#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 6.97 -0.64 1.61 1.04 -1.26 -4.99 113.70 116.43 1whm s SER 2 Ca 0.00 2.10 -0.12 0.00 0.48 0.00 0.00 55.95 58.41 1whm s SER 2 Cb 0.00 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.71 1whm s SER 2 CO 0.00 -0.57 0.56 -0.55 0.98 0.00 0.00 173.24 173.66 1whm s SER 3 N 1.24 6.21 0.00 7.02 0.15 -1.26 -4.53 113.70 122.53 1whm s SER 3 Ca 0.61 -2.27 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1whm s SER 3 Cb -0.32 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1whm s SER 3 CO 0.28 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1whm n GLY 4 N 4.51 0.50 3.65 9.45 0.00 -1.26 -5.09 105.19 116.94 1whm n GLY 4 Ca 0.00 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 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 -4.00 5.58 0.12 1.61 0.15 -1.26 -4.71 113.70 111.20 1whm s SER 5 Ca 0.00 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.79 1whm s SER 5 Cb 0.00 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1whm s SER 5 CO 0.00 0.21 0.13 -0.94 1.20 0.00 0.00 173.24 173.84 1whm s SER 6 N 0.13 5.62 0.00 5.45 1.04 -1.26 -5.09 113.70 119.58 1whm s SER 6 Ca 0.04 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1whm s SER 6 Cb -0.12 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1whm s SER 6 CO 0.01 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1whm n GLY 7 N -0.01 -2.33 3.76 7.32 0.00 -1.26 -4.76 105.19 107.90 1whm n GLY 7 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.50 0.06 1.61 0.04 -1.26 -4.98 135.00 134.96 1whm s PRO 8 Ca 0.00 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 1whm s PRO 8 Cb 0.00 -3.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.23 1whm s PRO 8 CO 0.00 -0.01 1.48 -1.35 0.04 0.00 0.00 177.00 177.16 1whm h PRO 9 N 3.89 -0.99 -7.11 0.56 0.11 -1.93 -3.43 132.00 123.10 1whm h PRO 9 Ca -0.47 0.07 -0.56 0.00 0.11 0.00 0.00 66.00 65.15 1whm h PRO 9 Cb 1.22 0.22 0.16 0.00 0.11 0.00 0.00 31.00 32.71 1whm h PRO 9 CO 0.68 -0.66 0.51 -1.17 -0.21 0.00 0.00 178.00 177.15 1whm s LEU 10 N -9.13 3.57 0.67 2.35 2.96 -1.26 -5.01 118.68 112.83 1whm s LEU 10 Ca -0.16 2.61 -0.05 0.00 -0.22 0.00 0.00 54.13 56.31 1whm s LEU 10 Cb 0.03 -4.62 0.05 0.00 0.50 0.00 0.00 46.19 42.15 1whm s LEU 10 CO 0.51 -2.00 0.96 -1.61 -1.32 0.00 0.00 176.35 172.89 1whm s GLU 11 N -3.39 2.34 -0.11 1.98 0.41 -1.26 -5.01 118.70 113.66 1whm s GLU 11 Ca 0.82 -0.30 -0.06 0.00 -0.41 0.00 0.00 54.97 55.02 1whm s GLU 11 Cb -0.37 -2.23 -0.04 0.00 -1.78 0.00 0.00 34.13 29.71 1whm s GLU 11 CO 0.40 -1.09 0.11 0.42 -0.49 0.00 0.00 175.26 174.60 1whm s ILE 12 N -3.14 5.24 -1.74 -1.63 -1.09 -1.26 -4.34 121.20 113.24 1whm s ILE 12 Ca 0.59 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 1whm s ILE 12 Cb -0.11 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1whm s ILE 12 CO 0.44 