#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk s SER 2 N 0.00 6.93 -0.03 1.61 0.15 -1.26 -5.02 113.70 116.07 1whk s SER 2 Ca 0.00 2.27 0.00 0.00 0.70 0.00 0.00 55.95 58.92 1whk s SER 2 Cb 0.00 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1whk s SER 2 CO 0.00 -0.55 0.01 -0.44 1.20 0.00 0.00 173.24 173.46 1whk s SER 3 N 0.80 0.39 -0.68 5.45 0.01 -1.26 -5.10 113.70 113.30 1whk s SER 3 Ca 0.60 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.63 1whk s SER 3 Cb -0.35 -0.18 0.07 0.00 0.21 0.00 0.00 66.02 65.77 1whk s SER 3 CO 0.33 -0.12 0.98 -0.83 0.41 0.00 0.00 173.24 174.01 1whk s GLY 4 N 1.10 1.40 -0.00 3.44 0.00 -1.26 -4.70 107.32 107.30 1whk s GLY 4 Ca -0.09 -1.90 0.10 0.00 0.00 0.00 0.00 44.72 42.83 1whk s GLY 4 CO -0.02 2.07 1.06 -1.14 0.00 0.00 0.00 173.10 175.07 1whk n SER 5 N 7.66 -0.26 -1.40 1.64 3.41 -1.26 -5.15 113.62 118.26 1whk n SER 5 Ca -0.02 -2.00 0.18 0.00 -0.26 0.00 0.00 58.87 56.78 1whk n SER 5 Cb 0.46 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1whk n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1whk n SER 6 N 0.18 -8.24 -4.57 4.04 2.88 -1.26 -4.44 113.62 102.20 1whk n SER 6 Ca -0.15 0.75 -0.40 0.00 -1.33 0.00 0.00 58.87 57.74 1whk n SER 6 Cb 0.87 -4.37 -0.03 0.00 -0.75 0.00 0.00 64.21 59.93 1whk n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whk s GLY 7 N -6.93 0.32 -0.13 0.46 0.00 -1.26 -4.79 107.32 94.99 1whk s GLY 7 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 44.72 44.62 1whk s GLY 7 CO 0.00 3.48 0.31 1.18 0.00 0.00 0.00 173.10 178.07 1whk n GLU 8 N 8.89 0.67 -4.05 2.90 1.02 -1.26 -4.83 120.64 123.97 1whk n GLU 8 Ca 0.24 0.18 -0.32 0.00 -0.02 0.00 0.00 57.16 57.24 1whk n GLU 8 Cb 0.50 -1.66 -0.15 0.00 -0.02 0.00 0.00 31.44 30.11 1whk n GLU 8 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1whk s GLY 9 N -5.49 1.59 0.00 0.62 0.00 -1.26 -5.08 107.32 97.71 1whk s GLY 9 Ca -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1whk s GLY 9 CO 0.79 0.65 0.00 -0.37 0.00 0.00 0.00 173.10 174.17 1whk n THR 10 N 4.47 0.00 -5.09 0.90 5.66 -1.26 -4.76 114.28 114.20 1whk n THR 10 Ca -0.14 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.54 1whk n THR 10 Cb 0.43 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.06 1whk n THR 10 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1whk s VAL 11 N 0.00 2.56 0.47 1.08 1.01 -1.26 -4.90 120.40 119.36 1whk s VAL 11 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1whk s VAL 11 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1whk s VAL 11 CO 0.00 0.58 0.80 -0.54 0.00 0.00 0.00 175.10 175.94 1whk s LYS 12 N -0.63 3.62 0.34 2.72 1.02 -1.26 -5.02 119.74 120.52 1whk s LYS 12 Ca 0.10 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.42 1whk s LYS 12 Cb -0.11 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1whk s LYS 12 CO 0.00 -0.18 0.05 1.28 -0.92 0.00 0.00 175.35 