#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 -5.97 -2.20 1.61 7.64 -1.26 -4.88 113.62 108.57 1whk n SER 2 Ca 0.00 -0.13 -0.28 0.00 1.01 0.00 0.00 58.87 59.47 1whk n SER 2 Cb 0.00 -4.90 0.11 0.00 -1.01 0.00 0.00 64.21 58.41 1whk n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whk n SER 3 N -2.16 5.86 0.00 6.43 3.41 -1.26 -4.86 113.62 121.04 1whk n SER 3 Ca -0.19 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1whk n SER 3 Cb 0.66 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1whk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whk n GLY 4 N -0.83 3.22 2.59 5.00 0.00 -1.26 -5.10 105.19 108.81 1whk n GLY 4 Ca 0.56 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1whk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whk n SER 5 N 0.00 -1.37 0.00 1.61 7.64 -1.26 -4.94 113.62 115.30 1whk n SER 5 Ca 0.00 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1whk n SER 5 Cb 0.00 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 1whk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whk n SER 6 N 0.24 0.00 0.00 6.43 7.64 -1.26 -5.09 113.62 121.58 1whk n SER 6 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1whk n SER 6 Cb 0.71 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 -1.50 0.68 1.46 0.23 0.00 -1.26 -5.03 105.19 99.78 1whk n GLY 7 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1whk n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1whk n GLU 8 N 0.00 -4.18 0.00 1.61 0.00 -1.26 -5.08 120.64 111.73 1whk n GLU 8 Ca 0.00 3.09 0.00 0.00 0.00 0.00 0.00 57.16 60.25 1whk n GLU 8 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 31.44 27.98 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1whk n GLY 9 N -0.62 1.79 3.46 8.31 0.00 -1.26 -5.16 105.19 111.71 1whk n GLY 9 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1whk n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whk s THR 10 N 2.97 2.30 0.00 2.61 -4.23 -1.26 -5.05 115.64 112.98 1whk s THR 10 Ca 0.00 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.18 1whk s THR 10 Cb 0.00 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1whk s THR 10 CO 0.00 -0.39 0.00 0.52 -0.54 0.00 0.00 174.62 174.21 1whk n VAL 11 N -0.62 0.00 -3.87 2.29 0.31 -1.26 -5.11 118.33 110.07 1whk n VAL 11 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.96 1whk n VAL 11 Cb 0.61 -0.28 -0.04 0.00 -0.91 0.00 0.00 33.84 33.21 1whk n VAL 11 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1whk s LYS 12 N -1.68 3.47 0.44 5.55 2.20 -1.26 -5.08 119.74 123.39 1whk s LYS 12 Ca 0.00 -0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 55.01 1whk s LYS 12 Cb 0.00 -3.02 -0.08 0.00 -1.51 0.00 0.00 37.83 33.23 1whk s LYS 12 CO 0.00 0.59 1.22 -0.51 -0.36 0.00 0.00 175.35 176.29 1whk s LEU 13 N -2.45 4.10 -0.34 5.43 1.43 -1.26 -4.97 118.68 120.61 1whk s LEU 13 Ca 0.35 2.45 0.15 0.00 -1.03 0.00 0.00 54.13 56.05 1whk s LEU 13 Cb -0.13 -4.09 0.44 0.00 0.03 0.00 0.00 46.19 42.44 1whk s LEU 13 CO 0.26 -0.89 1.12 1.57 0.23 0.00 0.00 176.35 178.64 1whk n HIS 14 N -0.21 -0.12 -1.45 0.29 -0.00 -1.26 -4.99 115.22 107.48 1whk n HIS 14 Ca 0.06 -2.41 0.15 0.00 0.46 0.00 0.00 57.72 55.98 1whk n HIS 14 Cb 0.46 0.34 -0.08 0.00 -0.12 0.00 0.00 29.99 30.59 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 -0.35 -3.43 -3.08 1.57 4.71 -1.26 -4.90 120.64 113.89 1whk n GLU 15 Ca 0.04 2.79 -0.13 0.00 -0.01 0.00 0.00 57.16 59.84 1whk n GLU 15 Cb 0.83 -3.89 0.06 0.00 -1.01 0.00 0.00 31.44 27.43 1whk n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1whk n GLY 16 N -4.08 -0.11 3.27 0.62 0.00 0.68 -4.95 105.19 100.61 1whk n GLY 16 Ca -0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1whk n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whk s SER 17 N -3.73 0.25 -0.27 1.61 0.15 -1.26 -4.94 113.70 105.51 1whk s SER 17 Ca 0.13 -1.36 0.02 0.00 0.70 0.00 0.00 55.95 55.44 1whk s SER 17 Cb -0.06 0.43 0.07 0.00 -1.71 0.00 0.00 66.02 64.76 1whk s SER 17 CO 0.51 -0.91 -0.04 -1.10 1.20 0.00 0.00 173.24 172.90 1whk s GLN 18 N -4.06 1.73 0.52 5.44 -1.52 -1.26 -1.29 119.66 119.22 1whk s GLN 18 Ca 0.37 -1.31 0.07 0.00 -1.95 0.00 0.00 55.36 52.54 1whk s GLN 18 Cb 0.05 -2.78 0.04 0.00 -0.22 0.00 0.00 33.01 30.10 1whk s GLN 18 CO 0.13 -0.69 0.54 0.14 -0.25 0.00 0.00 175.29 175.16 1whk s VAL 19 N 1.20 2.10 0.02 1.09 -7.23 -0.85 -4.73 120.40 112.01 1whk s VAL 19 Ca -0.02 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1whk s VAL 19 Cb -0.19 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1whk s VAL 19 CO -0.08 0.00 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.46 1whk s LEU 20 N -4.39 2.20 -0.13 1.32 2.96 0.21 -2.14 118.68 118.71 1whk s LEU 20 Ca 0.48 -0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 53.78 1whk s LEU 20 Cb -0.04 0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 1whk s LEU 20 CO 0.29 -0.22 0.52 -0.76 -1.32 0.00 0.00 176.35 174.87 1whk s LEU 21 N -1.20 4.26 -1.06 -0.68 1.43 -1.23 -0.32 118.68 119.86 1whk s LEU 21 Ca -0.11 0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1whk s LEU 21 Cb -0.08 -2.76 0.06 0.00 0.03 0.00 0.00 46.19 43.44 1whk s LEU 21 CO -0.01 -0.06 2.62 0.35 0.23 0.00 0.00 176.35 179.49 1whk n THR 22 N 3.87 4.53 0.09 5.49 -2.24 -1.23 -2.55 114.28 122.25 1whk n THR 22 Ca -0.06 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 1whk n THR 22 Cb 0.51 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 1whk n THR 22 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1whk n SER 23 N 1.77 -1.69 0.03 3.42 3.41 -1.26 -4.95 113.62 114.34 1whk n SER 23 Ca 0.60 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.79 1whk n SER 23 Cb 0.36 1.80 -0.09 0.00 -0.26 0.00 0.00 64.21 66.03 1whk n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whk n SER 24 N -2.96 0.51 -2.46 4.04 7.64 -1.26 -5.04 113.62 114.11 1whk n SER 24 Ca 0.00 0.21 -0.03 0.00 1.01 0.00 0.00 58.87 60.06 1whk n SER 24 Cb 0.00 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1whk n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1whk n ASN 25 N -2.61 -5.90 -3.47 6.43 5.15 -1.06 -5.05 115.26 108.76 1whk n ASN 25 Ca -0.07 0.17 -0.11 0.00 -0.60 0.00 0.00 54.58 53.98 1whk n ASN 25 Cb 0.68 -3.89 -0.10 0.00 -0.53 0.00 0.00 39.78 35.95 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1whk s GLU 26 N -2.49 0.30 0.34 1.20 2.02 -1.26 -4.94 118.70 113.87 1whk s GLU 26 Ca 0.09 0.63 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 1whk s GLU 26 Cb -0.03 -0.33 -0.09 0.00 0.10 0.00 0.00 34.13 33.78 1whk s GLU 26 CO 0.50 -0.51 1.11 -1.64 0.02 0.00 0.00 175.26 174.73 1whk s MET 27 N 2.52 