0.62 0.17 0.59 -1.23 0.00 0.00 174.94 175.52 1whm n ASN 13 N 2.03 -6.02 -4.94 3.58 4.13 -1.17 -4.98 115.26 107.89 1whm n ASN 13 Ca -0.20 -0.09 -0.21 0.00 1.68 0.00 0.00 54.58 55.76 1whm n ASN 13 Cb 0.55 -4.97 -0.00 0.00 -1.54 0.00 0.00 39.78 33.81 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 5.09 -0.30 6.41 0.01 -1.26 -4.81 113.70 116.61 1whm s SER 14 Ca 0.08 -0.80 -0.10 0.00 1.31 0.00 0.00 55.95 56.44 1whm s SER 14 Cb -0.04 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1whm s SER 14 CO 0.10 -0.89 0.17 -0.13 0.41 0.00 0.00 173.24 172.91 1whm s ARG 15 N -4.30 3.63 -0.00 12.44 1.81 -1.26 -0.43 118.95 130.84 1whm s ARG 15 Ca 0.49 -0.53 -0.02 0.00 -1.72 0.00 0.00 55.73 53.95 1whm s ARG 15 Cb -0.05 -3.61 -0.00 0.00 -0.45 0.00 0.00 34.95 30.84 1whm s ARG 15 CO 0.30 -0.31 0.03 0.14 -0.68 0.00 0.00 175.30 174.78 1whm s VAL 16 N 1.69 0.05 0.57 3.52 -7.23 0.21 -3.79 120.40 115.42 1whm s VAL 16 Ca 0.06 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 1whm s VAL 16 Cb -0.16 -0.18 0.05 0.00 0.56 0.00 0.00 36.38 36.65 1whm s VAL 16 CO 0.08 -0.21 0.79 -0.44 -0.31 0.00 0.00 175.10 175.01 1whm s SER 17 N -0.63 5.13 0.01 4.85 0.01 0.23 0.11 113.70 123.40 1whm s SER 17 Ca -0.07 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1whm s SER 17 Cb -0.04 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 1whm s SER 17 CO -0.00 -1.25 -0.04 -0.76 0.41 0.00 0.00 173.24 171.60 1whm s LEU 18 N -4.77 2.10 -0.59 2.44 1.43 0.44 0.92 118.68 120.65 1whm s LEU 18 Ca 0.59 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.24 1whm s LEU 18 Cb -0.09 -0.11 0.07 0.00 0.03 0.00 0.00 46.19 46.09 1whm s LEU 18 CO 0.39 -0.07 0.83 -0.75 0.23 0.00 0.00 176.35 176.98 1whm s LYS 19 N -0.63 3.14 -0.28 1.70 2.20 -0.32 -0.81 119.74 124.74 1whm s LYS 19 Ca -0.04 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 1whm s LYS 19 Cb -0.05 -4.18 0.05 0.00 -1.51 0.00 0.00 37.83 32.15 1whm s LYS 19 CO -0.00 -1.57 -0.05 0.14 -0.36 0.00 0.00 175.35 173.50 1whm s VAL 20 N 3.45 2.63 0.00 4.02 -7.23 -0.34 -4.99 120.40 117.94 1whm s VAL 20 Ca 0.20 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1whm s VAL 20 Cb -0.18 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1whm s VAL 20 CO 0.11 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1whm n GLY 21 N 4.54 1.75 0.83 2.32 0.00 -1.26 -2.90 105.19 110.48 1whm n GLY 21 Ca -0.14 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 1.77 1.62 -3.88 1.61 -0.58 -1.26 -5.05 120.64 114.88 1whm n GLU 22 Ca 0.00 -3.26 -0.08 0.00 -0.42 0.00 0.00 57.16 53.40 1whm n GLU 22 Cb 0.00 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 1whm n GLU 22 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1whm s THR 23 N -3.06 0.00 0.30 2.62 -1.32 -1.14 -5.18 115.64 107.86 1whm s THR 23 Ca 0.39 -1.08 0.09 0.00 -1.21 0.00 0.00 61.69 59.87 1whm s THR 