#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 1.88 -4.14 1.61 7.64 -1.26 -5.04 113.62 114.31 1whm n SER 2 Ca 0.00 -0.05 -0.26 0.00 1.01 0.00 0.00 58.87 59.57 1whm n SER 2 Cb 0.00 0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1whm n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whm n SER 3 N -2.78 3.05 -0.07 6.43 3.41 -1.26 -5.09 113.62 117.31 1whm n SER 3 Ca -0.28 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1whm n SER 3 Cb 0.93 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1whm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whm n GLY 4 N 0.05 0.62 2.77 5.00 0.00 -1.26 -5.10 105.19 107.26 1whm n GLY 4 Ca -0.17 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.02 1.25 -0.48 1.61 0.01 -1.26 -5.01 113.70 109.81 1whm s SER 5 Ca 0.00 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.28 1whm s SER 5 Cb 0.00 0.24 0.18 0.00 0.21 0.00 0.00 66.02 66.66 1whm s SER 5 CO 0.00 -0.29 0.60 -0.94 0.41 0.00 0.00 173.24 173.02 1whm s SER 6 N 2.28 -0.57 0.00 2.44 1.04 -1.26 -5.05 113.70 112.58 1whm s SER 6 Ca 0.04 -2.07 0.00 0.00 0.48 0.00 0.00 55.95 54.40 1whm s SER 6 Cb -0.14 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1whm s SER 6 CO -0.09 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1whm n GLY 7 N 3.01 -0.21 3.76 7.32 0.00 -1.26 -5.04 105.19 112.77 1whm n GLY 7 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.38 3.05 0.00 1.61 0.04 -1.26 -4.98 135.00 133.09 1whm s PRO 8 Ca 0.00 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.51 1whm s PRO 8 Cb 0.00 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 1whm s PRO 8 CO 0.00 -1.11 1.34 -1.00 0.04 0.00 0.00 177.00 176.26 1whm h PRO 9 N 0.87 0.08 -6.63 0.56 0.13 -1.96 -3.44 132.00 121.62 1whm h PRO 9 Ca -0.50 -0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.08 1whm h PRO 9 Cb 1.28 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1whm h PRO 9 CO 0.55 0.49 0.48 -1.17 -0.23 0.00 0.00 178.00 178.12 1whm s LEU 10 N -9.31 4.47 0.43 1.56 2.96 -1.26 -5.02 118.68 112.51 1whm s LEU 10 Ca -0.15 2.05 -0.22 0.00 -0.22 0.00 0.00 54.13 55.60 1whm s LEU 10 Cb 0.03 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 1whm s LEU 10 CO 0.69 -0.24 0.98 -1.61 -1.32 0.00 0.00 176.35 174.84 1whm s GLU 11 N -0.15 4.16 0.46 1.98 2.02 -1.26 -4.90 118.70 121.00 1whm s GLU 11 Ca 0.50 1.23 -0.08 0.00 0.02 0.00 0.00 54.97 56.64 1whm s GLU 11 Cb -0.29 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 1whm s GLU 11 CO 0.34 -0.10 0.80 0.42 0.02 0.00 0.00 175.26 176.74 1whm s ILE 12 N -2.03 4.83 -1.80 -1.63 -1.09 -1.26 -4.00 121.20 114.21 1whm s ILE 12 Ca 0.62 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 1whm s ILE 12 Cb -0.13 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1whm s ILE 12 CO 0.17 -0.72 0.00 0.59 -1.23 0.00 0.00 174.94 173.75 1whm n ASN 13 N -1.83 -5.91 -4.59 3.58 4.13 -1.23 -4.98 115.26 104.44 1whm n ASN 13 Ca 0.02 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.05 1whm n ASN 13 Cb 0.54 -4.93 -0.08 0.00 -1.54 0.00 0.00 39.78 33.78 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 4.24 -0.38 6.41 0.01 -1.26 -4.90 113.70 115.74 1whm s SER 14 Ca 0.00 -0.77 -0.14 0.00 1.31 0.00 