175.58 1whk n LEU 13 N -2.02 0.00 -1.77 3.17 4.77 -1.26 -5.08 117.00 114.82 1whk n LEU 13 Ca 0.02 -2.31 -0.05 0.00 -0.03 0.00 0.00 56.01 53.64 1whk n LEU 13 Cb 0.55 0.50 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1whk n LEU 13 CO 0.52 -0.34 0.48 1.57 -1.33 0.00 0.00 177.39 178.29 1whk n HIS 14 N -0.81 -0.95 -2.31 -1.77 -0.00 -1.26 -5.09 115.22 103.03 1whk n HIS 14 Ca -0.10 -1.06 0.00 0.00 0.46 0.00 0.00 57.72 57.02 1whk n HIS 14 Cb 0.46 0.99 0.00 0.00 -0.12 0.00 0.00 29.99 31.32 1whk n HIS 14 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1whk n GLU 15 N -0.72 -5.21 0.00 1.57 1.02 -1.26 -4.93 120.64 111.11 1whk n GLU 15 Ca -0.23 3.77 0.00 0.00 -0.02 0.00 0.00 57.16 60.68 1whk n GLU 15 Cb 0.78 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.54 1whk n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1whk n GLY 16 N 1.82 1.52 3.35 0.62 0.00 0.64 -4.96 105.19 108.19 1whk n GLY 16 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1whk n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk s SER 17 N -2.00 1.67 -0.02 1.61 0.01 -1.26 -4.92 113.70 108.79 1whk s SER 17 Ca 0.00 -1.33 -0.03 0.00 1.31 0.00 0.00 55.95 55.90 1whk s SER 17 Cb 0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1whk s SER 17 CO 0.00 -0.63 0.17 -1.10 0.41 0.00 0.00 173.24 172.08 1whk s GLN 18 N -3.95 3.40 0.19 12.44 -1.52 -1.26 -0.94 119.66 128.03 1whk s GLN 18 Ca 0.34 -0.32 -0.08 0.00 -1.95 0.00 0.00 55.36 53.35 1whk s GLN 18 Cb 0.07 -3.08 -0.01 0.00 -0.22 0.00 0.00 33.01 29.77 1whk s GLN 18 CO 0.12 0.68 0.31 0.14 -0.25 0.00 0.00 175.29 176.29 1whk s VAL 19 N -1.29 0.04 -0.00 1.09 -7.23 -0.46 -4.84 120.40 107.71 1whk s VAL 19 Ca 0.26 -1.51 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1whk s VAL 19 Cb -0.12 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1whk s VAL 19 CO 0.17 -0.16 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.47 1whk s LEU 20 N -3.02 2.05 0.24 1.32 2.96 -0.69 -1.13 118.68 120.41 1whk s LEU 20 Ca 0.23 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 1whk s LEU 20 Cb 0.03 -0.54 -0.08 0.00 0.50 0.00 0.00 46.19 46.10 1whk s LEU 20 CO 0.05 0.11 0.59 -0.76 -1.32 0.00 0.00 176.35 175.01 1whk s LEU 21 N -0.41 4.16 -0.45 -0.68 1.43 -1.21 0.31 118.68 121.84 1whk s LEU 21 Ca 0.03 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.19 1whk s LEU 21 Cb -0.05 -3.72 0.62 0.00 0.03 0.00 0.00 46.19 43.06 1whk s LEU 21 CO -0.00 -0.08 1.85 0.35 0.23 0.00 0.00 176.35 178.69 1whk n THR 22 N -0.09 3.14 0.00 5.49 -2.24 -1.15 -3.23 114.28 116.21 1whk n THR 22 Ca 0.01 -2.21 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 1whk n THR 22 Cb 0.52 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1whk n SER 23 N -1.11 0.07 -0.01 3.42 7.64 -1.26 -4.89 113.62 117.48 1whk n SER 23 Ca 0.56 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.54 1whk n SER 23 Cb 1.45 