#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 -1.00 -0.08 1.61 1.04 -1.26 -5.15 113.70 108.86 1whk s SER 2 Ca 0.00 1.38 0.01 0.00 0.48 0.00 0.00 55.95 57.82 1whk s SER 2 Cb 0.00 2.11 0.02 0.00 0.10 0.00 0.00 66.02 68.25 1whk s SER 2 CO 0.00 -0.19 -0.08 -0.55 0.98 0.00 0.00 173.24 173.39 1whk s SER 3 N 2.74 1.73 0.00 7.02 0.15 -1.26 -4.87 113.70 119.20 1whk s SER 3 Ca -0.05 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1whk s SER 3 Cb -0.10 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1whk s SER 3 CO -0.19 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1whk n GLY 4 N 4.32 2.44 3.27 9.45 0.00 -1.26 -4.97 105.19 118.44 1whk n GLY 4 Ca -0.19 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1whk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk s SER 5 N 0.00 2.79 -0.21 1.61 0.01 -1.26 -5.03 113.70 111.61 1whk s SER 5 Ca 0.00 -0.43 0.11 0.00 1.31 0.00 0.00 55.95 56.94 1whk s SER 5 Cb 0.00 -0.31 0.43 0.00 0.21 0.00 0.00 66.02 66.34 1whk s SER 5 CO 0.00 0.29 1.21 -1.54 0.41 0.00 0.00 173.24 173.62 1whk n SER 6 N 2.50 2.10 0.00 2.44 3.41 -1.26 -4.92 113.62 117.89 1whk n SER 6 Ca -0.16 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.67 1whk n SER 6 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1whk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whk n GLY 7 N -0.99 2.12 3.15 5.00 0.00 -1.26 -5.13 105.19 108.08 1whk n GLY 7 Ca 0.22 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.45 1whk n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1whk s GLU 8 N 4.40 0.56 0.00 1.61 2.12 -1.26 -4.98 118.70 121.15 1whk s GLU 8 Ca 0.00 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1whk s GLU 8 Cb 0.00 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1whk s GLU 8 CO 0.00 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.12 1whk n GLY 9 N 5.25 0.54 3.76 -1.50 0.00 -1.26 -5.05 105.19 106.92 1whk n GLY 9 Ca 0.06 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1whk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whk s THR 10 N -1.29 3.15 -1.17 2.61 2.01 -1.26 -4.80 115.64 114.89 1whk s THR 10 Ca 0.00 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 1whk s THR 10 Cb 0.00 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.64 1whk s THR 10 CO 0.00 -0.43 1.73 -0.69 -0.69 0.00 0.00 174.62 174.53 1whk s VAL 11 N -2.67 3.89 0.22 3.82 1.01 -1.26 -4.91 120.40 120.50 1whk s VAL 11 Ca 0.64 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1whk s VAL 11 Cb -0.19 -4.92 -0.05 0.00 0.00 0.00 0.00 36.38 31.22 1whk s VAL 11 CO 0.51 -1.69 0.05 -0.75 0.00 0.00 0.00 175.10 173.22 1whk s LYS 12 N 5.14 1.28 0.90 2.72 2.47 -1.26 -4.98 119.74 126.02 1whk s LYS 12 Ca 0.56 -1.66 -0.14 0.00 -1.56 0.00 0.00 55.97 53.18 1whk s LYS 12 Cb 0.01 -0.29 0.14 0.00 -1.46 0.00 0.00 37.83 36.23 1whk s LYS 12 CO 0.04 -0.21 1.21 -0.51 0.16 0.00 0.00 175.35 176.03 1whk s LEU 13 N -3.25 2.33 -0.16 5.43 1.43 -1.26 -5.03 118.68 118.17 1whk s LEU 13 Ca 0.31 0.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1whk s LEU 13 Cb 0.07 -2.96 0.20 0.00 0.03 0.00 0.00 46.19 43.53 1whk s LEU 13 CO 0.09 -2.42 1.08 1.57 0.23 0.00 0.00 176.35 176.90 1whk n HIS 14 N -3.64 -1.00 -2.19 0.29 -0.00 -1.26 -5.11 115.22 102.31 1whk n HIS 14 Ca 0.10 -0.95 0.00 0.00 0.46 0.00 0.00 57.72 57.33 1whk n HIS 14 Cb 0.60 1.