0.00 55.95 56.35 1whm s SER 14 Cb 0.00 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1whm s SER 14 CO 0.00 0.01 0.30 -0.13 0.41 0.00 0.00 173.24 173.83 1whm s ARG 15 N -3.62 3.21 0.05 12.44 1.81 -1.26 0.05 118.95 131.62 1whm s ARG 15 Ca 0.31 -0.82 0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1whm s ARG 15 Cb -0.06 -3.90 -0.02 0.00 -0.45 0.00 0.00 34.95 30.51 1whm s ARG 15 CO 0.18 -0.63 -0.12 0.14 -0.68 0.00 0.00 175.30 174.19 1whm s VAL 16 N 1.76 0.97 0.48 3.52 -7.23 0.29 -4.04 120.40 116.16 1whm s VAL 16 Ca 0.06 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1whm s VAL 16 Cb -0.18 -0.92 0.01 0.00 0.56 0.00 0.00 36.38 35.85 1whm s VAL 16 CO 0.11 -0.14 0.70 -0.44 -0.31 0.00 0.00 175.10 175.02 1whm s SER 17 N -1.36 5.62 -0.00 4.85 0.01 0.08 0.11 113.70 122.99 1whm s SER 17 Ca -0.02 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.42 1whm s SER 17 Cb -0.09 -1.25 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 1whm s SER 17 CO 0.01 -0.86 -0.13 -0.76 0.41 0.00 0.00 173.24 171.91 1whm s LEU 18 N -4.62 2.04 -0.66 2.44 1.43 0.20 0.81 118.68 120.33 1whm s LEU 18 Ca 0.52 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1whm s LEU 18 Cb -0.10 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.48 1whm s LEU 18 CO 0.38 0.15 1.11 -0.75 0.23 0.00 0.00 176.35 177.47 1whm s LYS 19 N -0.40 3.24 -0.29 1.70 2.36 0.26 -0.07 119.74 126.54 1whm s LYS 19 Ca 0.05 -0.35 -0.07 0.00 -2.55 0.00 0.00 55.97 53.05 1whm s LYS 19 Cb -0.05 -4.15 0.00 0.00 -1.05 0.00 0.00 37.83 32.58 1whm s LYS 19 CO -0.00 -1.86 0.07 0.14 1.55 0.00 0.00 175.35 175.24 1whm s VAL 20 N 4.80 3.95 0.00 4.02 -7.23 0.16 -4.95 120.40 121.17 1whm s VAL 20 Ca 0.31 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1whm s VAL 20 Cb -0.11 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.82 1whm s VAL 20 CO 0.16 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1whm n GLY 21 N 4.87 0.26 0.93 2.32 0.00 -1.26 -0.89 105.19 111.42 1whm n GLY 21 Ca -0.15 0.67 0.05 0.00 0.00 0.00 0.00 46.02 46.59 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 0.75 -3.92 1.61 1.02 -1.26 -5.07 120.64 113.77 1whm n GLU 22 Ca 0.00 -2.49 -0.09 0.00 -0.02 0.00 0.00 57.16 54.55 1whm n GLU 22 Cb 0.00 -0.83 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.55 0.03 0.02 2.62 -1.32 -0.06 -5.17 115.64 110.20 1whm s THR 23 Ca 0.32 -1.24 0.04 0.00 -1.21 0.00 0.00 61.69 59.60 1whm s THR 23 Cb 0.34 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 1whm s THR 23 CO -0.10 -0.12 -0.05 -0.63 -2.21 0.00 0.00 174.62 171.51 1whm s ILE 24 N -3.97 3.73 -0.12 5.08 -1.09 -1.26 0.41 121.20 123.97 1whm s ILE 24 Ca 0.18 -0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1whm s ILE 24 Cb 0.00 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1whm s ILE 24 CO 0.03 0.33 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.38 1whm s GLU 25 N -1.63 1.56 0.42 2.79 0.41 0.90 -4.87 118.70 118.28 1whm s GLU 25 Ca 0.19 -0.32 -0.26 0.00 -0.41 0.00 0.00 54.97 54.17 1whm s GLU 25 Cb -0.11 -1.69 -0.09 0.00 -1.78 0.00 0.00 34.13 30.46 1whm s GLU 25 CO 0.10 -0.29 1.36 -1.12 -0.49 0.00 0.00 175.26 174.82 1whm s SER 26 N 1.68 6.14 0.34 -0.19 0.01 -1.26 0.60 113.70 