#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 2.83 -0.26 1.61 0.15 -1.26 -5.11 113.70 111.66 1whm s SER 2 Ca 0.00 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 1whm s SER 2 Cb 0.00 -0.30 0.09 0.00 -1.71 0.00 0.00 66.02 64.10 1whm s SER 2 CO 0.00 0.28 0.10 -0.94 1.20 0.00 0.00 173.24 173.88 1whm s SER 3 N -0.72 3.32 0.00 5.45 1.04 -1.26 -5.10 113.70 116.43 1whm s SER 3 Ca 0.09 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1whm s SER 3 Cb -0.09 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1whm s SER 3 CO -0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1whm n GLY 4 N 5.15 4.19 2.88 7.32 0.00 -1.26 -5.12 105.19 118.36 1whm n GLY 4 Ca -0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1whm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whm s SER 5 N 0.00 -1.38 -0.55 1.61 0.15 -1.26 -5.02 113.70 107.25 1whm s SER 5 Ca 0.00 -1.49 -0.08 0.00 0.70 0.00 0.00 55.95 55.08 1whm s SER 5 Cb 0.00 1.85 0.01 0.00 -1.71 0.00 0.00 66.02 66.17 1whm s SER 5 CO 0.00 -0.09 0.62 -1.20 1.20 0.00 0.00 173.24 173.77 1whm n SER 6 N 3.38 -7.64 -4.47 5.45 7.64 -1.26 -4.95 113.62 111.77 1whm n SER 6 Ca 0.16 0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.85 1whm n SER 6 Cb 0.56 -5.18 -0.05 0.00 -1.01 0.00 0.00 64.21 58.52 1whm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whm s GLY 7 N -2.74 1.64 0.42 0.23 0.00 -1.26 -5.05 107.32 100.57 1whm s GLY 7 Ca 0.13 -1.58 -0.25 0.00 0.00 0.00 0.00 44.72 43.02 1whm s GLY 7 CO 0.73 1.68 1.22 2.56 0.00 0.00 0.00 173.10 179.29 1whm s PRO 8 N 3.10 3.91 0.25 2.90 0.04 -1.26 -4.95 135.00 138.99 1whm s PRO 8 Ca 0.20 1.96 0.10 0.00 0.04 0.00 0.00 61.00 63.30 1whm s PRO 8 Cb -0.17 -2.63 0.28 0.00 0.04 0.00 0.00 34.50 32.03 1whm s PRO 8 CO 0.14 -0.48 1.57 -1.00 0.04 0.00 0.00 177.00 177.27 1whm h PRO 9 N 2.46 0.00 -5.51 0.56 0.13 -1.96 -3.43 132.00 124.25 1whm h PRO 9 Ca -0.49 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.03 1whm h PRO 9 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 1whm h PRO 9 CO 0.62 0.66 0.10 -1.17 -0.23 0.00 0.00 178.00 177.98 1whm s LEU 10 N -7.43 4.08 0.20 1.56 2.96 -1.26 -5.03 118.68 113.77 1whm s LEU 10 Ca -0.01 0.69 -0.31 0.00 -0.22 0.00 0.00 54.13 54.29 1whm s LEU 10 Cb 0.12 -2.81 -0.10 0.00 0.50 0.00 0.00 46.19 43.90 1whm s LEU 10 CO 0.77 -0.32 1.50 -1.61 -1.32 0.00 0.00 176.35 175.37 1whm s GLU 11 N 2.27 4.24 0.61 1.98 0.41 -1.26 -4.94 118.70 122.01 1whm s GLU 11 Ca 0.25 2.33 -0.15 0.00 -0.41 0.00 0.00 54.97 57.00 1whm s GLU 11 Cb -0.16 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1whm s GLU 11 CO 0.09 -0.52 1.05 0.42 -0.49 0.00 0.00 175.26 175.81 1whm s ILE 12 N 0.60 3.95 -1.76 -1.63 -1.09 -1.26 -3.57 121.20 116.44 1whm s ILE 12 Ca 0.65 0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 59.92 1whm s ILE 12 Cb -0.43 