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.47 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 -0.75 -5.15 0.00 1.57 1.02 -1.26 -4.97 120.64 111.10 1whk n GLU 15 Ca -0.15 3.72 0.00 0.00 -0.02 0.00 0.00 57.16 60.71 1whk n GLU 15 Cb 0.71 -4.40 0.00 0.00 -0.02 0.00 0.00 31.44 27.73 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 1.79 0.74 3.42 0.62 0.00 -0.76 -5.01 105.19 106.00 1whk n GLY 16 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.51 -0.22 -0.09 1.61 0.01 -1.26 -4.96 113.70 108.28 1whk s SER 17 Ca 0.00 -0.46 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 1whk s SER 17 Cb 0.00 0.52 -0.05 0.00 0.21 0.00 0.00 66.02 66.70 1whk s SER 17 CO 0.00 -0.95 0.30 -1.10 0.41 0.00 0.00 173.24 171.90 1whk s GLN 18 N -3.86 3.96 -0.04 12.44 -1.52 -1.26 -0.84 119.66 128.55 1whk s GLN 18 Ca 0.08 0.17 -0.03 0.00 -1.95 0.00 0.00 55.36 53.63 1whk s GLN 18 Cb 0.01 -3.30 0.02 0.00 -0.22 0.00 0.00 33.01 29.51 1whk s GLN 18 CO -0.06 0.51 0.09 0.14 -0.25 0.00 0.00 175.29 175.72 1whk s VAL 19 N -0.39 -0.02 0.23 1.09 -7.23 -0.22 -4.88 120.40 108.99 1whk s VAL 19 Ca 0.19 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1whk s VAL 19 Cb -0.14 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 1whk s VAL 19 CO 0.07 0.02 0.42 -0.22 -0.31 0.00 0.00 175.10 175.08 1whk s LEU 20 N 0.36 4.20 -0.04 1.32 2.96 -0.93 -0.86 118.68 125.69 1whk s LEU 20 Ca -0.03 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1whk s LEU 20 Cb -0.04 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1whk s LEU 20 CO -0.01 -0.09 0.16 -0.76 -1.32 0.00 0.00 176.35 174.33 1whk s LEU 21 N -3.62 4.34 -0.46 -0.68 1.43 -1.23 -0.96 118.68 117.51 1whk s LEU 21 Ca 0.38 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1whk s LEU 21 Cb -0.10 -2.46 0.62 0.00 0.03 0.00 0.00 46.19 44.28 1whk s LEU 21 CO 0.30 0.30 1.91 0.35 0.23 0.00 0.00 176.35 179.44 1whk n THR 22 N 1.22 3.19 0.00 5.49 -2.24 -1.24 -3.09 114.28 117.61 1whk n THR 22 Ca -0.13 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1whk n THR 22 Cb 0.53 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.06 0.00 0.02 3.42 7.64 -1.26 -4.90 113.62 117.48 1whk n SER 23 Ca 0.58 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.52 1whk n SER 23 Cb 1.51 0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 64.67 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 -2.24 0.40 -2.62 6.43 7.64 -1.26 -5.00 113.62 116.96 1whk n SER 24 Ca 0.00 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 59.90 1whk n SER 24 Cb 0.00 1.09 0.06 0.00 -1.01 0.00 0.00 64.21 64.35 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 -2.56 -3.51 -3.78 6.43 5.15 -1.18 -5.03 115.26 110.78 1whk n ASN 25 Ca -0.08 -0.39 -0.22 0.00 -0.60 0.00 0.00 54.58 53.29 1whk n ASN 25 Cb 0.70 -3.61 -0.17 0.00 -0.53 0.00 0.00 39.78 36.17 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 -5.41 0.51 0.71 1.20 0.41 -1.26 -4.92 118.70 109.95 1whk s GLU 26 Ca 0.20 0.11 -0.15 0.00 -0.41 0.00 0.00 54.97 54.73 1whk s GLU 26 Cb -0.09 -0.84 0.03 0.00 -1.78 0.00 0.00 34.13 31.45 1whk s GLU 26 CO 0.49 -0.26 1.16 -1.64 -0.49 