121.01 1whm s SER 26 Ca 0.04 2.78 -0.14 0.00 1.31 0.00 0.00 55.95 59.94 1whm s SER 26 Cb -0.13 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.08 -0.98 0.68 -0.83 0.41 0.00 0.00 173.24 172.43 1whm s GLY 27 N -0.61 0.47 0.10 3.44 0.00 0.29 -4.20 107.32 106.80 1whm s GLY 27 Ca 0.58 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 44.57 1whm s GLY 27 CO 0.53 -0.41 -0.06 -1.59 0.00 0.00 0.00 173.10 171.57 1whm s THR 28 N -3.03 3.65 0.37 0.90 2.01 0.65 0.10 115.64 120.30 1whm s THR 28 Ca 0.18 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1whm s THR 28 Cb -0.04 -2.72 -0.07 0.00 0.01 0.00 0.00 72.50 69.68 1whm s THR 28 CO 0.12 0.12 0.73 -0.69 -0.69 0.00 0.00 174.62 174.21 1whm s VAL 29 N -1.25 4.79 0.00 3.82 1.01 0.11 0.96 120.40 129.83 1whm s VAL 29 Ca 0.23 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1whm s VAL 29 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1whm s VAL 29 CO 0.15 -0.42 0.00 2.30 0.00 0.00 0.00 175.10 177.14 1whm n ILE 30 N -1.03 0.00 -4.21 2.22 -5.35 -1.17 -3.47 119.36 106.35 1whm n ILE 30 Ca 0.02 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.25 1whm n ILE 30 Cb 0.54 -0.02 -0.17 0.00 -1.74 0.00 0.00 39.64 38.25 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 1.32 -0.17 4.28 5.36 -1.23 -4.94 117.98 121.31 1whm s PHE 31 Ca 0.00 -0.55 -0.05 0.00 -0.96 0.00 0.00 56.93 55.37 1whm s PHE 31 Cb 0.00 -1.06 0.06 0.00 -0.34 0.00 0.00 43.02 41.68 1whm s PHE 31 CO 0.00 -0.36 0.11 0.00 -1.46 0.00 0.00 175.22 173.51 1whm n ASP 33 N 5.29 0.00 -4.88 0.00 2.03 -0.18 -4.66 116.55 114.15 1whm n ASP 33 Ca -0.07 -0.95 -0.21 0.00 0.52 0.00 0.00 54.79 54.09 1whm n ASP 33 Cb 0.49 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.96 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 2.29 0.16 5.18 -7.23 -1.26 -0.46 120.40 116.95 1whm s VAL 34 Ca 0.00 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1whm s VAL 34 Cb 0.00 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1whm s VAL 34 CO 0.00 0.00 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.91 1whm s LEU 35 N -4.83 2.52 0.08 1.32 1.43 -1.26 -4.88 118.68 113.07 1whm s LEU 35 Ca 0.62 -0.99 -0.34 0.00 -1.03 0.00 0.00 54.13 52.39 1whm s LEU 35 Cb -0.06 -0.46 -0.14 0.00 0.03 0.00 0.00 46.19 45.56 1whm s LEU 35 CO 0.40 -0.26 1.62 -2.65 0.23 0.00 0.00 176.35 175.69 1whm n PRO 36 N -0.16 2.00 -2.28 1.29 -0.02 -1.26 -1.15 135.00 133.42 1whm n PRO 36 Ca -0.10 0.72 -0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1whm n PRO 36 Cb 0.60 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.54 -0.14 1.60 -1.23 0.00 -1.26 -4.82 105.19 102.88 1whm n GLY 37 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.87 0.26 0.08 1.61 5.02 -0.30 -4.88 118.16 117.08 1whm n LYS 38 Ca -0.22 -1.93 -0.11 0.00 -2.02 0.00 0.00 58.31 54.03 1whm n LYS 38 Cb 0.67 -0.06 -0.10 0.00 -0.02 0.00 0.00 35.03 35.52 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 0.97 0.16 -0.07 1.97 5.08 -1.84 -3.25 114.58 117.61 1whm h GLU 39 Ca -0.30 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 1whm h GLU 39 Cb 1.70 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1whm h GLU 39 CO 0.01 1.08 -0.37 0.77 -1.00 0.00 0.00 179.01 179.50 