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 64.50 1whk n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whk n SER 24 N -2.29 0.44 -3.34 6.43 7.64 -1.26 -5.00 113.62 116.25 1whk n SER 24 Ca 0.00 -0.37 -0.21 0.00 1.01 0.00 0.00 58.87 59.29 1whk n SER 24 Cb 0.03 1.61 0.07 0.00 -1.01 0.00 0.00 64.21 64.92 1whk n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1whk n ASN 25 N -1.96 -5.65 -4.06 6.43 5.03 -1.20 -5.01 115.26 108.85 1whk n ASN 25 Ca -0.01 -0.50 -0.27 0.00 0.87 0.00 0.00 54.58 54.67 1whk n ASN 25 Cb 0.47 -4.68 -0.17 0.00 -1.02 0.00 0.00 39.78 34.38 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1whk s GLU 26 N -6.12 2.02 0.74 3.52 0.41 -1.26 -4.92 118.70 113.09 1whk s GLU 26 Ca 0.49 -0.52 -0.13 0.00 -0.41 0.00 0.00 54.97 54.40 1whk s GLU 26 Cb -0.21 -1.65 0.04 0.00 -1.78 0.00 0.00 34.13 30.53 1whk s GLU 26 CO 0.67 0.04 1.13 -1.64 -0.49 0.00 0.00 175.26 174.97 1whk s MET 27 N 0.68 2.27 0.06 1.61 -1.94 -1.26 -3.36 119.30 117.36 1whk s MET 27 Ca -0.14 1.43 -0.21 0.00 -1.71 0.00 0.00 55.69 55.06 1whk s MET 27 Cb -0.16 -1.88 0.05 0.00 2.01 0.00 0.00 34.83 34.85 1whk s MET 27 CO 0.04 -1.67 0.50 0.00 -0.01 0.00 0.00 175.02 173.88 1whk s ALA 28 N -2.47 -1.27 -0.03 3.03 0.00 -0.28 -4.86 121.76 115.89 1whk s ALA 28 Ca 0.67 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1whk s ALA 28 Cb -0.22 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1whk s ALA 28 CO 0.49 -0.54 0.28 0.99 0.00 0.00 0.00 175.76 176.98 1whk s THR 29 N -2.71 5.27 -0.14 0.00 2.01 -1.10 -1.35 115.64 117.61 1whk s THR 29 Ca -0.04 0.39 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 1whk s THR 29 Cb -0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1whk s THR 29 CO -0.04 0.49 0.84 -0.69 -0.69 0.00 0.00 174.62 174.53 1whk s VAL 30 N -1.17 4.89 -0.09 3.82 1.01 -0.11 -1.25 120.40 127.49 1whk s VAL 30 Ca 0.23 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1whk s VAL 30 Cb -0.14 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1whk s VAL 30 CO 0.12 0.06 -0.03 0.54 0.00 0.00 0.00 175.10 175.78 1whk n ARG 31 N 4.99 1.45 -4.01 2.72 5.12 -0.57 -0.26 116.66 126.11 1whk n ARG 31 Ca 0.04 0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 55.91 1whk n ARG 31 Cb 0.49 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.48 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 -2.20 0.33 -0.10 -1.55 6.14 -1.15 -4.78 117.35 114.04 1whk s TYR 32 Ca -0.09 -0.68 -0.04 0.00 0.64 0.00 0.00 57.07 56.90 1whk s TYR 32 Cb 0.03 -0.24 0.05 0.00 0.42 0.00 0.00 41.96 42.22 1whk s TYR 32 CO 0.28 -0.27 0.21 0.08 0.64 0.00 0.00 175.55 176.49 1whk s VAL 33 N -2.35 -0.29 -5.00 3.14 1.01 -1.26 -1.84 120.40 113.81 1whk s VAL 33 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1whk s VAL 33 Cb -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1whk s VAL 33 CO -0.04 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1whk