0.00 0.00 175.26 174.52 1whk s MET 27 N 1.77 2.34 0.10 1.61 -1.94 -1.26 -3.50 119.30 118.41 1whk s MET 27 Ca 0.01 1.57 -0.18 0.00 -1.71 0.00 0.00 55.69 55.39 1whk s MET 27 Cb -0.13 -1.88 0.04 0.00 2.01 0.00 0.00 34.83 34.88 1whk s MET 27 CO -0.04 -1.64 0.44 0.00 -0.01 0.00 0.00 175.02 173.77 1whk s ALA 28 N -2.20 -1.06 -0.10 3.03 0.00 -0.04 -4.83 121.76 116.55 1whk s ALA 28 Ca 0.70 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 1whk s ALA 28 Cb -0.25 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 1whk s ALA 28 CO 0.45 -0.58 0.23 0.99 0.00 0.00 0.00 175.76 176.85 1whk s THR 29 N -3.26 5.34 -0.16 0.00 2.01 -1.22 -1.06 115.64 117.29 1whk s THR 29 Ca -0.01 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 1whk s THR 29 Cb 0.01 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 1whk s THR 29 CO -0.08 0.55 1.06 -0.69 -0.69 0.00 0.00 174.62 174.77 1whk s VAL 30 N -0.64 4.64 -0.10 3.82 1.01 -0.02 -1.24 120.40 127.87 1whk s VAL 30 Ca 0.17 1.95 0.07 0.00 0.00 0.00 0.00 61.98 64.17 1whk s VAL 30 Cb -0.13 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 1whk s VAL 30 CO 0.06 -0.09 0.01 0.54 0.00 0.00 0.00 175.10 175.62 1whk n ARG 31 N 5.73 2.18 -3.82 2.72 5.12 -0.84 -1.82 116.66 125.93 1whk n ARG 31 Ca 0.11 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 1whk n ARG 31 Cb 0.47 -1.24 -0.14 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.23 -0.04 -0.06 -1.55 6.14 -1.22 -4.87 117.35 113.53 1whk s TYR 32 Ca -0.06 0.15 0.01 0.00 0.64 0.00 0.00 57.07 57.81 1whk s TYR 32 Cb 0.03 -0.07 0.02 0.00 0.42 0.00 0.00 41.96 42.36 1whk s TYR 32 CO 0.37 -0.06 -0.06 0.08 0.64 0.00 0.00 175.55 176.52 1whk s VAL 33 N 0.45 0.73 -5.00 3.14 1.01 -1.26 0.51 120.40 119.97 1whk s VAL 33 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1whk s VAL 33 Cb -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1whk s VAL 33 CO -0.01 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1whk n GLY 34 N 4.14 0.12 3.71 4.51 0.00 -0.92 -5.00 105.19 111.74 1whk n GLY 34 Ca -0.22 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 1whk n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 35 N -2.00 0.86 0.12 1.61 0.04 -1.25 -0.68 135.00 133.70 1whk s PRO 35 Ca 0.00 0.62 0.05 0.00 0.04 0.00 0.00 61.00 61.71 1whk s PRO 35 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1whk s PRO 35 CO 0.00 -2.47 -0.13 0.95 0.04 0.00 0.00 177.00 175.39 1whk s THR 36 N -2.98 1.25 -0.00 1.26 -4.23 -1.26 -4.81 115.64 104.87 1whk s THR 36 Ca 0.64 -1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1whk s THR 36 Cb -0.18 -1.53 -0.34 0.00 1.34 0.00 0.00 72.50 71.79 1whk s THR 36 CO 0.57 -0.47 0.95 -0.78 -0.54 0.00 0.00 174.62 174.35 1whk h ASP 37 N 3.46 0.71 -0.35 3.99 1.82 -1.98 -3.34 116.42 120.73 1whk h ASP 37 Ca -0.39 -0.93 -0.16 0.00 -0.39 0.00 0.00 57.03 55.16 1whk h ASP 37 Cb 1.19 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 1whk h ASP 37 CO 0.52 1.60 -0.41 2.19 -1.61 0.00 0.00 179.24 181.53 1whk h PHE 38 N -0.05 1.08 -5.02 0.28 -0.00 -1.97 -3.46 116.94 107.80 1whk h PHE 38 Ca -0.22 -0.34 -0.36 0.00 -0.00 0.00 0.00 57.97 57.05 1whk h PHE 38 Cb 1.98 -0.22 -0.04 0.00 -0.00 0.00 0.00 35.95 37.67 1whk h PHE 38 CO 0.15 1.16 -0.19 0.00 -0.00 0.00 0.00 178.31 179.44 1whk n ALA 39 N -2.54 0.46 -2.60 12.09 0.00 -1.25 -5.15 120.51 121.51 1whk n ALA 39 Ca -0.03 -1.35 -0.22 0.00 0.00 0.00 0.00 53.44 51.85 1whk n ALA 39 Cb 0.56 0.59 -0.13 0.00 0.00 0.00 0.00 19.45 20.47 1whk n ALA 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1whk s SER 40 N -2.90 1.97 0.00 0.00 1.04 -1.26 -4.22 113.70 108.34 1whk s SER 40 Ca 0.15 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1whk s SER 40 Cb -0.01 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1whk s SER 40 CO 0.09 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1whk n GLY 41 N 1.67 0.77 3.19 7.32 0.00 -1.26 -4.93 105.19 111.95 1whk n GLY 41 Ca -0.19 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 1.41 0.23 -0.61 1.01 -1.26 -3.78 121.20 118.20 1whk s ILE 42 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1whk s ILE 42 Cb 0.00 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1whk s ILE 42 CO 0.00 0.22 0.26 0.26 0.00 0.00 0.00 174.94 175.68 1whk s TRP 43 N -0.67 0.93 -0.11 3.97 0.52 0.14 -4.46 118.94 119.26 1whk s TRP 43 Ca 0.06 -1.18 -0.02 0.00 0.02 0.00 0.00 56.10 54.98 1whk s TRP 43 Cb -0.08 -0.31 0.04 0.00 -1.15 0.00 0.00 33.47 31.98 1whk s TRP 43 CO 0.01 -0.79 0.01 -0.51 0.02 0.00 0.00 176.95 175.69 1whk s LEU 44 N -3.13 0.79 -1.16 2.99 1.43 0.70 -2.17 118.68 118.12 1whk s LEU 44 Ca 0.33 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 1whk s LEU 44 Cb 0.04 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 1whk s LEU 44 CO 0.12 -0.23 1.94 0.61 0.23 0.00 0.00 176.35 179.02 1whk n GLY 45 N 5.11 2.44 3.75 -3.19 0.00 0.18 -3.46 105.19 110.03 1whk n GLY 45 Ca -0.08 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 5.12 3.25 -0.21 0.99 1.43 -0.98 -1.99 118.68 126.30 1whk s LEU 46 Ca 0.58 2.04 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1whk s LEU 46 Cb 0.07 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.81 1whk s LEU 46 CO 0.08 -1.96 0.09 -0.70 0.23 0.00 0.00 176.35 174.08 1whk s GLU 47 N -4.29 0.21 1.04 1.70 2.12 -0.37 -2.97 118.70 116.13 1whk s GLU 47 Ca 0.67 -0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.54 1whk s GLU 47 Cb -0.22 -1.71 0.24 0.00 0.26 0.00 0.00 34.13 32.70 1whk s GLU 47 CO 0.47 -0.77 1.31 -0.51 -0.54 0.00 0.00 175.26 175.23 1whk s LEU 48 N 2.07 2.39 -0.19 2.70 1.43 -1.06 -3.44 118.68 122.58 1whk s LEU 48 Ca 0.04 0.22 0.15 0.00 -1.03 0.00 0.00 54.13 53.50 1whk s LEU 48 Cb -0.16 -2.11 -0.24 0.00 0.03 0.00 0.00 46.19 43.71 1whk s LEU 48 CO -0.16 -3.15 0.11 -1.14 0.23 0.00 0.00 176.35 172.24 1whk n ARG 49 N -4.04 0.68 -3.87 1.70 0.00 -1.26 -4.84 116.66 105.03 1whk n ARG 49 Ca 0.16 0.06 -0.26 0.00 -0.00 0.00 0.00 57.85 57.81 1whk n ARG 49 Cb 0.59 -1.56 -0.01 0.00 0.00 0.00 0.00 32.46 31.48 1whk n ARG 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1whk n SER 50 N -2.87 2.80 -4.40 6.15 7.64 -1.26 -5.09 113.62 116.58 1whk n SER 50 Ca -0.33 -2.88 -0.44 0.00 1.01 0.00 0.00 58.87 56.23 1whk n SER 50 Cb 1.12 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 64.27 1whk n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whk s ALA 51 N -2.78 3.46 -0.01 -0.43 0.00 -1.26 -4.50 121.76 116.23 1whk s ALA 51 Ca 0.26 -2.03 0.06 0.00 0.00 0.00 