#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk n SER 2 N 0.00 0.11 -2.80 1.61 3.41 -1.26 -4.82 113.62 109.87 1whk n SER 2 Ca 0.00 -1.12 -0.07 0.00 -0.26 0.00 0.00 58.87 57.41 1whk n SER 2 Cb 0.00 -0.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1whk n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whk n SER 3 N -3.05 -7.79 -0.83 4.04 7.64 -1.26 -4.85 113.62 107.51 1whk n SER 3 Ca 0.03 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.57 1whk n SER 3 Cb 0.09 -5.27 -0.04 0.00 -1.01 0.00 0.00 64.21 57.97 1whk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whk n GLY 4 N -0.26 -2.56 1.26 0.23 0.00 -1.26 -4.96 105.19 97.63 1whk n GLY 4 Ca 0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1whk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whk n SER 5 N -3.49 -0.77 0.08 1.61 3.41 -1.26 -5.01 113.62 108.19 1whk n SER 5 Ca -0.03 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 1whk n SER 5 Cb 0.39 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1whk n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whk n SER 6 N -0.30 0.06 0.00 4.04 7.64 -1.26 -4.98 113.62 118.81 1whk n SER 6 Ca -0.17 0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1whk n SER 6 Cb 0.61 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1whk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whk n GLY 7 N 1.89 -0.30 1.77 0.23 0.00 -1.26 -4.77 105.19 102.75 1whk n GLY 7 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1whk n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whk n GLU 8 N 0.00 2.49 -0.64 1.61 -0.58 -1.26 -4.89 120.64 117.38 1whk n GLU 8 Ca 0.00 -3.42 0.00 0.00 -0.42 0.00 0.00 57.16 53.32 1whk n GLU 8 Cb 0.00 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1whk n GLY 9 N -0.99 0.85 3.51 0.62 0.00 -1.26 -5.13 105.19 102.79 1whk n GLY 9 Ca 0.46 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1whk n GLY 9 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1whk s THR 10 N -2.43 0.01 0.20 2.61 -1.32 -1.26 -5.14 115.64 108.31 1whk s THR 10 Ca 0.00 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 59.85 1whk s THR 10 Cb 0.00 -1.27 -0.09 0.00 -1.51 0.00 0.00 72.50 69.63 1whk s THR 10 CO 0.00 -0.04 1.31 -0.69 -2.21 0.00 0.00 174.62 173.00 1whk s VAL 11 N -3.80 3.18 0.80 5.08 1.01 -1.26 -4.64 120.40 120.76 1whk s VAL 11 Ca 0.04 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1whk s VAL 11 Cb -0.02 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1whk s VAL 11 CO -0.08 0.15 1.17 -0.75 0.00 0.00 0.00 175.10 175.59 1whk s LYS 12 N -0.16 1.76 0.65 2.72 2.20 -1.26 -5.02 119.74 120.63 1whk s LYS 12 Ca 0.57 1.63 -0.06 0.00 -0.36 0.00 0.00 55.97 57.74 1whk s LYS 12 Cb -0.37 -1.80 0.03 0.00 -1.51 0.00 0.00 37.83 34.18 1whk s LYS 12 CO 0.39 -2.09 0.96 -0.51 -0.36 0.00 0.00 175.35 173.73 1whk s LEU 13 N -5.73 3.04 0.00 5.43 1.43 -1.26 -5.11 118.68 116.48 1whk s LEU 13 Ca 0.70 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1whk s LEU 13 Cb -0.26 -3.