1whm h SER 40 N 0.06 0.13 -0.59 1.42 0.02 -1.93 -2.99 113.55 109.67 1whm h SER 40 Ca -0.07 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1whm h SER 40 Cb 1.79 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 64.26 1whm h SER 40 CO 0.16 0.50 0.38 -0.07 -1.14 0.00 0.00 176.83 176.66 1whm h LEU 41 N 0.11 0.64 0.00 5.07 3.38 -1.93 -3.49 115.31 119.10 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 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1whm h LEU 41 CO 0.05 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.65 1whm n GLY 42 N -1.26 -0.03 2.62 0.83 0.00 -1.13 -5.05 105.19 101.17 1whm n GLY 42 Ca 0.05 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.02 1.03 0.68 1.61 1.51 -1.26 -4.68 117.35 116.21 1whm s TYR 43 Ca 0.00 -1.38 -0.16 0.00 -1.01 0.00 0.00 57.07 54.52 1whm s TYR 43 Cb 0.00 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 1whm s TYR 43 CO 0.00 -0.85 1.17 -0.06 -1.11 0.00 0.00 175.55 174.70 1whm s PHE 44 N 1.72 2.32 -0.09 2.71 0.40 0.40 -3.05 117.98 122.39 1whm s PHE 44 Ca 0.10 1.57 -0.07 0.00 -0.60 0.00 0.00 56.93 57.94 1whm s PHE 44 Cb -0.18 -3.36 0.03 0.00 0.51 0.00 0.00 43.02 40.03 1whm s PHE 44 CO -0.27 -2.19 0.23 0.08 0.70 0.00 0.00 175.22 173.77 1whm s VAL 45 N -2.06 -0.02 -0.32 -0.44 1.01 0.25 -1.01 120.40 117.81 1whm s VAL 45 Ca 0.72 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 1whm s VAL 45 Cb -0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1whm s VAL 45 CO 0.42 0.03 0.47 -0.83 0.00 0.00 0.00 175.10 175.18 1whm s GLY 46 N 0.62 1.84 -0.18 4.51 0.00 0.24 -0.76 107.32 113.59 1whm s GLY 46 Ca -0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.68 1whm s GLY 46 CO -0.03 1.17 0.01 0.14 0.00 0.00 0.00 173.10 174.39 1whm s VAL 47 N 2.27 4.26 -0.54 1.40 1.01 0.79 -3.06 120.40 126.53 1whm s VAL 47 Ca 0.17 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1whm s VAL 47 Cb -0.16 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.40 1whm s VAL 47 CO 0.12 0.46 0.63 -0.62 0.00 0.00 0.00 175.10 175.69 1whm s ASP 48 N 0.58 6.20 0.99 3.32 2.15 0.27 0.27 116.67 130.45 1whm s ASP 48 Ca 0.00 -1.21 -0.13 0.00 0.43 0.00 0.00 52.55 51.64 1whm s ASP 48 Cb -0.14 -2.28 0.18 0.00 -0.30 0.00 0.00 42.92 40.38 1whm s ASP 48 CO 0.02 -0.96 1.12 -0.04 -0.17 0.00 0.00 175.17 175.14 1whm s MET 49 N 2.52 0.50 -0.05 4.34 -1.94 -0.85 -0.25 119.30 123.55 1whm s MET 49 Ca 0.12 0.32 0.10 0.00 -1.71 0.00 0.00 55.69 54.51 1whm s MET 49 Cb -0.22 -1.76 -0.23 0.00 2.01 0.00 0.00 34.83 34.62 1whm s MET 49 CO 0.09 -2.64 0.63 -0.25 -0.01 0.00 0.00 175.02 172.83 1whm n ASP 50 N -4.08 1.05 -4.97 3.03 8.00 -1.26 -4.81 116.55 113.51 1whm n ASP 50 Ca 0.07 0.39 -0.21 0.00 0.71 0.00 0.00 54.79 55.75 1whm n ASP 50 Cb 0.58 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1whm n ASP 50 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1whm s ASN 51 N -6.23 6.21 -1.11 -2.24 0.02 -1.26 -5.00 114.94 105.34 1whm s ASN 51 Ca -0.07 0.12 -0.23 0.00 -1.02 0.00 0.00 52.86 51.66 1whm s ASN 51 Cb 0.08 -1.76 -0.06 0.00 0.02 0.00 0.00 41.25 39.53 1whm s ASN 51 CO 0.82 -0.23 1.90 -2.16 0.02 0.00 0.00 177.10 177.44 1whm s PRO 52 N -4.13 2.68 0.00 -0.60 0.04 -1.26 -4.47 135.00 127.25 1whm s