n GLY 34 N 5.15 0.31 2.11 4.51 0.00 -0.82 -5.02 105.19 111.43 1whk n GLY 34 Ca -0.09 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.24 -4.43 1.61 -0.04 -1.25 -0.42 135.00 128.24 1whk n PRO 35 Ca 0.00 -1.05 -0.23 0.00 -0.04 0.00 0.00 63.50 62.18 1whk n PRO 35 Cb 0.00 -0.97 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1whk n PRO 35 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1whk s THR 36 N -2.21 0.42 -0.14 0.52 -4.23 -1.26 -4.69 115.64 104.04 1whk s THR 36 Ca 0.43 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.09 1whk s THR 36 Cb -0.04 -2.42 -0.24 0.00 1.34 0.00 0.00 72.50 71.14 1whk s THR 36 CO 0.33 0.00 0.28 -0.90 -0.54 0.00 0.00 174.62 173.78 1whk n ASP 37 N -1.27 0.40 -1.99 3.99 5.68 -1.26 -4.27 116.55 117.83 1whk n ASP 37 Ca -0.02 0.15 -0.21 0.00 -0.50 0.00 0.00 54.79 54.22 1whk n ASP 37 Cb 0.64 0.55 0.17 0.00 -1.14 0.00 0.00 41.12 41.35 1whk n ASP 37 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1whk n PHE 38 N -2.88 2.62 -3.62 2.11 -1.74 -1.26 -4.96 117.46 107.73 1whk n PHE 38 Ca -0.28 -1.94 -0.01 0.00 -0.56 0.00 0.00 57.45 54.67 1whk n PHE 38 Cb 1.12 -0.89 -0.01 0.00 1.52 0.00 0.00 39.48 41.22 1whk n PHE 38 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1whk s ALA 39 N -3.36 -2.14 -0.52 1.98 0.00 -1.26 -5.11 121.76 111.35 1whk s ALA 39 Ca 0.55 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.50 1whk s ALA 39 Cb 0.47 0.23 0.14 0.00 0.00 0.00 0.00 23.12 23.96 1whk s ALA 39 CO 0.07 -0.90 0.31 0.45 0.00 0.00 0.00 175.76 175.69 1whk s SER 40 N -2.71 3.91 0.00 0.00 0.15 -1.26 -4.13 113.70 109.65 1whk s SER 40 Ca 0.12 -3.06 0.00 0.00 0.70 0.00 0.00 55.95 53.71 1whk s SER 40 Cb 0.02 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1whk s SER 40 CO -0.04 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1whk n GLY 41 N 2.99 0.98 3.21 9.45 0.00 -1.26 -5.07 105.19 115.49 1whk n GLY 41 Ca 0.12 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 1.20 1.73 0.21 -0.61 1.09 -1.26 -3.80 121.20 119.76 1whk s ILE 42 Ca 0.00 -0.90 -0.08 0.00 -1.10 0.00 0.00 60.65 58.57 1whk s ILE 42 Cb 0.00 -1.46 -0.02 0.00 -1.06 0.00 0.00 42.46 39.92 1whk s ILE 42 CO 0.00 0.49 0.31 0.26 -0.10 0.00 0.00 174.94 175.90 1whk s TRP 43 N -0.20 0.65 -0.24 3.97 0.52 0.44 -4.55 118.94 119.53 1whk s TRP 43 Ca 0.00 -0.96 -0.04 0.00 0.02 0.00 0.00 56.10 55.12 1whk s TRP 43 Cb -0.11 -0.13 0.08 0.00 -1.15 0.00 0.00 33.47 32.16 1whk s TRP 43 CO 0.02 -0.80 0.10 -0.51 0.02 0.00 0.00 176.95 175.77 1whk s LEU 44 N -3.05 0.68 -0.85 2.99 1.43 0.28 -1.94 118.68 118.22 1whk s LEU 44 Ca 0.27 -1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.10 1whk s LEU 44 Cb 0.03 -0.38 -0.10 0.00 0.03 0.00 0.00 46.19 45.77 1whk s LEU 44 CO 0.08 -0.39 2.20 -0.83 0.23 0.00 0.00 176.35 177.63 1whk s GLY 45 N 2.05 -0.37 0.99 -3.19 0.00 -0.77 -3.32 107.32 102.71 1whk s GLY 45 Ca 0.05 -1.13 