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1whk s LEU 13 CO 0.51 -1.31 0.09 0.00 0.23 0.00 0.00 176.35 175.87 1whk n HIS 14 N -2.75 -0.30 -2.99 0.29 1.44 -1.26 -5.12 115.22 104.54 1whk n HIS 14 Ca 0.06 -0.83 -0.40 0.00 -2.01 0.00 0.00 57.72 54.54 1whk n HIS 14 Cb 0.59 0.10 -0.05 0.00 0.12 0.00 0.00 29.99 30.75 1whk n HIS 14 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1whk s GLU 15 N -2.39 4.47 0.00 -1.40 2.02 -1.26 -4.06 118.70 116.08 1whk s GLU 15 Ca 0.12 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.12 1whk s GLU 15 Cb 0.00 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1whk s GLU 15 CO 0.08 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.91 1whk n GLY 16 N 2.82 0.83 3.81 -1.39 0.00 -0.68 -5.05 105.19 105.52 1whk n GLY 16 Ca -0.01 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1whk n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whk s SER 17 N -2.81 4.26 0.12 1.61 1.04 -1.25 -4.92 113.70 111.76 1whk s SER 17 Ca 0.00 -1.61 0.09 0.00 0.48 0.00 0.00 55.95 54.91 1whk s SER 17 Cb 0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1whk s SER 17 CO 0.00 -0.96 -0.21 -1.10 0.98 0.00 0.00 173.24 171.96 1whk s GLN 18 N -3.99 1.19 0.37 4.02 -1.52 -1.26 -1.15 119.66 117.32 1whk s GLN 18 Ca 0.08 -1.25 -0.11 0.00 -1.95 0.00 0.00 55.36 52.13 1whk s GLN 18 Cb -0.00 -1.41 0.04 0.00 -0.22 0.00 0.00 33.01 31.42 1whk s GLN 18 CO 0.05 0.32 0.68 0.14 -0.25 0.00 0.00 175.29 176.23 1whk s VAL 19 N -1.43 0.00 -0.03 1.09 -7.23 -0.52 -4.56 120.40 107.72 1whk s VAL 19 Ca 0.10 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1whk s VAL 19 Cb -0.09 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 34.09 1whk s VAL 19 CO 0.05 0.00 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.58 1whk s LEU 20 N -3.12 1.51 0.40 1.32 2.96 0.17 -1.10 118.68 120.81 1whk s LEU 20 Ca 0.20 -0.10 -0.24 0.00 -0.22 0.00 0.00 54.13 53.77 1whk s LEU 20 Cb -0.04 -0.37 -0.09 0.00 0.50 0.00 0.00 46.19 46.20 1whk s LEU 20 CO 0.14 -0.02 1.09 -0.76 -1.32 0.00 0.00 176.35 175.48 1whk s LEU 21 N 0.61 4.16 -0.45 -0.68 1.43 -1.04 -1.95 118.68 120.76 1whk s LEU 21 Ca -0.08 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1whk s LEU 21 Cb -0.11 -4.13 0.61 0.00 0.03 0.00 0.00 46.19 42.59 1whk s LEU 21 CO -0.00 -0.55 1.89 1.07 0.23 0.00 0.00 176.35 178.98 1whk n THR 22 N -0.01 3.14 0.00 5.49 5.66 -1.02 -3.27 114.28 124.27 1whk n THR 22 Ca 0.05 -1.93 0.00 0.00 -3.05 0.00 0.00 64.05 59.11 1whk n THR 22 Cb 0.49 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1whk n SER 23 N -1.02 0.00 0.10 1.09 7.64 -1.26 -4.90 113.62 115.26 1whk n SER 23 Ca 0.57 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.53 1whk n SER 23 Cb 1.50 0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 64.83 1whk n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1whk h SER 24 N 0.00 0.00 -3.26 6.43 0.02 -1.99 -3.48 113.55 111.27 1whk h SER 24 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1whk h SER 24 Cb 0.00 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.59 1whk h SER 24 CO 0.00 0.18 -0.42 0.59 -1.14 0.00 0.00 176.83 176.04 1whk n ASN 25 N -2.80 -4.70 -4.10 3.07 4.13 -1.20 -5.02 115.26 104.64 1whk n ASN 25 Ca -0.02 -0.21 -0.24 0.00 1.68 0.00 0.00 54.58 55.79 1whk n ASN 25 Cb 0.63 -3.55 -0.16 0.00 -1.54 0.00 0.00 39.78 35.17 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1whk s GLU 26 N -5.36 1.44 0.69 3.52 0.41 -1.26 -4.92 118.70 113.22 1whk s GLU 26 Ca 0.22 -0.52 -0.13 0.00 -0.41 0.00 0.00 54.97 54.13 1whk s GLU 26 Cb -0.10 -1.30 0.01 0.00 -1.78 0.00 0.00 34.13 30.96 1whk s GLU 26 CO 0.27 0.23 1.09 -1.64 -0.49 0.00 0.00 175.26 174.72 1whk s MET 27 N -0.02 2.75 0.23 1.61 -1.94 -1.26 -2.49 119.30 118.18 1whk s MET 27 Ca -0.01 1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 