23 Cb 0.37 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.04 1whm s THR 23 CO -0.07 0.00 0.04 -0.63 -2.21 0.00 0.00 174.62 171.75 1whm s ILE 24 N -3.48 3.15 -0.15 5.08 -1.09 -1.26 -1.20 121.20 122.25 1whm s ILE 24 Ca 0.15 -1.87 -0.04 0.00 -2.23 0.00 0.00 60.65 56.65 1whm s ILE 24 Cb -0.05 -2.86 0.07 0.00 -1.58 0.00 0.00 42.46 38.04 1whm s ILE 24 CO 0.09 -0.29 0.22 -1.61 -1.23 0.00 0.00 174.94 172.13 1whm s GLU 25 N -3.73 0.14 0.48 2.79 0.41 0.01 -4.90 118.70 113.90 1whm s GLU 25 Ca 0.34 0.49 -0.24 0.00 -0.41 0.00 0.00 54.97 55.15 1whm s GLU 25 Cb -0.04 -0.55 -0.07 0.00 -1.78 0.00 0.00 34.13 31.69 1whm s GLU 25 CO 0.20 -0.44 1.32 -1.12 -0.49 0.00 0.00 175.26 174.74 1whm s SER 26 N 2.35 5.81 0.29 -0.19 0.01 -1.26 -0.42 113.70 120.30 1whm s SER 26 Ca 0.04 2.68 -0.09 0.00 1.31 0.00 0.00 55.95 59.89 1whm s SER 26 Cb -0.13 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.50 1whm s SER 26 CO -0.09 -1.19 0.55 0.61 0.41 0.00 0.00 173.24 173.52 1whm n GLY 27 N 0.63 1.45 3.53 3.44 0.00 0.30 -4.12 105.19 110.42 1whm n GLY 27 Ca 0.07 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.41 3.07 0.37 2.61 2.01 -0.06 0.65 115.64 121.89 1whm s THR 28 Ca 0.14 -1.50 -0.09 0.00 0.31 0.00 0.00 61.69 60.55 1whm s THR 28 Cb -0.03 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.97 1whm s THR 28 CO 0.10 0.04 0.71 -0.69 -0.69 0.00 0.00 174.62 174.09 1whm s VAL 29 N -1.33 4.85 0.00 3.82 1.01 0.43 0.10 120.40 129.29 1whm s VAL 29 Ca 0.21 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1whm s VAL 29 Cb -0.10 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1whm s VAL 29 CO 0.12 -0.47 0.00 2.30 0.00 0.00 0.00 175.10 177.05 1whm n ILE 30 N -1.21 0.00 -4.35 2.22 -5.35 -1.20 -3.03 119.36 106.44 1whm n ILE 30 Ca 0.01 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.24 1whm n ILE 30 Cb 0.54 -0.01 -0.17 0.00 -1.74 0.00 0.00 39.64 38.26 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 -1.29 1.49 -0.28 4.28 5.36 -1.23 -4.91 117.98 121.40 1whm s PHE 31 Ca 0.00 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.30 1whm s PHE 31 Cb 0.00 -1.14 0.10 0.00 -0.34 0.00 0.00 43.02 41.64 1whm s PHE 31 CO 0.00 -0.37 0.14 0.00 -1.46 0.00 0.00 175.22 173.53 1whm n ASP 33 N 5.26 0.00 -4.96 0.00 2.03 -0.05 -4.83 116.55 114.01 1whm n ASP 33 Ca -0.06 -0.94 -0.21 0.00 0.52 0.00 0.00 54.79 54.11 1whm n ASP 33 Cb 0.43 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.90 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 -2.38 2.08 0.25 5.18 -7.23 -1.26 -0.01 120.40 117.03 1whm s VAL 34 Ca 0.00 -0.92 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 1whm s VAL 34 Cb 0.00 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1whm s VAL 34 CO 0.00 0.00 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.92 1whm s LEU 35 N -4.79 2.53 0.02 1.32 1.43 -1.26 -4.87 118.68 