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 1whk s GLY 45 CO -0.22 3.89 1.23 1.08 0.00 0.00 0.00 173.10 179.08 1whk s LEU 46 N 12.67 2.13 -0.27 0.66 1.43 -0.44 -1.51 118.68 133.34 1whk s LEU 46 Ca 0.82 0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 54.41 1whk s LEU 46 Cb -0.10 -2.61 0.15 0.00 0.03 0.00 0.00 46.19 43.66 1whk s LEU 46 CO 0.04 -2.91 0.54 -0.70 0.23 0.00 0.00 176.35 173.56 1whk s GLU 47 N -5.64 0.49 0.75 1.70 2.12 -0.38 -3.58 118.70 114.16 1whk s GLU 47 Ca 0.70 1.03 -0.05 0.00 0.36 0.00 0.00 54.97 57.01 1whk s GLU 47 Cb -0.08 0.40 0.12 0.00 0.26 0.00 0.00 34.13 34.83 1whk s GLU 47 CO 0.53 -0.46 1.04 -0.51 -0.54 0.00 0.00 175.26 175.32 1whk s LEU 48 N 2.77 2.92 -0.10 2.70 1.43 -0.84 -2.71 118.68 124.84 1whk s LEU 48 Ca 0.09 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1whk s LEU 48 Cb -0.14 -2.39 -0.24 0.00 0.03 0.00 0.00 46.19 43.46 1whk s LEU 48 CO -0.18 -1.90 0.42 0.54 0.23 0.00 0.00 176.35 175.46 1whk n ARG 49 N -2.99 0.67 -3.97 1.70 1.74 -1.26 -4.76 116.66 107.79 1whk n ARG 49 Ca 0.13 0.22 -0.26 0.00 -0.77 0.00 0.00 57.85 57.17 1whk n ARG 49 Cb 0.60 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1whk n ARG 49 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1whk s SER 50 N -6.23 4.60 -0.89 0.55 0.01 -1.26 -5.06 113.70 105.42 1whk s SER 50 Ca -0.12 -1.19 -0.24 0.00 1.31 0.00 0.00 55.95 55.71 1whk s SER 50 Cb 0.07 0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.50 1whk s SER 50 CO 0.80 -0.92 1.30 0.00 0.41 0.00 0.00 173.24 174.83 1whk s ALA 51 N -2.71 2.86 -0.21 1.44 0.00 -1.26 -4.54 121.76 117.33 1whk s ALA 51 Ca 0.34 -2.02 0.19 0.00 0.00 0.00 0.00 51.96 50.48 1whk s ALA 51 Cb -0.01 -4.31 0.44 0.00 0.00 0.00 0.00 23.12 19.24 1whk s ALA 51 CO 0.21 -3.34 1.21 1.63 0.00 0.00 0.00 175.76 175.47 1whk n LYS 52 N 8.58 1.22 -2.23 0.00 5.02 -0.86 -4.96 118.16 124.93 1whk n LYS 52 Ca 0.19 -2.54 -0.02 0.00 -2.02 0.00 0.00 58.31 53.92 1whk n LYS 52 Cb 0.50 -0.71 -0.01 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.59 3.96 1.18 0.72 0.00 -1.03 -4.95 105.19 104.48 1whk n GLY 53 Ca -0.02 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.08 1.09 -4.10 1.61 5.02 -1.23 -4.65 118.16 115.82 1whk n LYS 54 Ca 0.00 -2.85 -0.12 0.00 -2.02 0.00 0.00 58.31 53.33 1whk n LYS 54 Cb 0.06 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 1whk n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1whk s ASN 55 N -2.79 0.92 -0.30 4.39 0.01 -1.21 -4.93 114.94 111.04 1whk s ASN 55 Ca 0.37 -0.73 0.08 0.00 -0.71 0.00 0.00 52.86 51.87 1whk s ASN 55 Cb 0.38 0.07 0.51 0.00 0.41 0.00 0.00 41.25 42.61 1whk s ASN 55 CO -0.10 -0.32 1.47 -0.67 -1.51 0.00 0.00 177.10 175.97 1whk n ASP 56 N 0.88 2.45 0.00 -1.22 -0.08 -1.26 0.89 116.55 118.21 1whk n ASP 56 Ca -0.19 -3.80 0.00 0.00 -1.51 0.00 0.00 54.79 49.29 1whk n ASP 56 Cb 0.57 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.39 