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1whm s ILE 12 CO 0.37 -0.61 0.09 0.59 -1.23 0.00 0.00 174.94 174.15 1whm n ASN 13 N -2.22 -5.98 -4.79 3.58 4.13 -1.13 -4.97 115.26 103.88 1whm n ASN 13 Ca 0.08 -0.06 -0.28 0.00 1.68 0.00 0.00 54.58 56.00 1whm n ASN 13 Cb 0.53 -4.96 -0.06 0.00 -1.54 0.00 0.00 39.78 33.76 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 -2.15 4.36 -0.36 6.41 0.01 -1.23 -4.87 113.70 115.87 1whm s SER 14 Ca 0.05 -1.32 -0.09 0.00 1.31 0.00 0.00 55.95 55.89 1whm s SER 14 Cb -0.02 0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.33 1whm s SER 14 CO 0.06 -0.79 0.17 -0.13 0.41 0.00 0.00 173.24 172.95 1whm s ARG 15 N -3.99 2.77 0.04 12.44 1.81 -1.26 0.16 118.95 130.91 1whm s ARG 15 Ca 0.28 -1.10 0.06 0.00 -1.72 0.00 0.00 55.73 53.24 1whm s ARG 15 Cb 0.02 -3.63 -0.02 0.00 -0.45 0.00 0.00 34.95 30.86 1whm s ARG 15 CO 0.16 -0.68 -0.17 0.14 -0.68 0.00 0.00 175.30 174.07 1whm s VAL 16 N 1.50 1.36 0.55 3.52 -7.23 0.12 -4.59 120.40 115.65 1whm s VAL 16 Ca 0.01 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1whm s VAL 16 Cb -0.19 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.57 1whm s VAL 16 CO 0.05 0.09 0.78 -0.44 -0.31 0.00 0.00 175.10 175.27 1whm s SER 17 N -1.18 5.27 -0.01 4.85 0.01 -0.44 0.11 113.70 122.31 1whm s SER 17 Ca 0.04 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.32 1whm s SER 17 Cb -0.08 -0.87 -0.01 0.00 0.21 0.00 0.00 66.02 65.27 1whm s SER 17 CO 0.02 -1.15 -0.10 -0.76 0.41 0.00 0.00 173.24 171.66 1whm s LEU 18 N -4.77 1.98 -0.56 2.44 1.43 0.13 0.89 118.68 120.23 1whm s LEU 18 Ca 0.57 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 53.23 1whm s LEU 18 Cb -0.10 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.64 1whm s LEU 18 CO 0.38 0.11 1.10 -0.75 0.23 0.00 0.00 176.35 177.43 1whm s LYS 19 N -0.16 3.48 -0.28 1.70 2.20 0.58 -0.67 119.74 126.59 1whm s LYS 19 Ca 0.03 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 1whm s LYS 19 Cb -0.04 -4.01 0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1whm s LYS 19 CO -0.00 -1.58 -0.02 0.14 -0.36 0.00 0.00 175.35 173.53 1whm s VAL 20 N 4.57 2.95 0.00 4.02 -7.23 0.10 -4.98 120.40 119.82 1whm s VAL 20 Ca 0.39 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1whm s VAL 20 Cb -0.09 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1whm s VAL 20 CO 0.24 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1whm n GLY 21 N 4.64 1.22 1.01 2.32 0.00 -1.26 -1.12 105.19 112.00 1whm n GLY 21 Ca -0.14 0.44 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 1.86 -3.91 1.61 1.02 -1.26 -5.02 120.64 114.94 1whm n GLU 22 Ca 0.00 -3.32 -0.11 0.00 -0.02 0.00 0.00 57.16 53.72 1whm n GLU 22 Cb 0.00 -1.77 -0.00 0.00 -0.02 0.00 0.00 31.44 29.64 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 0.25 2.62 -1.32 -0.27 -5.19 115.64 