55.05 1whk s MET 27 Cb -0.09 -1.96 -0.00 0.00 2.01 0.00 0.00 34.83 34.79 1whk s MET 27 CO 0.01 -1.27 0.46 0.00 -0.01 0.00 0.00 175.02 174.21 1whk s ALA 28 N -2.65 -0.28 -0.05 3.03 0.00 -0.26 -4.82 121.76 116.72 1whk s ALA 28 Ca 0.63 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1whk s ALA 28 Cb -0.18 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1whk s ALA 28 CO 0.47 -0.83 -0.09 0.99 0.00 0.00 0.00 175.76 176.30 1whk s THR 29 N -4.00 3.50 -0.15 0.00 2.01 -1.22 -1.44 115.64 114.34 1whk s THR 29 Ca 0.21 -0.60 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 1whk s THR 29 Cb -0.00 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 1whk s THR 29 CO 0.07 0.56 0.93 -0.69 -0.69 0.00 0.00 174.62 174.81 1whk s VAL 30 N -0.82 4.81 -0.04 3.82 1.01 -0.30 -1.86 120.40 127.02 1whk s VAL 30 Ca 0.13 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1whk s VAL 30 Cb -0.11 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1whk s VAL 30 CO 0.02 -0.01 -0.04 0.54 0.00 0.00 0.00 175.10 175.61 1whk n ARG 31 N 5.29 0.11 -4.28 2.72 5.12 -1.17 -1.69 116.66 122.75 1whk n ARG 31 Ca 0.07 0.03 -0.23 0.00 -1.93 0.00 0.00 57.85 55.79 1whk n ARG 31 Cb 0.48 -1.07 -0.12 0.00 -1.16 0.00 0.00 32.46 30.59 1whk n ARG 31 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1whk s TYR 32 N -2.08 1.73 -0.29 -1.55 5.04 -1.23 -4.87 117.35 114.10 1whk s TYR 32 Ca -0.06 -0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 54.13 1whk s TYR 32 Cb 0.01 -0.93 0.14 0.00 0.35 0.00 0.00 41.96 41.53 1whk s TYR 32 CO 0.10 0.21 0.30 0.08 -1.34 0.00 0.00 175.55 174.90 1whk s VAL 33 N -1.36 -0.42 -3.13 3.14 1.01 -1.26 -2.53 120.40 115.85 1whk s VAL 33 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1whk s VAL 33 Cb -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1whk s VAL 33 CO 0.04 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1whk n GLY 34 N 5.31 -0.81 0.00 4.51 0.00 -0.97 -4.99 105.19 108.25 1whk n GLY 34 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1whk n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whk n PRO 35 N 0.00 -1.01 -4.22 1.61 -0.04 -1.25 -0.89 135.00 129.19 1whk n PRO 35 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1whk n PRO 35 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1whk n PRO 35 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1whk n THR 36 N -2.50 0.00 -1.44 0.52 -2.24 -1.26 -4.74 114.28 102.62 1whk n THR 36 Ca 0.00 -2.36 -0.12 0.00 -2.27 0.00 0.00 64.05 59.30 1whk n THR 36 Cb 0.00 1.22 0.17 0.00 -2.10 0.00 0.00 70.33 69.62 1whk n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whk n ASP 37 N -1.66 3.28 0.00 3.42 2.03 -1.26 -4.60 116.55 117.76 1whk n ASP 37 Ca 0.07 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.62 1whk n ASP 37 Cb 0.61 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1whk n ASP 37 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1whk n PHE 38 N -1.09 -0.94 -3.14 -0.67 1.16 -1.26 -4.84 117.46 106.68 1whk n PHE 38 Ca 0.42 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.81 1whk n PHE 38 Cb 1.15 0.33 0.03 0.00 -1.61 0.00 0.00 39.48 39.37 1whk n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1whk s ALA 39 N -1.65 4.55 -0.19 1.98 0.00 -1.26 -5.11 121.76 120.08 1whk s ALA 39 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1whk s ALA 39 Cb 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1whk