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whk n GLY 57 N -1.13 2.29 3.32 0.27 0.00 -1.26 -4.68 105.19 104.00 1whk n GLY 57 Ca 0.34 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.16 2.59 -0.32 4.61 0.00 -1.26 -2.87 121.76 124.36 1whk s ALA 58 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1whk s ALA 58 Cb 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.88 1whk s ALA 58 CO 0.00 0.07 0.08 0.08 0.00 0.00 0.00 175.76 175.99 1whk s VAL 59 N 0.65 3.76 0.00 0.00 1.01 0.19 -4.93 120.40 121.09 1whk s VAL 59 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1whk s VAL 59 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1whk s VAL 59 CO 0.02 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1whk n GLY 60 N 4.82 3.07 2.08 4.51 0.00 -1.26 -2.48 105.19 115.94 1whk n GLY 60 Ca -0.13 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 8.29 3.57 -3.33 1.61 8.00 -1.26 -4.95 116.55 128.48 1whk n ASP 61 Ca 0.00 -3.64 -0.09 0.00 0.71 0.00 0.00 54.79 51.78 1whk n ASP 61 Cb 0.00 -0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1whk s LYS 62 N -3.29 2.02 -0.06 -1.24 2.20 -1.03 -5.14 119.74 113.20 1whk s LYS 62 Ca 0.55 -1.30 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 1whk s LYS 62 Cb 0.47 0.60 0.02 0.00 -1.51 0.00 0.00 37.83 37.41 1whk s LYS 62 CO 0.09 -0.93 0.29 -0.98 -0.36 0.00 0.00 175.35 173.47 1whk s ARG 63 N -3.00 0.49 -0.01 4.03 1.70 -1.26 0.54 118.95 121.44 1whk s ARG 63 Ca 0.16 0.11 0.10 0.00 -0.47 0.00 0.00 55.73 55.62 1whk s ARG 63 Cb -0.05 0.22 -0.14 0.00 -0.57 0.00 0.00 34.95 34.41 1whk s ARG 63 CO 0.10 -0.10 0.23 0.66 -1.08 0.00 0.00 175.30 175.11 1whk n TYR 64 N 2.14 0.00 -3.48 5.89 4.02 -1.14 -4.95 117.16 119.64 1whk n TYR 64 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.58 1whk n TYR 64 Cb 0.57 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.66 1whk n TYR 64 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whk s PHE 65 N -2.57 -0.55 -0.42 -0.72 -0.12 -1.17 -3.60 117.98 108.83 1whk s PHE 65 Ca -0.03 0.58 -0.06 0.00 -0.05 0.00 0.00 56.93 57.37 1whk s PHE 65 Cb 0.06 0.48 0.10 0.00 -0.63 0.00 0.00 43.02 43.03 1whk s PHE 65 CO 0.39 -0.75 0.23 0.99 -0.05 0.00 0.00 175.22 176.04 1whk s THR 66 N -2.80 3.74 0.18 -4.49 2.01 -1.26 -4.15 115.64 108.88 1whk s THR 66 Ca -0.03 -1.75 0.01 0.00 0.31 0.00 0.00 61.69 60.23 1whk s THR 66 Cb -0.01 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1whk s THR 66 CO -0.04 -0.61 0.21 0.00 -0.69 0.00 0.00 174.62 173.49 1whk s LYS 68 N -2.57 2.12 -0.14 0.00 3.01 -1.26 -4.46 119.74 116.44 1whk s LYS 68 Ca 0.18 0.11 -0.35 0.00 -1.01 0.00 0.00 55.97 54.91 1whk s LYS 68 Cb 0.00 -1.99 -0.12 0.00 -1.01 0.00 0.00 37.83 34.71 1whk s LYS 68 CO 0.13 -1.47 1.91 -2.30 0.51 0.00 0.00 175.35 174.13 1whk n PRO 69 N -3.22 1.96 -3.23 -1.68 -0.02 -1.26 -2.04 135.00 125.50 1whk n PRO 69 Ca 0.08 0.70 -0.15 0.00 -2.02 