0.00 51.96 50.26 1whk s ALA 51 Cb -0.02 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 19.88 1whk s ALA 51 CO 0.17 -2.04 1.05 1.63 0.00 0.00 0.00 175.76 176.57 1whk n LYS 52 N 5.92 0.05 0.00 0.00 4.76 -0.56 -4.96 118.16 123.37 1whk n LYS 52 Ca -0.09 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.11 1whk n LYS 52 Cb 0.44 0.37 0.00 0.00 -1.84 0.00 0.00 35.03 34.00 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whk n GLY 53 N 0.06 2.58 1.39 0.72 0.00 -0.91 -4.99 105.19 104.04 1whk n GLY 53 Ca -0.20 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -1.01 1.61 4.76 -1.23 -4.87 118.16 117.43 1whk n LYS 54 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1whk n LYS 54 Cb 0.00 -0.04 0.23 0.00 -1.84 0.00 0.00 35.03 33.38 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 -2.47 1.07 -0.08 4.39 0.01 -1.26 -4.13 114.94 112.48 1whk s ASN 55 Ca 0.00 0.81 0.22 0.00 -0.71 0.00 0.00 52.86 53.17 1whk s ASN 55 Cb 0.00 -1.18 0.43 0.00 0.41 0.00 0.00 41.25 40.91 1whk s ASN 55 CO 0.00 -4.05 1.18 -0.67 -1.51 0.00 0.00 177.10 172.05 1whk n ASP 56 N -4.74 1.30 0.00 -1.22 2.03 -1.26 -0.76 116.55 111.90 1whk n ASP 56 Ca 0.11 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1whk n ASP 56 Cb 0.59 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whk n GLY 57 N -0.01 2.82 3.71 0.27 0.00 -1.26 -4.70 105.19 106.03 1whk n GLY 57 Ca 0.10 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 3.38 -0.30 4.61 0.00 -1.26 -2.65 121.76 125.54 1whk s ALA 58 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1whk s ALA 58 Cb 0.00 -1.29 0.10 0.00 0.00 0.00 0.00 23.12 21.93 1whk s ALA 58 CO 0.00 0.71 0.11 0.08 0.00 0.00 0.00 175.76 176.66 1whk s VAL 59 N -1.30 0.41 0.00 0.00 1.01 -1.13 -5.02 120.40 114.37 1whk s VAL 59 Ca 0.26 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1whk s VAL 59 Cb -0.12 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1whk s VAL 59 CO 0.18 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1whk n GLY 60 N 5.04 1.67 1.48 4.51 0.00 -1.26 -3.70 105.19 112.93 1whk n GLY 60 Ca -0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1whk n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whk n ASP 61 N 6.06 2.83 -3.67 1.61 5.75 -1.26 -4.99 116.55 122.88 1whk n ASP 61 Ca 0.00 -3.75 -0.16 0.00 -0.01 0.00 0.00 54.79 50.87 1whk n ASP 61 Cb 0.00 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.31 1whk n ASP 61 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1whk s LYS 62 N -3.27 1.56 0.20 0.11 1.02 -1.24 -5.14 119.74 112.97 1whk s LYS 62 Ca 0.48 -1.84 0.01 0.00 0.02 0.00 0.00 55.97 54.65 1whk s LYS 62 Cb 0.43 0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 38.01 1whk s LYS 62 CO 0.03 -0.57 0.03 1.03 -0.92 0.00 0.00 175.35 174.95 1whk s ARG 63 N -3.69 1.19 0.00 1.68 3.00 -1.26 -2.85 118.95 117.02 1whk s ARG 63 Ca 0.39 -1.60 0.00 0.00 0.00 0.00 0.00 55.73 54.52 1whk s ARG 63 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 34.95 34.75 1whk s ARG 63 CO 0.21 -0.19 0.00 0.66 0.00 0.00 0.00 175.30 175.98 1whk n TYR 64 N -0.30 -0.91 -3.97 -0.53 4.01 -1.12 -4.94 117.16 109.40 1whk n TYR 64 Ca -0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 1whk n TYR 64 Cb 0.64 