s ALA 39 CO 0.00 -0.54 -0.18 -1.54 0.00 0.00 0.00 175.76 173.51 1whk s SER 40 N -4.46 3.31 0.00 0.00 1.04 -1.26 -4.39 113.70 107.94 1whk s SER 40 Ca 0.56 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1whk s SER 40 Cb -0.07 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1whk s SER 40 CO 0.34 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1whk n GLY 41 N 4.64 0.55 3.87 7.32 0.00 -1.26 -5.09 105.19 115.22 1whk n GLY 41 Ca -0.20 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 1whk n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whk s ILE 42 N -2.50 4.85 0.23 -0.61 1.01 -1.26 -3.91 121.20 119.00 1whk s ILE 42 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1whk s ILE 42 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1whk s ILE 42 CO 0.00 -0.19 0.56 0.26 0.00 0.00 0.00 174.94 175.57 1whk s TRP 43 N -1.87 -0.01 -0.20 3.97 0.52 -0.07 -4.77 118.94 116.52 1whk s TRP 43 Ca 0.33 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 56.04 1whk s TRP 43 Cb -0.10 0.42 0.07 0.00 -1.15 0.00 0.00 33.47 32.71 1whk s TRP 43 CO 0.26 -1.02 0.09 -0.51 0.02 0.00 0.00 176.95 175.79 1whk s LEU 44 N -2.92 0.55 -1.14 2.99 1.43 0.08 -2.28 118.68 117.39 1whk s LEU 44 Ca 0.13 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 1whk s LEU 44 Cb -0.02 -0.33 -0.08 0.00 0.03 0.00 0.00 46.19 45.79 1whk s LEU 44 CO 0.03 -0.36 1.92 0.61 0.23 0.00 0.00 176.35 178.77 1whk n GLY 45 N 5.23 1.44 3.65 -3.19 0.00 -1.05 -3.59 105.19 107.68 1whk n GLY 45 Ca -0.07 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1whk n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whk s LEU 46 N 8.78 1.95 -0.24 0.99 1.43 -0.98 -3.06 118.68 127.54 1whk s LEU 46 Ca 0.65 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.29 1whk s LEU 46 Cb 0.02 -3.84 0.11 0.00 0.03 0.00 0.00 46.19 42.51 1whk s LEU 46 CO 0.13 -3.12 0.26 -0.70 0.23 0.00 0.00 176.35 173.14 1whk s GLU 47 N -4.78 0.26 0.87 1.70 -6.30 -0.78 -3.08 118.70 106.58 1whk s GLU 47 Ca 0.65 0.07 -0.12 0.00 -2.50 0.00 0.00 54.97 53.07 1whk s GLU 47 Cb -0.20 -0.93 0.11 0.00 0.00 0.00 0.00 34.13 33.11 1whk s GLU 47 CO 0.59 -0.81 1.12 -0.51 0.02 0.00 0.00 175.26 175.67 1whk s LEU 48 N 2.35 2.23 -0.00 2.70 1.43 -0.98 -3.42 118.68 122.99 1whk s LEU 48 Ca 0.09 1.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.37 1whk s LEU 48 Cb -0.15 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.29 1whk s LEU 48 CO -0.21 -2.35 0.82 0.03 0.23 0.00 0.00 176.35 174.86 1whk h ARG 49 N -1.36 0.05 0.00 1.70 2.47 -1.88 -3.44 114.38 111.93 1whk h ARG 49 Ca -0.49 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 1whk h ARG 49 Cb 1.31 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1whk h ARG 49 CO 0.61 0.75 0.00 0.45 0.56 0.00 0.00 179.97 182.34 1whk n SER 50 N -3.20 1.09 -4.37 7.04 2.88 -1.26 -5.07 113.62 110.73 1whk n SER 50 Ca -0.14 -0.91 -0.46 0.00 -1.33 0.00 0.00 58.87 56.03 1whk n SER 50 Cb 1.02 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.45 1whk n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whk s ALA 51 N -2.00 3.69 -0.22 -1.46 0.00 -1.26 -4.51 121.76 116.01 1whk s ALA 51 Ca 0.00 -2.82 0.18 0.00 0.00 0.00 0.00 51.96 49.32 1whk s ALA 51 Cb 0.00 -3.62 0.41 0.00 0.00 0.00 0.00 23.12 19.91 1whk s ALA 51 CO 0.00 -2.44 1.24 1.63 0.00 0.00 0.00 175.76 176.20 1whk n LYS 52 N 5.35 1.18 -1.17 0.00 5.02 -1.09 -4.97 118.16 122.47 1whk n LYS 52 Ca 0.07 -2.30 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 1whk n LYS 52 Cb 0.46 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whk n GLY 53 N -0.68 5.08 1.61 0.72 0.00 -1.19 -4.95 105.19 105.79 1whk n GLY 53 Ca -0.05 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1whk n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whk n LYS 54 N 0.00 0.34 -3.98 1.61 4.76 -1.19 -4.69 118.16 115.02 1whk n LYS 54 Ca 0.00 -2.29 -0.08 0.00 -2.87 0.00 0.00 58.31 53.07 1whk n LYS 54 Cb 0.00 -0.32 -0.09 0.00 -1.84 0.00 0.00 35.03 32.78 1whk n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1whk s ASN 55 N -2.31 0.29 -0.31 4.39 0.01 -1.23 -4.96 114.94 110.82 1whk s ASN 55 Ca 0.34 -0.72 0.08 0.00 -0.71 0.00 0.00 52.86 51.84 1whk s ASN 55 Cb 0.38 0.23 0.48 0.00 0.41 0.00 0.00 41.25 42.74 1whk s ASN 55 CO -0.15 -0.56 1.41 -0.90 -1.51 0.00 0.00 177.10 175.39 1whk n ASP 56 N 0.46 3.31 0.00 -1.22 5.75 -1.26 -1.74 116.55 121.84 1whk n ASP 56 Ca -0.17 -3.81 0.00 0.00 -0.01 0.00 0.00 54.79 50.80 1whk n ASP 56 Cb 0.60 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1whk n GLY 57 N -1.02 3.02 2.98 6.12 0.00 -1.26 -4.59 105.19 110.44 1whk n GLY 57 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1whk n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whk s ALA 58 N -2.67 0.41 -0.26 4.61 0.00 -1.26 -1.93 121.76 120.65 1whk s ALA 58 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1whk s ALA 58 Cb 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.14 1whk s ALA 58 CO 0.00 0.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.80 1whk s VAL 59 N -0.52 2.06 0.00 0.00 1.01 -0.85 -4.99 120.40 117.11 1whk s VAL 59 Ca -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1whk s VAL 59 Cb -0.04 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1whk s VAL 59 CO -0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1whk n GLY 60 N 4.46 0.67 1.87 4.51 0.00 -1.26 -3.51 105.19 111.94 1whk n GLY 60 Ca -0.12 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1whk n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1whk n ASP 61 N 6.75 3.31 -3.91 1.61 9.92 -1.26 -4.95 116.55 128.01 1whk n ASP 61 Ca 0.00 -3.68 -0.09 0.00 -0.53 0.00 0.00 54.79 50.49 1whk n ASP 61 Cb 0.00 -0.77 -0.09 0.00 -0.64 0.00 0.00 41.12 39.62 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1whk s LYS 62 N -3.29 0.63 0.45 -1.24 2.36 -1.23 -5.07 119.74 112.36 1whk s LYS 62 Ca 0.53 -0.76 0.07 0.00 -2.55 0.00 0.00 55.97 53.26 1whk s LYS 62 Cb 0.46 0.25 -0.01 0.00 -1.05 0.00 0.00 37.83 37.48 1whk s LYS 62 CO 0.07 -0.17 0.35 0.50 1.55 0.00 0.00 175.35 177.65 1whk s ARG 63 N -2.75 2.38 0.00 4.03 6.06 -1.26 -2.01 118.95 125.40 1whk s ARG 63 Ca -0.04 -1.74 0.00 0.00 -2.50 0.00 0.00 55.73 51.45 1whk s ARG 63 Cb -0.00 -2.21 0.00 0.00 0.06 0.00 0.00 34.95 32.79 1whk s ARG 63 CO -0.05 -0.31 0.00 0.66 -2.50 0.00 0.00 175.30 173.10 1whk n TYR 64 N -1.55 -1.31 -3.97 5.12 4.01 -1.09 -4.89 117.16 113.47 1whk n TYR 64 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1whk n TYR 64 Cb 0.63 0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 40.00 1whk n TYR 64 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1whk n PHE 65 N -2.23 -1.41 -4.48 -0.72 -1.74 -0.81 -4.22 117.46 101.86 1whk n PHE 65 Ca 0.00 -2.04 -0.27 0.00 -0.56 0.00 0.00 57.45 54.58 1whk n PHE 65 Cb 0.00 0.52 -0.17 0.00 1.52 0.00 0.00 39.48 41.35 1whk n PHE 65 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1whk s THR 66 N -2.72 1.35 0.14 1.97 2.01 -1.26 -4.36 115.64 112.76 1whk s THR 66 Ca 0.25 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 1whk s THR 66 Cb -0.01 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.29 1whk s THR 66 CO 0.18 0.41 0.46 0.00 -0.69 0.00 0.00 174.62 174.97 1whk s LYS 68 N -2.03 2.10 -0.24 0.00 1.02 -1.26 -4.66 119.74 114.67 1whk s LYS 68 Ca 0.10 -0.60 -0.36 0.00 0.02 0.00 0.00 55.97 55.13 1whk s LYS 68 Cb -0.02 -2.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.89 1whk s LYS 68 CO 0.04 -1.19 1.97 -2.30 -0.92 0.00 0.00 175.35 172.94 1whk n PRO 69 N -2.78 1.49 -3.16 -1.68 -0.02 -1.26 -2.24 135.00 125.36 1whk n PRO 69 Ca 0.10 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1whk n PRO 69 Cb 0.60 -2.45 0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1whk n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1whk n ASN 70 N 7.61 -6.61 -0.00 2.55 3.02 -0.71 -4.91 115.26 116.20 1whk n ASN 70 Ca 0.31 -0.60 -0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1whk n ASN 70 Cb 0.23 -5.04 -0.00 0.00 -0.61 0.00 0.00 39.78 34.36 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1whk n TYR 71 N -2.98 0.00 -2.85 3.10 4.02 -0.95 -2.68 117.16 114.83 1whk n TYR 71 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.64 1whk n TYR 71 Cb 0.60 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.94 1whk n TYR 71 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1whk s GLY 72 N -4.42 1.87 0.04 2.72 0.00 -1.26 -2.31 107.32 103.96 1whk s GLY 72 Ca -0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1whk s GLY 72 CO 0.00 -1.25 -0.00 -1.34 0.00 0.00 0.00 173.10 170.51 1whk s VAL 73 N -2.55 0.16 -0.22 1.40 -7.23 -1.18 -3.14 120.40 107.64 1whk s VAL 73 Ca 0.56 -1.35 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 1whk s VAL 73 Cb -0.10 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1whk s VAL 73 CO 0.36 -0.75 0.05 -0.76 -0.31 0.00 0.00 175.10 173.69 1whk s LEU 74 N -2.26 3.47 0.27 1.32 1.43 -1.26 -2.33 118.68 119.32 1whk s LEU 74 Ca -0.03 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1whk s LEU 74 Cb -0.00 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1whk s LEU 74 CO -0.06 0.03 0.49 0.68 0.23 0.00 0.00 176.35 177.72 1whk s VAL 75 N 1.23 0.00 0.23 -1.59 -7.23 -1.24 -5.01 120.40 106.79 1whk s VAL 75 Ca 0.04 -1.43 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1whk s VAL 75 Cb -0.14 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1whk s VAL 75 CO 0.03 0.00 0.06 -0.13 -0.31 0.00 0.00 175.10 174.75 1whk s ARG 76 N -3.74 2.54 0.20 4.82 0.52 -1.26 -0.74 118.95 121.29 1whk s ARG 76 Ca 0.24 -1.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.08 1whk s ARG 76 Cb -0.01 -2.36 0.18 0.00 0.52 0.00 0.00 34.95 33.29 1whk s ARG 76 CO 0.11 0.41 1.60 -1.35 0.02 0.00 0.00 175.30 176.09 1whk h PRO 77 N 2.04 -0.10 -0.12 3.54 0.11 -1.90 1.66 132.00 137.24 1whk h PRO 77 Ca -0.46 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1whk h PRO 77 Cb 1.