4.37 0.11 1.61 -1.94 -1.26 -3.56 119.30 121.15 1whk s MET 27 Ca 0.08 1.74 -0.07 0.00 -1.71 0.00 0.00 55.69 55.72 1whk s MET 27 Cb -0.14 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.80 1whk s MET 27 CO -0.14 -0.02 0.19 0.00 -0.01 0.00 0.00 175.02 175.05 1whk s ALA 28 N -1.36 0.00 -0.03 3.03 0.00 -0.91 -4.92 121.76 117.58 1whk s ALA 28 Ca 0.51 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1whk s ALA 28 Cb -0.29 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 1whk s ALA 28 CO 0.37 -0.54 0.32 0.99 0.00 0.00 0.00 175.76 176.90 1whk s THR 29 N -3.92 5.19 -0.28 0.00 2.01 -1.25 -2.00 115.64 115.40 1whk s THR 29 Ca 0.11 0.60 -0.25 0.00 0.31 0.00 0.00 61.69 62.45 1whk s THR 29 Cb 0.05 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1whk s THR 29 CO -0.06 0.57 0.87 -0.69 -0.69 0.00 0.00 174.62 174.62 1whk s VAL 30 N -1.09 4.75 -0.10 3.82 1.01 -0.41 -1.92 120.40 126.46 1whk s VAL 30 Ca 0.22 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.74 1whk s VAL 30 Cb -0.15 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 1whk s VAL 30 CO 0.11 -0.22 0.00 0.54 0.00 0.00 0.00 175.10 175.53 1whk n ARG 31 N 6.26 2.05 -4.18 2.72 5.12 -1.09 -0.23 116.66 127.31 1whk n ARG 31 Ca 0.06 0.01 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1whk n ARG 31 Cb 0.48 -1.24 -0.13 0.00 -1.16 0.00 0.00 32.46 30.41 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 -2.22 0.75 -0.24 -1.55 5.04 -1.18 -4.87 117.35 113.08 1whk s TYR 32 Ca -0.07 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.22 1whk s TYR 32 Cb 0.03 -0.46 0.12 0.00 0.35 0.00 0.00 41.96 42.01 1whk s TYR 32 CO 0.35 -0.03 0.31 0.08 -1.34 0.00 0.00 175.55 174.93 1whk s VAL 33 N -0.80 -0.48 -5.00 3.14 1.01 -1.26 -1.46 120.40 115.55 1whk s VAL 33 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1whk s VAL 33 Cb -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1whk s VAL 33 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1whk n GLY 34 N 5.34 -1.41 2.52 4.51 0.00 -1.01 -5.03 105.19 110.12 1whk n GLY 34 Ca -0.04 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1whk n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whk n PRO 35 N -0.05 -1.89 -3.54 1.61 -0.02 -1.24 -2.64 135.00 127.23 1whk n PRO 35 Ca 0.00 -0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 60.59 1whk n PRO 35 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 1whk n PRO 35 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1whk n THR 36 N -4.38 0.00 -0.07 3.45 -2.24 -1.26 -4.73 114.28 105.05 1whk n THR 36 Ca 0.07 -1.60 -0.09 0.00 -2.27 0.00 0.00 64.05 60.16 1whk n THR 36 Cb 0.30 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.92 2.58 -0.01 3.42 2.03 -1.26 -4.65 116.55 116.75 1whk n ASP 37 Ca 0.01 -0.05 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 1whk n ASP 37 Cb 0.40 0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 40.79 1whk n ASP 37 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1whk h PHE 38 N 0.00 0.11 -3.99 -0.67 -0.00 -1.99 -3.49 116.94 106.92 1whk h PHE 38 Ca -0.33 -0.08 0.00 0.00 -0.00 0.00 0.00 57.97 57.56 1whk h PHE 38 Cb 1.59 -0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.54 1whk h PHE 38 CO 0.01 1.15 0.00 0.00 -0.00 0.00 0.00 178.31 179.48 1whk n ALA 39 N -2.62 0.00 -3.62 12.09 0.00 -1.26 -5.15 120.51 119.95 1whk n ALA 39 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1whk n ALA 39 Cb 1.04 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.35 1whk n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whk s SER 40 N -0.98 0.82 0.00 0.00 0.15 -1.26 -4.27 113.70 108.15 1whk s SER 40 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1whk s SER 40 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1whk s SER 40 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1whk n GLY 41 N 5.33 0.13 3.20 9.45 0.00 -1.26 -5.02 105.19 117.03 1whk n GLY 41 Ca -0.05 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.00 4.14 0.36 -0.61 1.01 -1.26 -3.61 121.20 117.23 1whk s ILE 42 Ca 0.00 -1.81 0.08 0.00 0.00 0.00 0.00 60.65 58.92 1whk s ILE 42 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1whk s ILE 42 CO 0.00 -0.77 0.17 0.26 0.00 0.00 0.00 174.94 174.60 1whk s TRP 43 N 1.34 2.70 -0.06 3.97 0.52 -1.08 -4.00 118.94 122.32 1whk s TRP 43 Ca 0.06 -0.42 -0.01 0.00 0.02 0.00 0.00 56.10 55.76 1whk s TRP 43 Cb -0.26 -1.73 0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1whk s TRP 43 CO -0.01 0.28 -0.02 -0.51 0.02 0.00 0.00 176.95 176.71 1whk s LEU 44 N -3.88 0.87 -1.24 2.99 1.43 0.02 -2.39 118.68 116.48 1whk s LEU 44 Ca 0.39 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 1whk s LEU 44 Cb -0.02 -0.46 0.12 0.00 0.03 0.00 0.00 46.19 45.86 1whk s LEU 44 CO 0.23 -0.14 1.57 -0.83 0.23 0.00 0.00 176.35 177.41 1whk s GLY 45 N 1.61 2.02 0.98 -3.19 0.00 -0.54 -2.97 107.32 105.24 1whk s GLY 45 Ca -0.00 -3.12 -0.12 0.00 0.00 0.00 0.00 44.72 41.48 1whk s GLY 45 CO -0.04 2.38 1.08 1.08 0.00 0.00 0.00 173.10 177.61 1whk s LEU 46 N 2.91 1.77 -0.28 0.66 1.43 -0.95 -2.68 118.68 121.54 1whk s LEU 46 Ca 0.48 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1whk s LEU 46 Cb 0.00 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.73 1whk s LEU 46 CO 0.03 -3.13 0.36 -0.70 0.23 0.00 0.00 176.35 173.15 1whk s GLU 47 N -4.85 0.37 0.91 1.70 2.12 -0.81 -3.28 118.70 114.85 1whk s GLU 47 Ca 0.65 0.14 -0.12 0.00 0.36 0.00 0.00 54.97 56.00 1whk s GLU 47 Cb -0.20 -0.47 0.14 0.00 0.26 0.00 0.00 34.13 33.86 1whk s GLU 47 CO 0.59 -0.94 1.14 -0.51 -0.54 0.00 0.00 175.26 174.99 1whk s LEU 48 N 2.49 2.04 -0.40 2.70 1.43 -1.04 -3.80 118.68 122.10 1whk s LEU 48 Ca 0.10 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1whk s LEU 48 Cb -0.14 -3.27 0.57 0.00 0.03 0.00 0.00 46.19 43.38 1whk s LEU 48 CO -0.27 -2.52 1.70 -1.14 0.23 0.00 0.00 176.35 174.35 1whk n ARG 49 N -3.74 2.16 -3.83 1.70 0.63 -1.26 -4.73 116.66 107.58 1whk n ARG 49 Ca 0.07 -3.17 -0.06 0.00 -0.92 0.00 0.00 57.85 53.77 1whk n ARG 49 Cb 0.59 -2.04 0.01 0.00 0.45 0.00 0.00 32.46 31.48 1whk n ARG 49 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1whk s SER 50 N -1.98 -0.05 -1.09 6.15 1.04 -1.26 -5.09 113.70 111.41 1whk s SER 50 Ca 0.52 -0.86 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 1whk s SER 50 Cb 0.45 0.69 0.24 0.00 0.10 0.00 0.00 66.02 67.50 1whk s SER 50 CO 0.05 -1.36 1.16 0.00 0.98 0.00 0.00 173.24 174.07 1whk s ALA 51 N -2.59 4.40 -0.15 5.32 0.00 -1.26 -4.26 121.76 123.22 1whk s ALA 51 Ca 0.16 -3.60 0.21 0.00 0.00 0.00 0.00 51.96 48.74 1whk s ALA 51 Cb -0.04 -3.74 0.43 0.00 0.00 0.00 0.00 23.12 19.77 1whk