PRO 52 Ca 0.38 -0.98 0.13 0.00 0.04 0.00 0.00 61.00 60.57 1whm s PRO 52 Cb -0.09 -5.22 0.22 0.00 0.04 0.00 0.00 34.50 29.44 1whm s PRO 52 CO 0.32 -3.59 1.06 0.44 0.04 0.00 0.00 177.00 175.26 1whm n ILE 53 N 7.67 0.00 -2.16 0.56 -5.35 -0.91 -5.02 119.36 114.14 1whm n ILE 53 Ca 0.43 -0.50 -0.26 0.00 -0.27 0.00 0.00 62.75 62.15 1whm n ILE 53 Cb 0.47 0.72 0.17 0.00 -1.74 0.00 0.00 39.64 39.26 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 0.25 -0.69 1.41 3.28 0.00 0.30 -4.87 105.19 104.88 1whm n GLY 54 Ca 0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.49 -0.17 -3.67 1.61 6.94 -1.09 -4.54 115.26 110.85 1whm n ASN 55 Ca 0.16 -0.96 -0.13 0.00 -0.02 0.00 0.00 54.58 53.63 1whm n ASN 55 Cb 0.57 0.08 -0.13 0.00 -2.36 0.00 0.00 39.78 37.93 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 -0.42 -0.38 -2.53 -0.00 -1.20 -4.93 118.94 109.48 1whm s TRP 56 Ca 0.01 0.96 0.06 0.00 -0.00 0.00 0.00 56.10 57.13 1whm s TRP 56 Cb 0.04 -0.02 0.66 0.00 -0.00 0.00 0.00 33.47 34.15 1whm s TRP 56 CO -0.01 -0.34 1.80 -3.47 -0.00 0.00 0.00 176.95 174.93 1whm n ASP 57 N 5.23 4.16 -3.53 5.86 2.03 -1.26 -2.19 116.55 126.85 1whm n ASP 57 Ca -0.08 -3.33 -0.19 0.00 0.52 0.00 0.00 54.79 51.71 1whm n ASP 57 Cb 0.50 -0.78 0.06 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.60 -0.44 3.18 0.27 0.00 -1.19 -4.77 105.19 101.63 1whm n GLY 58 Ca 0.48 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.53 0.76 -0.40 1.61 0.52 -1.26 -1.72 118.95 112.92 1whm s ARG 59 Ca 0.07 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1whm s ARG 59 Cb -0.01 0.30 0.14 0.00 0.52 0.00 0.00 34.95 35.90 1whm s ARG 59 CO 0.77 -0.22 0.23 0.12 0.02 0.00 0.00 175.30 176.22 1whm s PHE 60 N -3.45 1.48 -1.48 -0.53 5.36 0.29 -4.83 117.98 114.82 1whm s PHE 60 Ca 0.02 -2.10 0.00 0.00 -0.96 0.00 0.00 56.93 53.89 1whm s PHE 60 Cb 0.03 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 1whm s PHE 60 CO -0.09 -0.80 0.00 -3.47 -1.46 0.00 0.00 175.22 169.40 1whm n ASP 61 N 3.75 -4.91 0.00 6.13 2.03 -1.26 -2.87 116.55 119.42 1whm n ASP 61 Ca 0.10 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1whm n ASP 61 Cb 0.35 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 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 -1.00 3.23 3.70 0.27 0.00 -1.26 -5.08 105.19 105.05 1whm n GLY 62 Ca -0.19 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.01 3.86 -0.20 1.61 0.11 -1.14 -4.99 120.40 119.64 1whm s VAL 63 Ca 0.00 1.29 -0.27 0.00 -2.93 0.00 0.00 61.98 60.07 1whm s VAL 63 Cb 0.00 -3.83 -0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1whm s VAL 63 CO 0.00 0.05 0.91 -1.58 -3.33 0.00 0.00 175.10 171.15 1whm s GLN 64 N 1.65 4.26 -0.19 1.54 2.00 -1.26 0.11 119.66 127.77 1whm s GLN 64 Ca 0.61 1.13 -0.04 0.00 -2.00 0.00 0.00 55.36 55.06 1whm s GLN 64 Cb -0.30 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 29.79 1whm s GLN 64 CO 0.27 -0.47 -0.20 1.28 -0.50 0.00 0.00 175.29 175.66 1whm n LEU 65 N 5.77 2.27 -4.23 3.68 4.77 -0.70 -4.91 117.00 123.64 1whm n LEU 65 Ca 0.07 0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 1whm n LEU 65 Cb 0.48 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1whm n LEU 65 CO 0.49 0.63 -0.27 0.00 -1.33 