43 0.37 -0.21 0.00 -1.33 0.00 0.00 177.39 176.65 1whm h SER 67 N 8.34 0.00 -0.84 0.00 4.64 -1.91 -3.25 113.55 120.53 1whm h SER 67 Ca -0.32 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.46 1whm h SER 67 Cb 1.14 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.99 1whm h SER 67 CO 0.61 0.79 0.69 0.49 -0.87 0.00 0.00 176.83 178.55 1whm n PHE 68 N -3.38 2.68 -4.78 4.77 3.01 -1.26 -4.90 117.46 113.59 1whm n PHE 68 Ca 0.00 -2.44 -0.25 0.00 1.01 0.00 0.00 57.45 55.78 1whm n PHE 68 Cb 0.82 -1.19 -0.16 0.00 -0.01 0.00 0.00 39.48 38.95 1whm n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1whm s ALA 69 N -3.10 1.41 0.12 4.37 0.00 -1.23 -5.01 121.76 118.32 1whm s ALA 69 Ca 0.53 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1whm s ALA 69 Cb 0.42 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1whm s ALA 69 CO 0.02 0.30 -0.13 0.00 0.00 0.00 0.00 175.76 175.95 1whm n VAL 71 N 0.48 4.26 -2.07 0.00 3.14 -1.18 -3.17 118.33 119.80 1whm n VAL 71 Ca -0.15 -2.73 -0.01 0.00 -2.96 0.00 0.00 64.34 58.50 1whm n VAL 71 Cb 0.57 -2.41 0.01 0.00 -1.06 0.00 0.00 33.84 30.95 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 3.04 0.12 0.00 1.45 0.28 -1.26 -4.53 120.64 119.74 1whm n GLU 72 Ca 0.70 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 1whm n GLU 72 Cb 0.34 0.28 0.00 0.00 1.43 0.00 0.00 31.44 33.49 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 -0.14 0.00 -4.75 -1.84 7.64 -1.23 -4.16 113.62 109.14 1whm n SER 73 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 1whm n SER 73 Cb 0.45 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.00 3.87 -0.07 0.44 2.01 -1.19 -0.62 115.64 120.09 1whm s THR 74 Ca 0.00 1.76 -0.01 0.00 0.31 0.00 0.00 61.69 63.74 1whm s THR 74 Cb 0.00 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1whm s THR 74 CO 0.00 0.37 0.01 -0.63 -0.69 0.00 0.00 174.62 173.67 1whm s ILE 75 N -0.75 0.34 -0.37 1.82 1.01 -0.82 -2.02 121.20 120.42 1whm s ILE 75 Ca 0.45 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.97 1whm s ILE 75 Cb -0.29 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1whm s ILE 75 CO 0.35 0.25 1.02 -0.22 0.00 0.00 0.00 174.94 176.34 1whm s LEU 76 N 1.99 3.91 0.00 2.97 2.96 -1.25 -1.98 118.68 127.28 1whm s LEU 76 Ca 0.05 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1whm s LEU 76 Cb -0.12 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1whm s LEU 76 CO -0.05 -0.93 0.42 0.18 -1.32 0.00 0.00 176.35 174.65 1whm n LEU 77 N 6.98 0.00 -4.75 -0.68 4.77 -0.02 -4.86 117.00 118.44 1whm n LEU 77 Ca 0.10 -3.05 -0.40 0.00 -0.03 0.00 0.00 56.01 52.62 1whm n LEU 77 Cb 0.48 2.27 -0.05 0.00 -2.33 0.00 0.00 43.42 43.79 1whm n LEU 77 CO 0.61 -0.62 0.72 -2.28 -1.33 0.00 0.00 177.39 174.48 1whm s HIS 78 N -3.05 3.77 0.27 -1.77 2.46 -1.26 0.58 115.29 116.28 1whm s HIS 78 Ca 0.34 1.77 -0.00 0.00 0.47 0.00 0.00 55.06 57.64 1whm s HIS 78 Cb 0.00 -3.13 0.60 0.00 -0.13 0.00 0.00 32.58 29.91 1whm s HIS 78 CO 0.24 -0.08 1.71 0.97 -2.47 0.00 0.00 174.74 175.11 1whm h ILE 79 N 3.44 0.54 -0.30 0.89 2.10 -1.87 0.62 117.51 122.93 1whm h ILE 79 Ca -0.45 -0.14 0.09 0.00 1.08 0.00 0.00 64.86 65.44 1whm h ILE 79 Cb 1.21 0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 1whm h ILE 79 CO 0.70 