s ALA 51 CO 0.08 -2.40 1.16 1.63 0.00 0.00 0.00 175.76 176.23 1whk n LYS 52 N 3.84 0.90 -1.38 0.00 4.01 -1.01 -4.98 118.16 119.55 1whk n LYS 52 Ca 0.26 -2.52 0.00 0.00 -0.51 0.00 0.00 58.31 55.54 1whk n LYS 52 Cb 0.42 -0.64 0.00 0.00 -0.51 0.00 0.00 35.03 34.29 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1whk n GLY 53 N -0.22 4.75 1.29 0.72 0.00 -1.03 -4.98 105.19 105.72 1whk n GLY 53 Ca 0.02 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 1.02 -3.93 1.61 5.02 -1.25 -4.69 118.16 115.94 1whk n LYS 54 Ca 0.00 -2.79 -0.11 0.00 -2.02 0.00 0.00 58.31 53.40 1whk n LYS 54 Cb 0.00 -0.93 -0.12 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 -2.75 0.13 -0.14 4.39 0.01 -1.22 -4.91 114.94 110.46 1whk s ASN 55 Ca 0.36 -0.25 0.13 0.00 -0.71 0.00 0.00 52.86 52.39 1whk s ASN 55 Cb 0.38 0.05 -0.24 0.00 0.41 0.00 0.00 41.25 41.85 1whk s ASN 55 CO -0.11 -0.15 0.30 -0.90 -1.51 0.00 0.00 177.10 174.74 1whk n ASP 56 N 2.33 0.60 0.00 -1.22 5.75 -1.26 0.33 116.55 123.07 1whk n ASP 56 Ca -0.18 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1whk n ASP 56 Cb 0.57 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 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 1.72 0.74 3.16 6.12 0.00 -1.26 -4.00 105.19 111.66 1whk n GLY 57 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 1.23 -0.21 4.61 0.00 -1.26 -3.34 121.76 122.78 1whk s ALA 58 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1whk s ALA 58 Cb 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.00 1whk s ALA 58 CO 0.00 0.23 0.10 0.08 0.00 0.00 0.00 175.76 176.17 1whk s VAL 59 N -0.89 0.02 0.00 0.00 1.01 -1.15 -5.06 120.40 114.33 1whk s VAL 59 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1whk s VAL 59 Cb -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1whk s VAL 59 CO 0.01 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.31 1whk n GLY 60 N 5.23 0.64 1.42 4.51 0.00 -1.26 -3.95 105.19 111.79 1whk n GLY 60 Ca -0.07 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 3.44 2.75 -3.84 1.61 9.92 -1.26 -4.99 116.55 124.19 1whk n ASP 61 Ca 0.00 -3.76 -0.09 0.00 -0.53 0.00 0.00 54.79 50.41 1whk n ASP 61 Cb 0.00 -0.69 -0.07 0.00 -0.64 0.00 0.00 41.12 39.73 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 -3.27 0.95 0.31 -1.24 2.20 -1.25 -5.07 119.74 112.36 1whk s LYS 62 Ca 0.48 -0.95 0.10 0.00 -0.36 0.00 0.00 55.97 55.24 1whk s LYS 62 Cb 0.43 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 37.07 1whk s LYS 62 CO 0.02 -0.33 -0.10 0.50 -0.36 0.00 0.00 175.35 175.08 1whk s ARG 63 N -3.87 1.87 0.00 4.03 6.06 -1.26 -2.92 118.95 122.86 1whk s ARG 63 Ca 0.07 -1.77 0.00 0.00 -2.50 0.00 0.00 55.73 51.53 1whk s ARG 63 Cb 0.04 -1.83 0.00 0.00 0.06 0.00 0.00 34.95 33.21 1whk s ARG 63 CO -0.09 0.25 0.00 0.66 -2.50 0.00 0.00 175.30 173.62 1whk n TYR 64 N -0.77 0.00 -3.89 5.12 4.01 -1.23 -5.01 117.16 115.39 1whk n TYR 64 Ca -0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.60 1whk n TYR 64 Cb 0.61 0.30 -0.07 0.00 -0.31 0.00 0.00 39.34 39.87 1whk n TYR 64 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1whk s PHE 65 N -1.75 0.23 -0.36 -0.72 -0.12 -1.21 -4.25 117.98 109.79 1whk s PHE 65 Ca 0.00 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.23 1whk s PHE 65 Cb 0.00 -0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1whk