113.06 1whm s LEU 35 Ca 0.63 -1.10 -0.36 0.00 -1.03 0.00 0.00 54.13 52.28 1whm s LEU 35 Cb -0.05 -0.70 -0.14 0.00 0.03 0.00 0.00 46.19 45.32 1whm s LEU 35 CO 0.41 -0.23 1.60 -2.65 0.23 0.00 0.00 176.35 175.71 1whm n PRO 36 N -0.50 1.73 -2.13 1.29 -0.02 -1.26 -0.73 135.00 133.38 1whm n PRO 36 Ca -0.06 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.85 1whm n PRO 36 Cb 0.62 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.50 0.25 1.38 -1.23 0.00 -1.26 -4.82 105.19 103.00 1whm n GLY 37 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.74 0.07 0.09 1.61 5.02 0.09 -4.89 118.16 117.41 1whm n LYS 38 Ca -0.22 -1.67 -0.06 0.00 -2.02 0.00 0.00 58.31 54.34 1whm n LYS 38 Cb 0.66 0.14 -0.00 0.00 -0.02 0.00 0.00 35.03 35.81 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 0.68 0.09 0.00 1.97 5.08 -1.85 -3.20 114.58 117.35 1whm h GLU 39 Ca -0.35 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 57.76 1whm h GLU 39 Cb 1.69 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1whm h GLU 39 CO -0.04 0.89 -0.70 0.77 -1.00 0.00 0.00 179.01 178.93 1whm h SER 40 N 0.05 0.00 -0.98 1.42 0.02 -1.92 -3.27 113.55 108.86 1whm h SER 40 Ca -0.03 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1whm h SER 40 Cb 1.50 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.97 1whm h SER 40 CO 0.12 0.70 0.63 -0.07 -1.14 0.00 0.00 176.83 177.07 1whm h LEU 41 N 0.00 0.98 0.00 5.07 3.38 -1.91 -3.48 115.31 119.35 1whm h LEU 41 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1whm h LEU 41 Cb 1.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1whm h LEU 41 CO 0.09 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1whm n GLY 42 N -1.37 -0.38 2.54 0.83 0.00 -1.24 -5.07 105.19 100.51 1whm n GLY 42 Ca 0.16 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.55 0.35 0.65 1.61 1.51 -1.26 -4.68 117.35 113.97 1whm s TYR 43 Ca 0.00 -1.00 -0.16 0.00 -1.01 0.00 0.00 57.07 54.90 1whm s TYR 43 Cb 0.00 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1whm s TYR 43 CO 0.00 -0.84 1.14 -0.06 -1.11 0.00 0.00 175.55 174.69 1whm s PHE 44 N 1.87 2.47 -0.15 2.71 0.08 0.98 -3.03 117.98 122.92 1whm s PHE 44 Ca 0.11 1.56 -0.13 0.00 0.12 0.00 0.00 56.93 58.59 1whm s PHE 44 Cb -0.17 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1whm s PHE 44 CO -0.27 -1.94 0.39 0.08 -0.10 0.00 0.00 175.22 173.38 1whm s VAL 45 N -2.10 -0.00 -0.28 -0.44 1.01 -0.10 -0.87 120.40 117.62 1whm s VAL 45 Ca 0.71 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 1whm s VAL 45 Cb -0.24 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1whm s VAL 45 CO 0.39 0.01 0.13 -0.83 0.00 0.00 0.00 175.10 174.80 1whm s GLY 46 N 0.38 1.84 -0.22 4.51 0.00 0.35 -0.47 107.32 113.72 1whm s GLY 46 Ca -0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 43.39 1whm s GLY 46 CO -0.01 0.63 0.07 0.14 0.00 0.00 0.00 