0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.96 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 -1.66 0.30 -0.12 -0.72 -0.71 -1.09 -4.13 117.98 109.85 1whk s PHE 65 Ca 0.00 -0.68 -0.04 0.00 -1.04 0.00 0.00 56.93 55.17 1whk s PHE 65 Cb 0.00 0.30 0.06 0.00 -1.21 0.00 0.00 43.02 42.17 1whk s PHE 65 CO 0.00 -1.08 0.21 0.99 -1.34 0.00 0.00 175.22 174.00 1whk s THR 66 N -3.84 -0.33 0.00 -4.49 2.01 -1.26 -4.00 115.64 103.73 1whk s THR 66 Ca 0.21 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1whk s THR 66 Cb -0.02 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1whk s THR 66 CO 0.10 0.09 0.00 0.00 -0.69 0.00 0.00 174.62 174.12 1whk s LYS 68 N -0.93 0.51 0.01 0.00 1.02 -1.26 -5.07 119.74 114.02 1whk s LYS 68 Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.40 1whk s LYS 68 Cb 0.00 0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 37.39 1whk s LYS 68 CO 0.00 -0.23 1.97 -2.30 -0.92 0.00 0.00 175.35 173.86 1whk n PRO 69 N -0.48 2.75 -3.46 -1.68 -0.02 -1.26 -2.39 135.00 128.46 1whk n PRO 69 Ca -0.08 1.00 -0.18 0.00 -2.02 0.00 0.00 63.50 62.23 1whk n PRO 69 Cb 0.62 -2.96 0.08 0.00 -0.02 0.00 0.00 33.50 31.23 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 7.48 -2.28 -0.03 2.55 4.13 0.06 -4.89 115.26 122.28 1whk n ASN 70 Ca 0.21 -0.63 -0.04 0.00 1.68 0.00 0.00 54.58 55.80 1whk n ASN 70 Cb 0.39 -5.04 -0.04 0.00 -1.54 0.00 0.00 39.78 33.55 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1whk n TYR 71 N -4.20 0.00 -3.73 3.10 4.02 -1.00 -1.49 117.16 113.85 1whk n TYR 71 Ca -0.27 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.52 1whk n TYR 71 Cb 0.66 -0.30 -0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1whk n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1whk n GLY 72 N 2.75 3.06 3.47 2.72 0.00 -1.26 -2.56 105.19 113.37 1whk n GLY 72 Ca -0.11 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 1whk n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1whk s VAL 73 N -1.14 0.03 -0.28 1.61 -7.23 -1.16 -3.50 120.40 108.73 1whk s VAL 73 Ca 0.10 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 1whk s VAL 73 Cb -0.01 -1.35 0.07 0.00 0.56 0.00 0.00 36.38 35.65 1whk s VAL 73 CO 0.07 -0.12 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.92 1whk s LEU 74 N -2.83 3.71 0.21 1.32 1.43 -1.26 -2.32 118.68 118.95 1whk s LEU 74 Ca 0.06 -1.59 0.05 0.00 -1.03 0.00 0.00 54.13 51.62 1whk s LEU 74 Cb -0.01 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1whk s LEU 74 CO -0.07 -0.25 -0.07 0.68 0.23 0.00 0.00 176.35 176.87 1whk s VAL 75 N 1.08 1.36 0.26 -1.59 -7.23 -1.22 -4.92 120.40 108.14 1whk s VAL 75 Ca -0.03 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.00 1whk s VAL 75 Cb -0.20 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1whk s VAL 75 CO -0.06 -0.49 0.50 -0.13 -0.31 0.00 0.00 175.10 174.61 1whk s ARG 76 N -3.75 3.59 0.15 4.82 0.52 -1.26 -0.22 118.95 122.80 1whk s ARG 76 Ca 0.24 -0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 1whk s ARG 76 Cb 0.03 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 1whk s ARG 76 CO 0.07 0.28 1.56 -1.35 0.02 0.00 0.00 175.30 175.88 1whk h PRO 77 N 1.78 -0.31 -0.12 3.54 0.11 -1.87 1.24 132.00 136.37 1whk h PRO 77 Ca -0.48 