0.00 0.00 63.50 62.11 1whk n PRO 69 Cb 0.60 -2.60 0.08 0.00 -0.02 0.00 0.00 33.50 31.56 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 7.03 -3.11 -0.03 2.55 3.02 0.26 -4.89 115.26 120.08 1whk n ASN 70 Ca 0.25 -0.58 -0.04 0.00 -0.03 0.00 0.00 54.58 54.18 1whk n ASN 70 Cb 0.28 -4.69 -0.04 0.00 -0.61 0.00 0.00 39.78 34.72 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 -3.62 0.00 -4.10 3.10 4.02 -0.87 -2.04 117.16 113.66 1whk n TYR 71 Ca -0.21 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.41 1whk n TYR 71 Cb 0.64 -0.29 -0.04 0.00 -0.02 0.00 0.00 39.34 39.63 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 -4.34 2.46 0.14 2.72 0.00 -1.26 -2.00 107.32 105.05 1whk s GLY 72 Ca -0.07 -1.44 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 1whk s GLY 72 CO 0.20 -1.96 0.24 -1.34 0.00 0.00 0.00 173.10 170.23 1whk s VAL 73 N -2.71 0.09 -0.24 1.40 -7.23 -1.23 -3.32 120.40 107.16 1whk s VAL 73 Ca 0.32 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1whk s VAL 73 Cb 0.00 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.23 1whk s VAL 73 CO 0.19 -0.41 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.75 1whk s LEU 74 N -2.95 3.10 0.25 1.32 1.43 -1.26 -1.33 118.68 119.24 1whk s LEU 74 Ca 0.15 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1whk s LEU 74 Cb 0.04 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1whk s LEU 74 CO -0.03 -0.11 0.09 0.68 0.23 0.00 0.00 176.35 177.22 1whk s VAL 75 N 1.35 0.53 0.14 -1.59 -7.23 -1.21 -4.92 120.40 107.46 1whk s VAL 75 Ca 0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1whk s VAL 75 Cb -0.16 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1whk s VAL 75 CO -0.05 -0.04 0.19 -0.13 -0.31 0.00 0.00 175.10 174.76 1whk s ARG 76 N -4.03 3.14 0.18 4.82 0.52 -1.26 0.10 118.95 122.42 1whk s ARG 76 Ca 0.37 -0.70 -0.22 0.00 -0.52 0.00 0.00 55.73 54.65 1whk s ARG 76 Cb 0.08 -2.81 0.10 0.00 0.52 0.00 0.00 34.95 32.84 1whk s ARG 76 CO 0.13 0.52 1.58 -1.35 0.02 0.00 0.00 175.30 176.20 1whk h PRO 77 N 2.52 -0.16 -0.14 3.54 0.11 -1.86 1.52 132.00 137.52 1whk h PRO 77 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1whk h PRO 77 Cb 1.19 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1whk h PRO 77 CO 0.67 -0.11 0.24 0.77 -0.21 0.00 0.00 178.00 179.36 1whk h SER 78 N -0.17 0.00 0.52 -2.05 0.02 -1.97 0.94 113.55 110.85 1whk h SER 78 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1whk h SER 78 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1whk h SER 78 CO -0.71 0.00 -0.51 0.54 -1.14 0.00 0.00 176.83 175.01 1whk n ARG 79 N -3.44 0.02 -4.48 3.45 5.12 0.50 -4.81 116.66 113.02 1whk n ARG 79 Ca 0.01 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 1whk n ARG 79 Cb 0.35 -1.51 -0.17 0.00 -1.16 0.00 0.00 32.46 29.97 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 -3.01 1.57 -0.04 1.55 -7.23 0.33 -2.92 120.40 