173.10 173.93 1whm s VAL 47 N 1.64 4.57 -0.68 1.40 1.01 -0.69 -3.27 120.40 124.38 1whm s VAL 47 Ca 0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1whm s VAL 47 Cb -0.16 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1whm s VAL 47 CO 0.06 0.39 0.99 -0.62 0.00 0.00 0.00 175.10 175.93 1whm s ASP 48 N 1.02 6.19 0.78 3.32 2.15 0.28 -0.82 116.67 129.59 1whm s ASP 48 Ca 0.04 -1.01 -0.11 0.00 0.43 0.00 0.00 52.55 51.90 1whm s ASP 48 Cb -0.14 -2.43 0.06 0.00 -0.30 0.00 0.00 42.92 40.11 1whm s ASP 48 CO 0.03 -1.45 1.10 -0.04 -0.17 0.00 0.00 175.17 174.64 1whm s MET 49 N 4.11 2.19 0.14 4.34 -1.94 -0.63 -0.88 119.30 126.63 1whm s MET 49 Ca 0.23 1.23 0.03 0.00 -1.71 0.00 0.00 55.69 55.47 1whm s MET 49 Cb -0.16 -1.88 -0.08 0.00 2.01 0.00 0.00 34.83 34.72 1whm s MET 49 CO 0.09 -1.70 1.33 0.38 -0.01 0.00 0.00 175.02 175.11 1whm h ASP 50 N -1.08 0.22 -2.85 3.03 2.03 -1.92 -3.44 116.42 112.41 1whm h ASP 50 Ca -0.44 -0.19 -0.60 0.00 -0.73 0.00 0.00 57.03 55.07 1whm h ASP 50 Cb 1.24 -0.07 -0.05 0.00 -0.83 0.00 0.00 39.33 39.61 1whm h ASP 50 CO 0.51 1.05 -0.53 0.20 -1.03 0.00 0.00 179.24 179.44 1whm s ASN 51 N -6.91 6.01 -0.99 4.15 0.01 -1.26 -5.02 114.94 110.92 1whm s ASN 51 Ca -0.02 0.11 -0.24 0.00 -0.71 0.00 0.00 52.86 52.00 1whm s ASN 51 Cb 0.10 -1.74 -0.06 0.00 0.41 0.00 0.00 41.25 39.96 1whm s ASN 51 CO 0.83 0.12 1.94 -2.16 -1.51 0.00 0.00 177.10 176.33 1whm s PRO 52 N -2.76 2.54 0.00 -0.60 0.04 -1.26 -4.51 135.00 128.45 1whm s PRO 52 Ca 0.33 -0.56 0.13 0.00 0.04 0.00 0.00 61.00 60.94 1whm s PRO 52 Cb -0.12 -5.12 0.21 0.00 0.04 0.00 0.00 34.50 29.52 1whm s PRO 52 CO 0.26 -3.56 1.04 0.44 0.04 0.00 0.00 177.00 175.22 1whm n ILE 53 N 7.85 0.00 -1.57 0.56 -5.35 0.93 -4.98 119.36 116.79 1whm n ILE 53 Ca 0.42 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1whm n ILE 53 Cb 0.47 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 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 0.55 1.44 3.28 0.00 0.29 -4.91 105.19 106.10 1whm n GLY 54 Ca -0.02 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.58 -0.33 -3.46 1.61 6.94 -1.24 -4.57 115.26 112.64 1whm n ASN 55 Ca 0.00 -1.06 -0.06 0.00 -0.02 0.00 0.00 54.58 53.44 1whm n ASN 55 Cb 0.00 0.14 -0.07 0.00 -2.36 0.00 0.00 39.78 37.49 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 -1.01 0.13 -2.53 -0.00 -1.18 -4.94 118.94 109.43 1whm s TRP 56 Ca 0.02 1.40 0.05 0.00 -0.00 0.00 0.00 56.10 57.57 1whm s TRP 56 Cb 0.08 0.31 -0.17 0.00 -0.00 0.00 0.00 33.47 33.69 1whm s TRP 56 CO -0.02 -0.66 1.29 0.22 -0.00 0.00 0.00 176.95 177.78 1whm h ASP 57 N 8.13 0.10 0.00 5.86 3.58 -1.84 -2.93 116.42 129.31 1whm h ASP 57 Ca -0.19 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1whm h ASP 57 Cb 1.13 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1whm h ASP 57 CO 0.20 1.04 0.00 0.61 -2.88 0.00 0.00 179.24 178.21 1whm