0.00 0.00 177.39 176.91 1whm h SER 67 N 8.15 0.00 -0.91 0.00 4.64 -1.91 -3.11 113.55 120.40 1whm h SER 67 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 1whm h SER 67 Cb 1.07 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.93 1whm h SER 67 CO 0.59 0.56 0.73 0.49 -0.87 0.00 0.00 176.83 178.33 1whm n PHE 68 N -3.81 2.61 -3.92 4.77 3.72 -1.26 -4.84 117.46 114.73 1whm n PHE 68 Ca -0.01 -2.60 -0.30 0.00 -0.05 0.00 0.00 57.45 54.49 1whm n PHE 68 Cb 0.57 -1.28 -0.16 0.00 -0.94 0.00 0.00 39.48 37.68 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 -3.12 1.96 -0.16 4.37 0.00 -1.18 -4.97 121.76 118.67 1whm s ALA 69 Ca 0.53 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 1whm s ALA 69 Cb 0.42 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1whm s ALA 69 CO -0.05 -1.27 0.03 0.00 0.00 0.00 0.00 175.76 174.46 1whm n VAL 71 N 3.30 1.22 0.00 0.00 3.14 -0.93 -3.08 118.33 121.98 1whm n VAL 71 Ca -0.17 -1.21 0.00 0.00 -2.96 0.00 0.00 64.34 59.99 1whm n VAL 71 Cb 0.53 -2.14 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 1.21 -6.46 0.00 0.00 176.83 171.58 1whm n GLU 72 N 7.98 0.00 0.00 1.45 2.13 -1.26 -4.75 120.64 126.19 1whm n GLU 72 Ca 0.45 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1whm n GLU 72 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 -1.54 2.32 -4.77 4.31 7.64 -1.18 0.11 113.62 120.51 1whm n SER 73 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1whm n SER 73 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.69 2.17 -0.15 0.44 2.01 -1.19 -2.01 115.64 115.21 1whm s THR 74 Ca 0.00 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 1whm s THR 74 Cb 0.00 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.49 1whm s THR 74 CO 0.00 0.03 0.23 -0.63 -0.69 0.00 0.00 174.62 173.56 1whm s ILE 75 N -1.17 -0.36 -0.28 1.82 1.01 0.14 -2.68 121.20 119.67 1whm s ILE 75 Ca 0.56 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 1whm s ILE 75 Cb -0.44 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 1whm s ILE 75 CO 0.58 0.00 0.71 -0.22 0.00 0.00 0.00 174.94 176.02 1whm s LEU 76 N 2.37 4.10 0.36 2.97 2.96 -1.26 -0.15 118.68 130.03 1whm s LEU 76 Ca 0.04 0.66 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1whm s LEU 76 Cb -0.13 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.59 1whm s LEU 76 CO -0.09 -0.50 0.48 -0.76 -1.32 0.00 0.00 176.35 174.15 1whm s LEU 77 N 2.74 1.15 0.16 -0.68 1.43 0.06 -4.86 118.68 118.67 1whm s LEU 77 Ca 0.29 -1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 51.51 1whm s LEU 77 Cb -0.15 1.42 -0.07 0.00 0.03 0.00 0.00 46.19 47.42 1whm s LEU 77 CO 0.11 -1.32 1.10 -2.28 0.23 0.00 0.00 176.35 174.19 1whm s HIS 78 N -2.91 3.59 0.41 0.29 2.46 -1.26 0.84 115.29 118.70 1whm s HIS 78 Ca 0.32 1.58 0.19 0.00 0.47 0.00 0.00 55.06 57.62 1whm s HIS 78 Cb -0.01 -3.28 1.12 0.00 -0.13 0.00 0.00 32.58 30.29 1whm s HIS 78 CO 0.23 -0.63 1.78 0.97 -2.47 0.00 0.00 174.74 174.62 1whm h ILE 79 N 3.86 0.54 -0.06 0.89 2.10 -1.87 0.84 117.51 123.81 1whm h ILE 79 Ca -0.44 -0.13 0.02 0.00 1.08 0.00 0.00 64.86 65.39 1whm h ILE 79 Cb 1.21 0.13 -0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1whm h ILE 79 CO 0.73 0.07 0.05 0.78 -1.08 0.00 0.00 178.15 178.70 1whm h ASN 80 N 0.38 0.00 -0.03 2.19 4.21 -1.91 0.24 115.58 120.65 1whm h ASN 80 Ca 0.58 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.09 1whm h ASN 80 Cb 1.