108.36 1whm s THR 23 Ca 0.43 -1.20 0.09 0.00 -1.21 0.00 0.00 61.69 59.80 1whm s THR 23 Cb 0.39 -2.72 -0.05 0.00 -1.51 0.00 0.00 72.50 68.61 1whm s THR 23 CO -0.03 0.00 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.60 1whm s ILE 24 N -2.71 2.05 -0.09 5.08 -1.09 -1.26 0.02 121.20 123.19 1whm s ILE 24 Ca 0.20 -2.28 -0.03 0.00 -2.23 0.00 0.00 60.65 56.31 1whm s ILE 24 Cb -0.04 -2.23 0.05 0.00 -1.58 0.00 0.00 42.46 38.66 1whm s ILE 24 CO 0.14 -0.46 0.13 -1.61 -1.23 0.00 0.00 174.94 171.91 1whm s GLU 25 N -3.60 0.02 0.58 2.79 0.41 0.16 -4.89 118.70 114.17 1whm s GLU 25 Ca 0.27 0.39 -0.20 0.00 -0.41 0.00 0.00 54.97 55.02 1whm s GLU 25 Cb -0.02 -0.64 -0.04 0.00 -1.78 0.00 0.00 34.13 31.66 1whm s GLU 25 CO 0.11 -0.40 1.28 -1.12 -0.49 0.00 0.00 175.26 174.65 1whm s SER 26 N 2.24 5.13 0.05 -0.19 0.01 -1.26 0.20 113.70 119.87 1whm s SER 26 Ca 0.04 2.59 -0.02 0.00 1.31 0.00 0.00 55.95 59.87 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 -1.65 0.10 0.61 0.41 0.00 0.00 173.24 172.64 1whm n GLY 27 N 0.70 1.97 3.36 3.44 0.00 0.31 -4.14 105.19 110.82 1whm n GLY 27 Ca 0.13 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.85 2.11 0.24 2.61 2.01 0.12 0.16 115.64 120.04 1whm s THR 28 Ca 0.02 -1.73 -0.10 0.00 0.31 0.00 0.00 61.69 60.19 1whm s THR 28 Cb -0.01 -1.89 -0.07 0.00 0.01 0.00 0.00 72.50 70.54 1whm s THR 28 CO 0.02 0.02 0.57 -0.69 -0.69 0.00 0.00 174.62 173.85 1whm s VAL 29 N -1.17 4.90 0.00 3.82 1.01 0.12 0.99 120.40 130.08 1whm s VAL 29 Ca 0.13 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1whm s VAL 29 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1whm s VAL 29 CO 0.06 -0.09 0.00 2.30 0.00 0.00 0.00 175.10 177.37 1whm n ILE 30 N -0.17 0.00 -3.94 2.22 -5.35 -1.22 -2.82 119.36 108.07 1whm n ILE 30 Ca 0.01 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.23 1whm n ILE 30 Cb 0.52 -0.03 -0.17 0.00 -1.74 0.00 0.00 39.64 38.22 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 1.39 -0.30 4.28 5.36 -1.24 -4.90 117.98 121.26 1whm s PHE 31 Ca 0.00 -0.66 -0.03 0.00 -0.96 0.00 0.00 56.93 55.27 1whm s PHE 31 Cb 0.00 -1.17 0.10 0.00 -0.34 0.00 0.00 43.02 41.61 1whm s PHE 31 CO 0.00 -0.48 0.13 0.00 -1.46 0.00 0.00 175.22 173.41 1whm n ASP 33 N 5.12 -0.17 -4.93 0.00 2.03 -0.70 -4.74 116.55 113.16 1whm n ASP 33 Ca -0.04 -1.10 -0.25 0.00 0.52 0.00 0.00 54.79 53.92 1whm n ASP 33 Cb 0.42 0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 41.09 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 -2.64 5.05 0.20 5.18 -7.23 -1.26 -0.83 120.40 118.88 1whm s VAL 34 Ca 0.02 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.88 1whm s VAL 34 Cb -0.00 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 1whm s VAL 34 CO 0.01 -0.62 0.42 -0.76 -0.31 0.00 0.00 175.10 173.84 1whm s LEU 35 N -4.37 4.20 -0.26 1.32 1.43 -1.26 -4.88 118.68 114.86 1whm s LEU 35 Ca 0.42 0.54 -0.38 0.00 -1.03 0.00 0.00 54.13 53.69 1whm s LEU 35 Cb -0.10 -3.31 -0.14 0.00 0.03 0.00 0.00 46.19 42.68 1whm s LEU 35 CO 0.38 -0.04 1.90 -2.65 0.23 0.00 0.00 176.35 176.17 1whm n PRO 36 N -0.45 1.36 -2.23 1.29 -0.02 -1.26 -0.35 135.00 133.33 1whm n PRO 36 Ca -0.03 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 1whm n PRO 36 Cb 0.53 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 4.92 -0.04 1.32 -1.23 0.00 -1.26 -4.83 105.19 104.06 1whm n GLY 37 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.79 0.88 0.13 1.61 5.02 0.52 -4.82 118.16 118.71 1whm n LYS 38 Ca -0.21 -2.69 0.01 0.00 -2.02 0.00 0.00 58.31 53.40 1whm n LYS 38 Cb 0.65 -0.81 0.31 0.00 -0.02 0.00 0.00 35.03 35.16 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 1.19 0.15 -0.22 1.97 4.39 -1.82 -2.68 114.58 117.56 1whm h GLU 39 Ca -0.11 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1whm h GLU 39 Cb 1.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 1whm h GLU 39 CO 0.11 0.48 -0.05 0.77 -1.16 0.00 0.00 179.01 179.15 1whm h SER 40 N 0.13 0.31 -0.58 1.42 0.02 -1.94 -2.64 113.55 110.27 1whm h SER 40 Ca 0.02 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1whm h SER 40 Cb 0.67 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1whm h SER 40 CO 0.05 0.41 0.18 -0.07 -1.14 0.00 0.00 176.83 176.26 1whm h LEU 41 N 0.32 0.84 0.00 5.07 3.38 -1.86 -3.49 115.31 119.57 1whm h LEU 41 Ca 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1whm h LEU 41 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1whm h LEU 41 CO 0.01 0.82 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1whm n GLY 42 N -0.71 0.17 2.78 0.83 0.00 -1.00 -5.03 105.19 102.22 1whm n GLY 42 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.00 2.18 0.44 1.61 1.51 -1.26 -4.64 117.35 114.19 1whm s TYR 43 Ca 0.00 -2.20 -0.24 0.00 -1.01 0.00 0.00 57.07 53.62 1whm s TYR 43 Cb 0.00 -2.01 -0.08 0.00 -0.11 0.00 0.00 41.96 39.77 1whm s TYR 43 CO 0.00 -0.86 1.23 -0.06 -1.11 0.00 0.00 175.55 174.76 1whm s PHE 44 N 1.06 2.82 -0.03 2.71 0.08 -0.01 -2.91 117.98 121.70 1whm s PHE 44 Ca 0.13 1.48 -0.02 0.00 0.12 0.00 0.00 56.93 58.63 1whm s PHE 44 Cb -0.20 -3.53 0.01 0.00 -0.57 0.00 0.00 43.02 38.73 1whm s PHE 44 CO -0.14 -1.83 0.07 0.08 -0.10 0.00 0.00 175.22 173.30 1whm s VAL 45 N -1.40 -0.01 -0.41 -0.44 1.01 0.12 -1.72 120.40 117.57 1whm s VAL 45 Ca 0.61 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 1whm s VAL 45 Cb -0.33 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1whm s VAL 45 CO 0.42 0.01 0.29 -0.83 0.00 0.00 0.00 175.10 174.98 1whm s GLY 46 N 0.19 2.00 -0.24 4.51 0.00 0.60 -0.73 107.32 113.64 1whm s GLY 46 Ca -0.01 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 1whm s GLY 46 CO -0.01 0.91 0.23 0.14 0.00 0.00 0.00 173.10 