n GLY 58 N 1.26 0.53 3.31 -0.78 0.00 -1.26 -2.67 105.19 105.58 1whm n GLY 58 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 1.13 -0.43 1.61 0.52 -1.26 -2.15 118.95 118.38 1whm s ARG 59 Ca 0.00 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.00 1whm s ARG 59 Cb 0.00 0.36 0.14 0.00 0.52 0.00 0.00 34.95 35.96 1whm s ARG 59 CO 0.00 -0.40 0.23 0.12 0.02 0.00 0.00 175.30 175.27 1whm s PHE 60 N -3.99 1.85 -1.57 -0.53 5.36 0.15 -4.81 117.98 114.44 1whm s PHE 60 Ca 0.19 -2.34 -0.00 0.00 -0.96 0.00 0.00 56.93 53.82 1whm s PHE 60 Cb 0.04 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1whm s PHE 60 CO 0.01 -0.79 0.01 -0.25 -1.46 0.00 0.00 175.22 172.74 1whm n ASP 61 N 3.62 -5.35 0.00 6.13 9.92 -1.26 -3.16 116.55 126.45 1whm n ASP 61 Ca 0.09 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1whm n ASP 61 Cb 0.35 -4.40 0.00 0.00 -0.64 0.00 0.00 41.12 36.42 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whm n GLY 62 N -1.03 3.15 3.73 0.44 0.00 -1.26 -5.09 105.19 105.13 1whm n GLY 62 Ca -0.22 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1whm n GLY 62 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1whm n VAL 63 N 0.00 3.29 -3.74 1.61 3.14 -1.19 -4.95 118.33 116.49 1whm n VAL 63 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1whm n VAL 63 Cb 0.00 -1.67 -0.07 0.00 -1.06 0.00 0.00 33.84 31.04 1whm n VAL 63 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1whm s GLN 64 N -2.62 4.01 0.00 1.45 2.00 -1.26 0.33 119.66 123.56 1whm s GLN 64 Ca 0.67 -0.15 0.00 0.00 -2.00 0.00 0.00 55.36 53.88 1whm s GLN 64 Cb -0.44 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.01 1whm s GLN 64 CO 0.53 0.42 0.00 1.28 -0.50 0.00 0.00 175.29 177.02 1whm n LEU 65 N 3.12 1.22 -4.15 3.68 4.77 -0.91 -4.96 117.00 119.76 1whm n LEU 65 Ca -0.16 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.43 1whm n LEU 65 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1whm n LEU 65 CO 0.36 0.14 -0.01 0.00 -1.33 0.00 0.00 177.39 176.55 1whm h SER 67 N 7.79 0.26 0.33 0.00 4.64 -1.86 -3.02 113.55 121.69 1whm h SER 67 Ca -0.09 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 60.97 1whm h SER 67 Cb 1.02 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1whm h SER 67 CO 0.75 0.78 -0.47 -0.26 -0.87 0.00 0.00 176.83 176.76 1whm h PHE 68 N 0.17 0.20 -4.19 4.77 0.04 -1.91 -3.45 116.94 112.58 1whm h PHE 68 Ca -0.00 -0.06 -0.54 0.00 2.80 0.00 0.00 57.97 60.17 1whm h PHE 68 Cb 1.06 -0.04 0.17 0.00 2.20 0.00 0.00 35.95 39.35 1whm h PHE 68 CO 0.02 0.61 0.37 0.00 -0.60 0.00 0.00 178.31 178.72 1whm s ALA 69 N -4.00 1.95 -0.13 2.45 0.00 -1.14 -5.04 121.76 115.85 1whm s ALA 69 Ca -0.04 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1whm s ALA 69 Cb 0.13 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1whm s ALA 69 CO 0.77 -2.14 0.34 0.00 0.00 0.00 0.00 175.76 