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1whk h PRO 77 CO 0.60 -0.06 0.25 0.77 -0.21 0.00 0.00 178.00 179.34 1whk h SER 78 N -0.10 0.00 0.27 -2.05 0.02 -1.98 0.91 113.55 110.62 1whk h SER 78 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1whk h SER 78 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1whk h SER 78 CO -0.70 0.00 -0.60 0.54 -1.14 0.00 0.00 176.83 174.93 1whk n ARG 79 N -3.35 0.24 -4.04 3.45 5.12 0.54 -4.84 116.66 113.79 1whk n ARG 79 Ca 0.00 -0.17 -0.23 0.00 -1.93 0.00 0.00 57.85 55.53 1whk n ARG 79 Cb 0.34 -1.50 -0.17 0.00 -1.16 0.00 0.00 32.46 29.98 1whk n ARG 79 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1whk s VAL 80 N -2.88 0.68 0.06 1.55 -7.23 0.32 -2.45 120.40 110.46 1whk s VAL 80 Ca 0.13 -0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 1whk s VAL 80 Cb 0.17 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1whk s VAL 80 CO 0.71 0.29 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.80 1whk s THR 81 N 1.39 0.72 0.00 5.32 2.01 -0.82 -4.68 115.64 119.58 1whk s THR 81 Ca -0.03 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.74 1whk s THR 81 Cb -0.13 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1whk s THR 81 CO -0.03 -0.39 0.00 0.00 -0.69 0.00 0.00 174.62 173.51 1whk n TYR 82 N 1.26 0.00 -3.61 4.92 4.11 -1.26 0.43 117.16 123.01 1whk n TYR 82 Ca -0.21 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.75 1whk n TYR 82 Cb 0.55 0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.88 1whk n TYR 82 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1whk n ARG 83 N -2.57 -0.94 -2.06 -3.48 5.12 -1.26 -4.69 116.66 106.79 1whk n ARG 83 Ca 0.00 0.62 0.01 0.00 -1.93 0.00 0.00 57.85 56.55 1whk n ARG 83 Cb 0.47 -1.14 0.04 0.00 -1.16 0.00 0.00 32.46 30.67 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1whk n GLY 84 N -1.40 1.70 3.86 -0.13 0.00 -1.26 -5.09 105.19 102.87 1whk n GLY 84 Ca 0.00 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1whk n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1whk s ILE 85 N -1.93 5.35 -0.39 -0.61 -4.36 -1.26 -5.05 121.20 112.95 1whk s ILE 85 Ca 0.32 0.42 0.00 0.00 -0.26 0.00 0.00 60.65 61.13 1whk s ILE 85 Cb 0.36 -3.51 0.19 0.00 1.25 0.00 0.00 42.46 40.75 1whk s ILE 85 CO -0.10 0.60 0.83 -0.94 0.24 0.00 0.00 174.94 175.57 1whk s SER 86 N -0.97 -0.99 0.00 4.36 1.04 -1.26 -5.06 113.70 110.82 1whk s SER 86 Ca 0.18 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1whk s SER 86 Cb -0.13 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.25 1whk s SER 86 CO 0.07 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1whk n GLY 87 N 3.84 -1.94 0.43 7.32 0.00 -1.26 -4.90 105.19 108.68 1whk n GLY 87 Ca 0.10 -0.24 0.25 0.00 0.00 0.00 0.00 46.02 46.12 1whk n GLY 87 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1whk h PRO 88 N 0.00 0.00 -5.62 1.61 0.11 -2.02 -3.38 132.00 122.70 1whk h PRO 88 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 1whk h PRO 88 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1whk h PRO 88 CO 0.00 0.00 0.81 -1.54 -0.21 0.00 0.00 178.00 177.06 1whk s SER 89 N -5.81 4.59 -0.08 -2.05 1.04 -1.26 -4.37 113.70 105.77 1whk s SER 89 Ca -0.05 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.55 1whk s SER 89 Cb 0.20 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.88 1whk s SER 89 CO 0.74 -3.09 0.71 -1.20 0.98 0.00 0.00 173.24 171.38 1whk n SER 90 N 15.77 -0.56 0.00 7.02 7.64 -1.26 -5.18 113.62 137.05 1whk n SER 90 Ca 0.38 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1whk n SER 90 Cb 0.48 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1whk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64