174.38 1whm s VAL 47 N 1.66 5.30 -0.61 1.40 1.01 -0.67 -3.44 120.40 125.05 1whm s VAL 47 Ca 0.05 0.31 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1whm s VAL 47 Cb -0.19 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1whm s VAL 47 CO 0.09 0.29 0.92 -0.62 0.00 0.00 0.00 175.10 175.79 1whm s ASP 48 N 1.26 6.22 1.06 3.32 2.15 0.28 -1.18 116.67 129.77 1whm s ASP 48 Ca 0.10 -0.83 -0.13 0.00 0.43 0.00 0.00 52.55 52.13 1whm s ASP 48 Cb -0.14 -2.41 0.22 0.00 -0.30 0.00 0.00 42.92 40.29 1whm s ASP 48 CO 0.07 -1.33 1.07 -0.04 -0.17 0.00 0.00 175.17 174.78 1whm s MET 49 N 3.87 -0.05 -0.11 4.34 -1.94 -0.73 0.13 119.30 124.80 1whm s MET 49 Ca 0.23 0.58 -0.27 0.00 -1.71 0.00 0.00 55.69 54.52 1whm s MET 49 Cb -0.16 -1.68 -0.27 0.00 2.01 0.00 0.00 34.83 34.73 1whm s MET 49 CO 0.13 -3.07 0.82 -0.44 -0.01 0.00 0.00 175.02 172.44 1whm h ASP 50 N -2.14 0.11 -2.96 3.03 3.32 -1.91 -3.46 116.42 112.42 1whm h ASP 50 Ca -0.57 -0.97 -0.47 0.00 0.02 0.00 0.00 57.03 55.04 1whm h ASP 50 Cb 1.33 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 40.87 1whm h ASP 50 CO 0.56 1.07 -0.06 0.20 -1.72 0.00 0.00 179.24 179.29 1whm s ASN 51 N -6.38 5.98 -1.06 6.45 -0.87 -1.26 -4.98 114.94 112.83 1whm s ASN 51 Ca -0.18 0.45 -0.24 0.00 -1.57 0.00 0.00 52.86 51.33 1whm s ASN 51 Cb -0.02 -1.77 -0.08 0.00 -0.02 0.00 0.00 41.25 39.36 1whm s ASN 51 CO 0.72 -0.62 1.96 -2.16 -2.57 0.00 0.00 177.10 174.44 1whm s PRO 52 N -4.56 2.42 -0.03 -0.60 0.04 -1.26 -4.54 135.00 126.46 1whm s PRO 52 Ca 0.47 -0.75 0.25 0.00 0.04 0.00 0.00 61.00 61.01 1whm s PRO 52 Cb -0.10 -5.15 0.44 0.00 0.04 0.00 0.00 34.50 29.73 1whm s PRO 52 CO 0.39 -3.85 1.17 0.44 0.04 0.00 0.00 177.00 175.19 1whm n ILE 53 N 7.92 0.21 -3.13 0.56 -5.35 -1.26 -4.94 119.36 113.37 1whm n ILE 53 Ca 0.43 -1.27 -0.04 0.00 -0.27 0.00 0.00 62.75 61.60 1whm n ILE 53 Cb 0.47 0.97 0.01 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.33 2.16 1.73 3.28 0.00 -1.26 -4.79 105.19 106.66 1whm n GLY 54 Ca 0.07 -2.16 -0.00 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 -2.68 -0.29 -3.56 1.61 6.94 -1.10 -4.49 115.26 111.69 1whm n ASN 55 Ca 0.02 -1.23 -0.12 0.00 -0.02 0.00 0.00 54.58 53.24 1whm n ASN 55 Cb 0.11 0.15 -0.11 0.00 -2.36 0.00 0.00 39.78 37.57 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 0.02 -0.60 -0.43 -2.53 -0.00 -1.19 -4.96 118.94 109.25 1whm s TRP 56 Ca 0.02 0.97 0.02 0.00 -0.00 0.00 0.00 56.10 57.11 1whm s TRP 56 Cb 0.08 0.02 0.54 0.00 -0.00 0.00 0.00 33.47 34.11 1whm s TRP 56 CO -0.02 -0.52 1.85 -3.47 -0.00 0.00 0.00 176.95 174.79 1whm n ASP 57 N 5.36 4.48 -3.42 5.86 -0.08 -1.26 -3.11 116.55 124.38 1whm n ASP 57 Ca -0.06 -3.45 -0.17 0.00 -1.51 0.00 0.00 54.79 49.60 1whm n ASP 57 Cb 0.50 -0.84 0.08 0.00 2.34 0.00 0.00 41.12 43.19 1whm n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 58 