s PHE 65 CO 0.00 -0.58 0.11 -0.08 -0.05 0.00 0.00 175.22 174.62 1whk s THR 66 N -3.89 2.91 0.09 -4.49 -1.32 -1.26 -4.47 115.64 103.21 1whk s THR 66 Ca 0.08 -1.99 0.01 0.00 -1.21 0.00 0.00 61.69 58.58 1whk s THR 66 Cb 0.05 -2.96 -0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1whk s THR 66 CO -0.08 -0.53 0.09 0.00 -2.21 0.00 0.00 174.62 171.89 1whk s LYS 68 N -2.31 2.01 0.12 0.00 -0.14 -1.26 -4.67 119.74 113.49 1whk s LYS 68 Ca 0.10 -0.03 -0.31 0.00 -1.36 0.00 0.00 55.97 54.37 1whk s LYS 68 Cb 0.00 -2.02 -0.10 0.00 -1.68 0.00 0.00 37.83 34.03 1whk s LYS 68 CO 0.07 -1.49 1.83 -2.14 -0.76 0.00 0.00 175.35 172.85 1whk s PRO 69 N -5.47 4.14 -1.07 -1.68 0.02 -1.26 -2.75 135.00 126.93 1whk s PRO 69 Ca 0.62 2.58 -0.01 0.00 0.02 0.00 0.00 61.00 64.21 1whk s PRO 69 Cb -0.11 -3.61 -0.01 0.00 0.02 0.00 0.00 34.50 30.78 1whk s PRO 69 CO 0.48 -0.84 0.90 0.09 -0.33 0.00 0.00 177.00 177.29 1whk n ASN 70 N 5.74 -2.94 0.00 2.53 3.02 0.15 -4.88 115.26 118.89 1whk n ASN 70 Ca 0.18 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1whk n ASN 70 Cb 0.38 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.69 0.00 -2.59 3.10 4.02 -0.42 -2.40 117.16 115.18 1whk n TYR 71 Ca -0.22 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.45 1whk n TYR 71 Cb 0.65 0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.03 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 -4.19 1.79 -0.09 2.72 0.00 -1.23 -2.51 107.32 103.82 1whk s GLY 72 Ca 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 44.72 43.16 1whk s GLY 72 CO 0.00 -1.04 0.33 -1.34 0.00 0.00 0.00 173.10 171.04 1whk s VAL 73 N -2.92 0.02 -0.27 1.40 -7.23 -1.21 -3.43 120.40 106.77 1whk s VAL 73 Ca 0.60 -0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.49 1whk s VAL 73 Cb -0.09 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 1whk s VAL 73 CO 0.41 -0.10 0.18 -0.76 -0.31 0.00 0.00 175.10 174.53 1whk s LEU 74 N -0.37 4.04 0.06 1.32 1.43 -1.26 -2.25 118.68 121.65 1whk s LEU 74 Ca -0.05 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1whk s LEU 74 Cb -0.03 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1whk s LEU 74 CO 0.02 -0.02 0.03 0.68 0.23 0.00 0.00 176.35 177.29 1whk s VAL 75 N 1.58 0.19 0.08 -1.59 -7.23 -1.16 -4.98 120.40 107.29 1whk s VAL 75 Ca 0.07 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1whk s VAL 75 Cb -0.15 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1whk s VAL 75 CO 0.09 -0.86 0.25 -0.13 -0.31 0.00 0.00 175.10 174.15 1whk s ARG 76 N -3.64 3.49 0.17 4.82 0.52 -1.26 -0.80 118.95 122.25 1whk s ARG 76 Ca 0.04 -0.33 -0.25 0.00 -0.52 0.00 0.00 55.73 54.68 1whk s ARG 76 Cb 0.05 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.57 1whk s ARG 76 CO -0.09 0.58 1.58 -1.35 0.02 0.00 0.00 175.30 176.03 1whk h PRO 77 N 3.08 -0.25 -0.12 3.54 0.11 -1.89 1.29 132.00 137.77 1whk h PRO 77 Ca -0.46 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.71 1whk h PRO 77 Cb 1.16 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1whk h PRO 77 CO 0.74 -0.16 0.19 1.03 -0.21 0.00 0.00 178.00 179.59 1whk h SER 78 N -0.26 0.00 0.73 -2.05 0.87 -1.95 0.92 113.55 111.81 1whk h SER 78 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1whk h SER 78 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1whk