174.72 1whm n VAL 71 N 3.20 1.58 0.00 0.00 3.14 -1.11 -2.78 118.33 122.37 1whm n VAL 71 Ca -0.15 -1.50 0.00 0.00 -2.96 0.00 0.00 64.34 59.72 1whm n VAL 71 Cb 0.57 -2.22 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 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 7.64 0.00 0.00 1.45 4.07 -1.26 -4.75 120.64 127.79 1whm n GLU 72 Ca 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 1whm n GLU 72 Cb 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.81 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1whm n SER 73 N -1.27 1.53 -4.69 4.31 7.64 -1.15 0.11 113.62 120.10 1whm n SER 73 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1whm n SER 73 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.83 2.94 -0.17 0.44 2.01 -1.12 -1.60 115.64 116.30 1whm s THR 74 Ca 0.00 0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 1whm s THR 74 Cb 0.00 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 69.30 1whm s THR 74 CO 0.00 -0.00 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.26 1whm s ILE 75 N 2.67 1.00 -0.37 1.82 1.01 0.00 -3.08 121.20 124.25 1whm s ILE 75 Ca 0.75 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 60.51 1whm s ILE 75 Cb -0.41 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1whm s ILE 75 CO 0.33 0.07 1.04 -0.22 0.00 0.00 0.00 174.94 176.16 1whm s LEU 76 N 1.67 3.88 0.17 2.97 2.96 -1.25 -1.71 118.68 127.36 1whm s LEU 76 Ca 0.00 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.57 1whm s LEU 76 Cb -0.16 -3.46 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1whm s LEU 76 CO -0.07 -0.97 0.31 -0.76 -1.32 0.00 0.00 176.35 173.54 1whm s LEU 77 N 3.80 0.85 0.30 -0.68 1.43 0.38 -4.88 118.68 119.89 1whm s LEU 77 Ca 0.44 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1whm s LEU 77 Cb -0.11 1.31 -0.11 0.00 0.03 0.00 0.00 46.19 47.32 1whm s LEU 77 CO 0.20 -0.91 1.45 -2.28 0.23 0.00 0.00 176.35 175.04 1whm s HIS 78 N -3.95 2.89 0.39 0.29 2.46 -1.26 -0.92 115.29 115.18 1whm s HIS 78 Ca 0.16 1.09 0.18 0.00 0.47 0.00 0.00 55.06 56.96 1whm s HIS 78 Cb 0.03 -3.87 1.09 0.00 -0.13 0.00 0.00 32.58 29.69 1whm s HIS 78 CO -0.01 -2.72 1.76 0.97 -2.47 0.00 0.00 174.74 172.27 1whm h ILE 79 N 3.30 0.52 -0.14 0.89 2.10 -1.88 0.85 117.51 123.15 1whm h ILE 79 Ca -0.48 -0.14 0.04 0.00 1.08 0.00 0.00 64.86 65.36 1whm h ILE 79 Cb 1.22 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1whm h ILE 79 CO 0.73 0.07 0.11 0.78 -1.08 0.00 0.00 178.15 178.76 1whm h ASN 80 N 0.41 0.00 1.58 2.19 2.35 -1.89 0.14 115.58 120.36 1whm h ASN 80 Ca 0.60 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.31 1whm h ASN 80 Cb 1.