N -0.87 -0.60 3.05 0.27 0.00 -1.25 -4.70 105.19 101.10 1whm n GLY 58 Ca 0.53 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 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 -5.19 0.20 -0.65 1.61 0.52 -1.26 0.83 118.95 115.02 1whm s ARG 59 Ca 0.14 0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 55.79 1whm s ARG 59 Cb -0.02 -0.08 0.17 0.00 0.52 0.00 0.00 34.95 35.53 1whm s ARG 59 CO 0.75 -0.14 0.47 0.12 0.02 0.00 0.00 175.30 176.51 1whm s PHE 60 N 1.04 3.42 -1.28 -0.53 5.36 0.19 -4.64 117.98 121.53 1whm s PHE 60 Ca -0.08 -2.71 0.00 0.00 -0.96 0.00 0.00 56.93 53.18 1whm s PHE 60 Cb -0.09 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 1whm s PHE 60 CO -0.07 -0.84 0.00 -3.47 -1.46 0.00 0.00 175.22 169.38 1whm n ASP 61 N 3.44 -4.44 0.00 6.13 2.03 -1.26 -2.92 116.55 119.53 1whm n ASP 61 Ca 0.09 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1whm n ASP 61 Cb 0.38 -3.52 0.00 0.00 -0.72 0.00 0.00 41.12 37.26 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 -1.06 2.78 3.66 0.27 0.00 -1.26 -5.07 105.19 104.51 1whm n GLY 62 Ca -0.16 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.25 4.15 0.01 1.61 0.11 -1.15 -4.98 120.40 119.91 1whm s VAL 63 Ca 0.00 1.39 -0.30 0.00 -2.93 0.00 0.00 61.98 60.13 1whm s VAL 63 Cb 0.00 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.90 1whm s VAL 63 CO 0.00 -0.12 1.35 -1.58 -3.33 0.00 0.00 175.10 171.42 1whm s GLN 64 N 3.59 4.31 -0.08 1.54 2.00 -1.26 0.55 119.66 130.30 1whm s GLN 64 Ca 0.58 1.92 0.03 0.00 -2.00 0.00 0.00 55.36 55.89 1whm s GLN 64 Cb -0.24 -3.51 -0.07 0.00 0.80 0.00 0.00 33.01 29.99 1whm s GLN 64 CO 0.17 -0.51 -0.04 1.28 -0.50 0.00 0.00 175.29 175.70 1whm n LEU 65 N 5.02 1.74 -3.65 3.68 4.77 0.24 -4.91 117.00 123.89 1whm n LEU 65 Ca 0.12 -0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 1whm n LEU 65 Cb 0.44 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 1whm n LEU 65 CO 0.58 0.46 -0.28 0.00 -1.33 0.00 0.00 177.39 176.82 1whm h SER 67 N 6.99 0.15 0.49 0.00 0.02 -1.86 -2.24 113.55 117.10 1whm h SER 67 Ca -0.01 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1whm h SER 67 Cb 0.95 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1whm h SER 67 CO 0.43 0.35 -0.53 -0.26 -1.14 0.00 0.00 176.83 175.67 1whm h PHE 68 N 0.15 0.06 -3.40 3.45 0.04 -1.93 -3.45 116.94 111.86 1whm h PHE 68 Ca 0.03 -0.02 -0.42 0.00 2.80 0.00 0.00 57.97 60.36 1whm h PHE 68 Cb 0.41 -0.01 0.20 0.00 2.20 0.00 0.00 35.95 38.74 1whm h PHE 68 CO 0.00 0.57 0.05 0.00 -0.60 0.00 0.00 178.31 178.33 1whm s ALA 69 N -3.83 -0.00 0.05 2.45 0.00 -0.84 -5.08 121.76 114.51 1whm s ALA 69 Ca -0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 1whm s ALA 69 Cb 0.13 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.23 1whm s ALA 69 CO 0.76 -3.75 0.42 0.00 0.00 0.00 0.00 175.76 173.19 