h SER 78 CO -0.62 0.00 -0.43 0.54 -0.53 0.00 0.00 176.83 175.79 1whk n ARG 79 N -3.53 0.09 -4.67 2.24 5.12 0.41 -4.91 116.66 111.41 1whk n ARG 79 Ca 0.00 0.03 -0.31 0.00 -1.93 0.00 0.00 57.85 55.65 1whk n ARG 79 Cb 0.29 -1.56 -0.07 0.00 -1.16 0.00 0.00 32.46 29.95 1whk n ARG 79 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1whk n VAL 80 N -1.70 0.00 -3.89 1.55 0.24 0.32 -3.52 118.33 111.33 1whk n VAL 80 Ca 0.05 -2.50 -0.10 0.00 -2.04 0.00 0.00 64.34 59.76 1whk n VAL 80 Cb 0.37 0.68 -0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1whk n VAL 80 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1whk s THR 81 N -3.02 0.00 0.00 3.34 -4.23 0.56 -4.84 115.64 107.45 1whk s THR 81 Ca 0.10 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1whk s THR 81 Cb 0.00 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1whk s THR 81 CO 0.07 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.15 1whk n TYR 82 N -0.52 0.00 -3.46 3.99 4.11 -1.26 0.64 117.16 120.66 1whk n TYR 82 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.72 1whk n TYR 82 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.91 1whk n TYR 82 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1whk s ARG 83 N -0.69 1.14 0.00 -3.48 3.52 -1.26 -4.95 118.95 113.23 1whk s ARG 83 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1whk s ARG 83 Cb 0.00 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 1whk s ARG 83 CO 0.00 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.43 1whk n GLY 84 N -0.09 2.92 3.15 8.12 0.00 -1.26 -4.99 105.19 113.04 1whk n GLY 84 Ca -0.16 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 2.59 0.12 -0.61 -4.36 -1.26 -4.95 121.20 112.72 1whk s ILE 85 Ca 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 1whk s ILE 85 Cb 0.00 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.34 1whk s ILE 85 CO 0.00 0.14 0.00 -0.24 0.24 0.00 0.00 174.94 175.08 1whk n SER 86 N 4.59 -8.77 -4.65 4.36 2.88 -1.26 -4.94 113.62 105.84 1whk n SER 86 Ca -0.16 1.49 -0.30 0.00 -1.33 0.00 0.00 58.87 58.57 1whk n SER 86 Cb 0.45 -4.86 -0.09 0.00 -0.75 0.00 0.00 64.21 58.96 1whk n SER 86 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whk s GLY 87 N -0.52 1.86 0.99 0.46 0.00 -1.26 -4.84 107.32 104.02 1whk s GLY 87 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 44.72 43.46 1whk s GLY 87 CO 0.00 -1.08 0.40 -1.05 0.00 0.00 0.00 173.10 171.37 1whk n PRO 88 N 0.79 -0.68 -3.15 2.90 -0.02 -1.26 -5.03 135.00 128.54 1whk n PRO 88 Ca -0.12 -0.16 0.04 0.00 -2.02 0.00 0.00 63.50 61.23 1whk n PRO 88 Cb 0.52 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1whk n PRO 88 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1whk s SER 89 N -2.04 -1.59 0.19 2.55 1.04 -1.26 -5.16 113.70 107.42 1whk s SER 89 Ca 0.58 0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.97 1whk s SER 89 Cb -0.19 2.00 0.02 0.00 0.10 0.00 0.00 66.02 67.95 1whk s SER 89 CO 0.66 -0.28 0.45 -0.44 0.98 0.00 0.00 173.24 174.61 1whk s SER 90 N 2.75 -0.16 0.00 7.02 0.01 -1.26 -5.36 113.70 116.70 1whk s SER 90 Ca 0.11 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1whk s SER 90 Cb -0.09 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1whk s SER 90 CO -0.24 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.01