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.86 1whm h ASN 80 CO -0.32 0.00 -0.23 0.44 -1.65 0.00 0.00 177.43 175.68 1whm h ASP 81 N 0.00 0.00 -4.15 5.81 5.19 0.38 -3.45 116.42 120.21 1whm h ASP 81 Ca 0.07 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.00 1whm h ASP 81 Cb 0.29 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.82 1whm h ASP 81 CO -0.00 0.23 0.37 -0.63 -3.12 0.00 0.00 179.24 176.09 1whm s ILE 82 N -3.21 4.13 -0.37 0.35 1.01 0.49 -1.17 121.20 122.42 1whm s ILE 82 Ca 0.04 1.13 0.01 0.00 0.00 0.00 0.00 60.65 61.83 1whm s ILE 82 Cb 0.07 -3.54 0.14 0.00 0.01 0.00 0.00 42.46 39.14 1whm s ILE 82 CO 0.68 -0.47 0.22 -0.63 0.00 0.00 0.00 174.94 174.74 1whm s ILE 83 N -2.36 0.44 1.12 2.92 1.09 0.26 -4.91 121.20 119.77 1whm s ILE 83 Ca 0.63 -1.93 -0.14 0.00 -1.10 0.00 0.00 60.65 58.11 1whm s ILE 83 Cb -0.13 -1.32 0.25 0.00 -1.06 0.00 0.00 42.46 40.20 1whm s ILE 83 CO 0.27 -0.97 1.06 -2.84 -0.10 0.00 0.00 174.94 172.36 1whm s PRO 84 N 0.88 -0.59 -0.80 2.79 0.02 -1.26 -0.61 135.00 135.43 1whm s PRO 84 Ca 0.18 0.47 -0.08 0.00 0.02 0.00 0.00 61.00 61.60 1whm s PRO 84 Cb -0.23 -1.62 0.21 0.00 0.02 0.00 0.00 34.50 32.88 1whm s PRO 84 CO 0.00 -3.41 0.70 -2.00 -0.33 0.00 0.00 177.00 171.96 1whm s GLU 85 N -4.88 3.26 0.28 5.54 2.12 -1.25 -4.80 118.70 118.98 1whm s GLU 85 Ca 0.67 -2.71 0.03 0.00 0.36 0.00 0.00 54.97 53.32 1whm s GLU 85 Cb -0.19 -4.13 -0.04 0.00 0.26 0.00 0.00 34.13 30.04 1whm s GLU 85 CO 0.60 -1.24 0.18 -1.12 -0.54 0.00 0.00 175.26 173.14 1whm s SER 86 N 1.17 1.16 -0.12 -1.70 0.01 -1.26 -5.08 113.70 107.89 1whm s SER 86 Ca 0.21 -1.55 0.04 0.00 1.31 0.00 0.00 55.95 55.96 1whm s SER 86 Cb -0.13 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.66 1whm s SER 86 CO -0.07 -0.91 0.91 -0.24 0.41 0.00 0.00 173.24 173.34 1whm n SER 87 N -0.88 -0.78 0.00 2.44 2.88 -1.26 -5.08 113.62 110.94 1whm n SER 87 Ca 0.03 -1.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1whm n SER 87 Cb 0.65 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.53 -0.09 3.77 0.46 0.00 -1.26 -5.15 105.19 102.39 1whm n GLY 88 Ca -0.14 0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 1whm n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whm s PRO 89 N 0.00 4.11 0.00 1.61 0.04 -1.26 -4.95 135.00 134.55 1whm s PRO 89 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1whm s PRO 89 Cb 0.00 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1whm s PRO 89 CO 0.00 -0.33 0.00 0.45 0.04 0.00 0.00 177.00 177.16 1whm n SER 90 N 0.28 0.10 -4.54 6.66 2.88 -1.26 -5.00 113.62 112.73 1whm n SER 90 Ca 0.03 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.14 1whm n SER 90 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 1whm n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whm s SER 91 N -4.94 6.40 0.00 -3.46 0.01 -1.26 -5.12 113.70 105.33 1whm s SER 91 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1whm s SER 91 Cb 0.00 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1whm s SER 91 CO 0.00 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.01