1whm n VAL 71 N 0.41 3.92 -1.94 0.00 3.14 -1.18 -3.13 118.33 119.54 1whm n VAL 71 Ca -0.18 -2.86 -0.02 0.00 -2.96 0.00 0.00 64.34 58.31 1whm n VAL 71 Cb 0.60 -2.02 -0.01 0.00 -1.06 0.00 0.00 33.84 31.36 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 2.03 0.15 0.00 1.45 2.13 -1.26 -4.58 120.64 120.57 1whm n GLU 72 Ca 0.57 -0.41 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1whm n GLU 72 Cb 0.51 0.41 0.00 0.00 0.27 0.00 0.00 31.44 32.62 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 -0.17 0.00 -4.77 4.31 2.88 -1.24 -4.19 113.62 110.44 1whm n SER 73 Ca -0.10 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.06 1whm n SER 73 Cb 0.49 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1whm n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1whm s THR 74 N 0.00 2.81 -0.14 2.46 2.01 -1.18 -1.78 115.64 119.81 1whm s THR 74 Ca 0.00 0.64 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 1whm s THR 74 Cb 0.00 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.23 1whm s THR 74 CO 0.00 0.03 0.17 -0.63 -0.69 0.00 0.00 174.62 173.50 1whm s ILE 75 N -1.42 -0.26 -0.38 1.82 1.01 -0.33 -2.70 121.20 118.95 1whm s ILE 75 Ca 0.63 0.10 -0.28 0.00 0.00 0.00 0.00 60.65 61.10 1whm s ILE 75 Cb -0.33 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.68 1whm s ILE 75 CO 0.41 -0.05 1.05 -0.22 0.00 0.00 0.00 174.94 176.13 1whm s LEU 76 N 2.28 3.87 0.35 2.97 2.96 -1.25 -1.67 118.68 128.19 1whm s LEU 76 Ca 0.04 0.74 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1whm s LEU 76 Cb -0.14 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1whm s LEU 76 CO -0.09 -0.99 0.41 -0.76 -1.32 0.00 0.00 176.35 173.61 1whm s LEU 77 N 3.84 1.37 0.15 -0.68 1.43 0.09 -4.86 118.68 120.02 1whm s LEU 77 Ca 0.44 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.59 1whm s LEU 77 Cb -0.11 1.12 -0.07 0.00 0.03 0.00 0.00 46.19 47.17 1whm s LEU 77 CO 0.21 -1.24 1.02 -2.28 0.23 0.00 0.00 176.35 174.30 1whm s HIS 78 N -3.09 3.73 0.37 0.29 2.46 -1.26 0.16 115.29 117.94 1whm s HIS 78 Ca 0.35 1.71 0.15 0.00 0.47 0.00 0.00 55.06 57.75 1whm s HIS 78 Cb 0.00 -3.15 1.03 0.00 -0.13 0.00 0.00 32.58 30.33 1whm s HIS 78 CO 0.25 -0.15 1.75 0.97 -2.47 0.00 0.00 174.74 175.09 1whm h ILE 79 N 3.83 0.53 -0.18 0.89 6.09 -1.88 0.84 117.51 127.63 1whm h ILE 79 Ca -0.44 -0.16 0.05 0.00 -1.37 0.00 0.00 64.86 62.95 1whm h ILE 79 Cb 1.21 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 1whm h ILE 79 CO 0.72 0.08 0.15 -1.13 -3.07 0.00 0.00 178.15 174.90 1whm h ASN 80 N 0.46 0.00 1.34 2.19 -0.73 -1.91 0.13 115.58 117.06 1whm h ASN 80 Ca 0.61 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.67 1whm h ASN 80 Cb 1.42 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.99 1whm h ASN 80 CO -0.36 0.00 -0.52 0.44 -0.37 0.00 0.00 177.43 176.62 1whm h ASP 81 N 0.00 