110.65 1whk s VAL 80 Ca 0.11 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.33 1whk s VAL 80 Cb 0.17 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1whk s VAL 80 CO 0.70 0.46 0.79 -0.89 -0.31 0.00 0.00 175.10 175.85 1whk s THR 81 N 0.97 4.99 -0.15 5.32 2.01 0.15 -4.77 115.64 124.16 1whk s THR 81 Ca -0.06 1.65 -0.04 0.00 0.31 0.00 0.00 61.69 63.55 1whk s THR 81 Cb -0.15 -4.13 0.05 0.00 0.01 0.00 0.00 72.50 68.28 1whk s THR 81 CO -0.02 0.22 0.06 -0.47 -0.69 0.00 0.00 174.62 173.73 1whk s TYR 82 N 0.86 0.49 -0.08 4.92 5.04 -1.26 -1.71 117.35 125.61 1whk s TYR 82 Ca 0.42 -0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 54.60 1whk s TYR 82 Cb -0.19 -0.78 0.03 0.00 0.35 0.00 0.00 41.96 41.37 1whk s TYR 82 CO 0.21 -0.48 0.19 1.03 -1.34 0.00 0.00 175.55 175.16 1whk s ARG 83 N 2.04 0.20 -0.40 4.97 0.52 -1.26 -4.71 118.95 120.31 1whk s ARG 83 Ca 0.02 0.33 0.05 0.00 -0.52 0.00 0.00 55.73 55.60 1whk s ARG 83 Cb -0.15 0.02 0.17 0.00 0.52 0.00 0.00 34.95 35.51 1whk s ARG 83 CO -0.08 -0.07 0.47 0.20 0.02 0.00 0.00 175.30 175.84 1whk s GLY 84 N 0.47 -0.27 0.07 -3.53 0.00 -1.26 -5.07 107.32 97.72 1whk s GLY 84 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1whk s GLY 84 CO -0.02 2.96 0.00 1.39 0.00 0.00 0.00 173.10 177.42 1whk n ILE 85 N 3.92-12.78 -3.42 0.90 2.08 -1.26 -4.96 119.36 103.84 1whk n ILE 85 Ca 0.14 3.04 -0.38 0.00 0.56 0.00 0.00 62.75 66.12 1whk n ILE 85 Cb 0.49 -5.76 -0.06 0.00 -0.75 0.00 0.00 39.64 33.56 1whk n ILE 85 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1whk s SER 86 N -0.54 6.73 0.00 4.38 0.15 -1.26 -4.90 113.70 118.27 1whk s SER 86 Ca 0.00 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1whk s SER 86 Cb 0.00 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1whk s SER 86 CO 0.00 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1whk n GLY 87 N 2.56 -0.85 2.67 9.45 0.00 -1.26 -5.04 105.19 112.71 1whk n GLY 87 Ca -0.11 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1whk n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whk n PRO 88 N 0.00 2.17 0.00 1.61 -0.04 -1.26 -3.93 135.00 133.55 1whk n PRO 88 Ca 0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1whk n PRO 88 Cb 0.00 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1whk n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1whk n SER 89 N 4.77 0.59 -3.33 3.54 3.41 -1.26 -5.02 113.62 116.33 1whk n SER 89 Ca 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.98 1whk n SER 89 Cb 0.20 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1whk n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whk s SER 90 N -4.83 0.67 0.00 4.04 0.01 -1.25 -5.32 113.70 107.02 1whk s SER 90 Ca 0.00 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1whk s SER 90 Cb 0.00 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1whk s SER 90 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94