0.07 0.28 -1.13 -1.08 0.00 0.00 178.15 176.99 1whm h ASN 80 N 0.40 0.00 1.41 2.19 -1.24 -1.92 0.34 115.58 116.77 1whm h ASN 80 Ca 0.49 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.43 1whm h ASN 80 Cb 0.86 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 1whm h ASN 80 CO -0.49 0.00 -0.35 0.44 -1.29 0.00 0.00 177.43 175.74 1whm h ASP 81 N 0.00 0.00 -4.07 1.15 3.32 -0.13 -3.45 116.42 113.23 1whm h ASP 81 Ca 0.14 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.72 1whm h ASP 81 Cb 0.70 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.28 1whm h ASP 81 CO -0.00 0.35 0.39 -0.63 -1.72 0.00 0.00 179.24 177.63 1whm s ILE 82 N -3.19 3.72 -0.33 0.35 1.01 0.12 -0.97 121.20 121.91 1whm s ILE 82 Ca 0.03 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.74 1whm s ILE 82 Cb 0.08 -3.43 0.11 0.00 0.01 0.00 0.00 42.46 39.23 1whm s ILE 82 CO 0.70 -0.23 0.15 -0.63 0.00 0.00 0.00 174.94 174.93 1whm s ILE 83 N -1.96 0.49 1.27 2.92 1.01 0.21 -4.89 121.20 120.25 1whm s ILE 83 Ca 0.68 -1.40 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 1whm s ILE 83 Cb -0.17 -1.38 0.31 0.00 0.01 0.00 0.00 42.46 41.23 1whm s ILE 83 CO 0.21 -0.78 1.01 -2.16 0.00 0.00 0.00 174.94 173.22 1whm s PRO 84 N 1.51 -1.71 -0.63 2.79 0.04 -1.26 0.10 135.00 135.84 1whm s PRO 84 Ca 0.12 0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 1whm s PRO 84 Cb -0.19 -1.51 0.45 0.00 0.04 0.00 0.00 34.50 33.29 1whm s PRO 84 CO -0.21 -4.11 2.03 -1.91 0.04 0.00 0.00 177.00 172.84 1whm n GLU 85 N -5.10 2.60 -1.02 4.56 2.13 -1.24 -4.15 120.64 118.42 1whm n GLU 85 Ca 0.09 -3.15 -0.07 0.00 0.66 0.00 0.00 57.16 54.69 1whm n GLU 85 Cb 0.58 -2.24 -0.06 0.00 0.27 0.00 0.00 31.44 29.99 1whm n GLU 85 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1whm n SER 86 N -0.85 -0.97 -0.96 4.31 7.64 -1.26 -5.15 113.62 116.37 1whm n SER 86 Ca 0.61 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1whm n SER 86 Cb 0.72 0.30 -0.00 0.00 -1.01 0.00 0.00 64.21 64.22 1whm n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whm n SER 87 N -0.04 -5.76 0.00 6.43 7.64 -1.26 -4.96 113.62 115.67 1whm n SER 87 Ca -0.27 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1whm n SER 87 Cb 0.69 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.03 -1.19 3.46 0.23 0.00 -1.26 -4.74 105.19 101.66 1whm n GLY 88 Ca 0.00 0.90 -0.51 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 1.11 -3.84 1.61 -0.02 -1.26 -4.93 135.00 127.67 1whm n PRO 89 Ca 0.00 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1whm n PRO 89 Cb 0.00 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 30.90 1whm n PRO 89 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whm s SER 90 N 7.08 4.87 -0.30 2.55 0.15 -1.26 -5.04 113.70 121.75 1whm s SER 90 Ca 1.09 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 56.87 1whm s SER 90 Cb -0.86 -1.79 0.19 0.00 -1.71 0.00 0.00 66.02 61.85 1whm s SER 90 CO 0.50 -0.20 0.59 -0.44 1.20 0.00 0.00 173.24 174.89 1whm s SER 91 N 1.40 -1.47 0.00 5.45 0.01 -1.26 -5.30 113.70 112.54 1whm s SER 91 Ca 0.00 0.61 0.20 0.00 1.31 0.00 0.00 55.95 58.07 1whm s SER 91 Cb -0.18 2.11 0.16 0.00 0.21 0.00 0.00 66.02 68.32 1whm s SER 91 CO -0.00 -0.28 1.15 0.61 0.41 0.00 0.00 173.24 175.13