0.00 -4.07 1.15 3.32 0.34 -3.46 116.42 113.70 1whm h ASP 81 Ca 0.08 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.67 1whm h ASP 81 Cb 0.38 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.95 1whm h ASP 81 CO -0.00 0.52 0.38 -0.63 -1.72 0.00 0.00 179.24 177.79 1whm s ILE 82 N -3.05 3.90 -0.47 0.35 1.01 0.46 -0.31 121.20 123.10 1whm s ILE 82 Ca 0.03 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.89 1whm s ILE 82 Cb 0.08 -3.48 0.13 0.00 0.01 0.00 0.00 42.46 39.21 1whm s ILE 82 CO 0.74 -0.26 0.25 -0.63 0.00 0.00 0.00 174.94 175.04 1whm s ILE 83 N -2.03 1.86 0.00 2.92 -1.09 0.26 -4.89 121.20 118.22 1whm s ILE 83 Ca 0.66 -2.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.22 1whm s ILE 83 Cb -0.15 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1whm s ILE 83 CO 0.19 -0.86 0.00 -0.81 -1.23 0.00 0.00 174.94 172.23 1whm n PRO 84 N 3.37 0.05 -3.73 2.79 -0.04 -1.26 -1.33 135.00 134.84 1whm n PRO 84 Ca 0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 1whm n PRO 84 Cb 0.34 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.68 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 -2.41 2.28 -0.16 0.54 2.56 -1.26 -4.88 118.70 115.37 1whm s GLU 85 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 54.97 53.30 1whm s GLU 85 Cb 0.00 -3.61 0.08 0.00 2.00 0.00 0.00 34.13 32.60 1whm s GLU 85 CO 0.00 -0.98 0.28 -1.54 -0.56 0.00 0.00 175.26 172.46 1whm s SER 86 N 1.90 0.47 -0.24 -1.70 1.04 -1.26 -5.02 113.70 108.89 1whm s SER 86 Ca 0.04 0.44 0.10 0.00 0.48 0.00 0.00 55.95 57.02 1whm s SER 86 Cb -0.23 0.74 0.45 0.00 0.10 0.00 0.00 66.02 67.08 1whm s SER 86 CO -0.02 -0.26 1.29 -0.24 0.98 0.00 0.00 173.24 174.99 1whm n SER 87 N 5.35 2.06 0.00 7.02 2.88 -1.26 -5.06 113.62 124.62 1whm n SER 87 Ca -0.06 -3.87 0.00 0.00 -1.33 0.00 0.00 58.87 53.61 1whm n SER 87 Cb 0.50 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.11 3.15 0.00 0.46 0.00 -1.26 -5.10 105.19 101.34 1whm n GLY 88 Ca 0.24 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.16 0.37 -3.15 1.61 -0.02 -1.26 -5.07 135.00 127.64 1whm n PRO 89 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1whm n PRO 89 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 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 -2.05 -0.34 0.09 2.55 0.15 -1.26 -5.05 113.70 107.79 1whm s SER 90 Ca 0.00 0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.56 1whm s SER 90 Cb 0.00 1.26 -0.15 0.00 -1.71 0.00 0.00 66.02 65.41 1whm s SER 90 CO 0.00 -0.06 1.73 0.28 1.20 0.00 0.00 173.24 176.39 1whm h SER 91 N 7.71 -0.04 -0.01 5.45 0.02 -2.08 -3.57 113.55 121.04 1whm h SER 91 Ca -0.11 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1whm h SER 91 Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1whm h SER 91 CO -0.13 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.14