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.70 1whm h ASN 80 CO -0.27 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.34 1whm n ASP 81 N -4.25 0.72 -4.84 5.81 9.92 0.29 -4.84 116.55 119.35 1whm n ASP 81 Ca -0.02 -1.35 -0.32 0.00 -0.53 0.00 0.00 54.79 52.58 1whm n ASP 81 Cb 0.15 -0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 1whm n ASP 81 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1whm s ILE 82 N -1.96 5.00 -0.39 0.53 1.01 0.83 0.92 121.20 127.13 1whm s ILE 82 Ca 0.38 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1whm s ILE 82 Cb 0.19 -3.38 0.13 0.00 0.01 0.00 0.00 42.46 39.41 1whm s ILE 82 CO 0.31 0.21 0.20 -0.63 0.00 0.00 0.00 174.94 175.03 1whm s ILE 83 N -1.38 0.99 0.00 2.92 1.01 0.24 -4.92 121.20 120.06 1whm s ILE 83 Ca 0.30 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.84 1whm s ILE 83 Cb -0.12 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1whm s ILE 83 CO 0.22 -0.87 0.00 -0.81 0.00 0.00 0.00 174.94 173.48 1whm n PRO 84 N 3.94 -0.62 -2.92 2.79 -0.04 -1.26 -0.74 135.00 136.14 1whm n PRO 84 Ca 0.07 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.09 1whm n PRO 84 Cb 0.37 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.81 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 -2.35 3.82 -0.95 0.54 2.56 -1.26 -4.77 118.70 116.29 1whm s GLU 85 Ca 0.00 -2.11 -0.18 0.00 0.00 0.00 0.00 54.97 52.68 1whm s GLU 85 Cb 0.00 -5.00 0.14 0.00 2.00 0.00 0.00 34.13 31.27 1whm s GLU 85 CO 0.00 -1.78 1.15 -1.12 -0.56 0.00 0.00 175.26 172.94 1whm s SER 86 N 3.32 6.67 -0.30 -1.70 0.01 -1.26 -4.91 113.70 115.54 1whm s SER 86 Ca 0.37 -2.15 -0.19 0.00 1.31 0.00 0.00 55.95 55.30 1whm s SER 86 Cb -0.04 -2.39 0.19 0.00 0.21 0.00 0.00 66.02 63.99 1whm s SER 86 CO -0.05 -1.02 1.26 -0.55 0.41 0.00 0.00 173.24 173.29 1whm s SER 87 N 3.52 -0.13 -0.46 2.44 0.15 -1.26 -5.08 113.70 112.87 1whm s SER 87 Ca 0.33 0.22 0.09 0.00 0.70 0.00 0.00 55.95 57.29 1whm s SER 87 Cb -0.05 0.81 0.38 0.00 -1.71 0.00 0.00 66.02 65.45 1whm s SER 87 CO -0.09 -0.04 0.93 0.61 1.20 0.00 0.00 173.24 175.85 1whm n GLY 88 N 2.75 4.63 2.77 9.45 0.00 -1.26 -4.98 105.19 118.54 1whm n GLY 88 Ca -0.15 -2.30 -0.27 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.13 1.83 -3.29 1.61 -0.04 -1.26 -4.88 135.00 128.85 1whm n PRO 89 Ca 0.28 -1.53 -0.40 0.00 -0.04 0.00 0.00 63.50 61.81 1whm n PRO 89 Cb 0.57 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.39 1whm n PRO 89 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1whm s SER 90 N 3.93 6.35 0.35 3.54 0.01 -1.26 -4.95 113.70 121.67 1whm s SER 90 Ca 0.43 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1whm s SER 90 Cb 0.11 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1whm s SER 90 CO 0.01 -0.29 0.00 -1.20 0.41 0.00 0.00 173.24 172.17 1whm n SER 91 N 5.51 -8.56 0.00 2.44 7.64 -1.26 -5.33 113.62 114.05 1whm n SER 91 Ca -0.06 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1whm n SER 91 Cb 0.50 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64