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1whk h PRO 77 Cb 1.19 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1whk h PRO 77 CO 0.67 -0.21 0.21 0.66 -0.21 0.00 0.00 178.00 179.12 1whk h SER 78 N -0.32 0.00 0.89 -2.05 4.64 -1.95 1.01 113.55 115.76 1whk h SER 78 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1whk h SER 78 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1whk h SER 78 CO -0.61 0.00 -0.37 0.54 -0.87 0.00 0.00 176.83 175.52 1whk n ARG 79 N -3.45 0.15 -5.22 4.77 5.12 0.40 -4.79 116.66 113.63 1whk n ARG 79 Ca 0.00 0.07 -0.32 0.00 -1.93 0.00 0.00 57.85 55.67 1whk n ARG 79 Cb 0.31 -1.62 -0.17 0.00 -1.16 0.00 0.00 32.46 29.82 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 -3.08 2.07 0.07 1.55 -7.23 0.35 -3.62 120.40 110.52 1whk s VAL 80 Ca 0.10 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 1whk s VAL 80 Cb 0.15 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 1whk s VAL 80 CO 0.66 0.56 0.93 0.42 -0.31 0.00 0.00 175.10 177.35 1whk s THR 81 N 0.25 4.63 -0.29 5.32 -4.23 -0.13 -4.80 115.64 116.39 1whk s THR 81 Ca -0.16 1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 62.16 1whk s THR 81 Cb -0.17 -4.28 0.14 0.00 1.34 0.00 0.00 72.50 69.53 1whk s THR 81 CO 0.08 0.29 0.95 -0.47 -0.54 0.00 0.00 174.62 174.94 1whk s TYR 82 N 0.22 -0.61 0.09 3.99 5.04 -1.26 -2.18 117.35 122.64 1whk s TYR 82 Ca 0.46 1.22 0.04 0.00 -2.44 0.00 0.00 57.07 56.35 1whk s TYR 82 Cb -0.22 0.37 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 1whk s TYR 82 CO 0.28 -0.30 0.04 1.03 -1.34 0.00 0.00 175.55 175.26 1whk s ARG 83 N 1.33 2.72 0.00 4.97 0.52 -1.26 -5.13 118.95 122.11 1whk s ARG 83 Ca -0.09 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1whk s ARG 83 Cb -0.04 -2.63 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 1whk s ARG 83 CO -0.15 0.55 -0.00 0.20 0.02 0.00 0.00 175.30 175.92 1whk s GLY 84 N -2.38 0.03 -0.67 -3.53 0.00 -1.26 -5.11 107.32 94.41 1whk s GLY 84 Ca 0.28 -0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.76 1whk s GLY 84 CO 0.20 -0.09 0.62 -0.42 0.00 0.00 0.00 173.10 173.41 1whk s ILE 85 N -0.21 5.36 -0.01 0.90 -1.09 -1.26 -5.01 121.20 119.89 1whk s ILE 85 Ca -0.02 -1.89 0.03 0.00 -2.23 0.00 0.00 60.65 56.54 1whk s ILE 85 Cb -0.01 -4.40 -0.01 0.00 -1.58 0.00 0.00 42.46 36.45 1whk s ILE 85 CO -0.00 -0.95 -0.10 -0.55 -1.23 0.00 0.00 174.94 172.11 1whk s SER 86 N 3.00 1.19 0.00 3.58 0.15 -1.26 -5.11 113.70 115.25 1whk s SER 86 Ca 0.10 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1whk s SER 86 Cb -0.21 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1whk s SER 86 CO -0.02 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1whk n GLY 87 N 2.83 2.77 0.15 9.45 0.00 -1.26 -4.90 105.19 114.23 1whk n GLY 87 Ca -0.14 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 1whk n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk h PRO 88 N 0.00 0.41 -4.86 1.61 0.13 -2.02 -3.42 132.00 123.85 1whk h PRO 88 Ca 0.00 -0.22 -0.65 0.00 -0.87 0.00 0.00 66.00 64.26 1whk h PRO 88 Cb 0.00 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 30.96 1whk h PRO 88 CO 0.00 0.79 -0.52 0.45 -0.23 0.00 0.00 178.00 178.49 1whk s SER 89 N -6.21 5.93 -0.32 1.44 0.15 -1.26 -5.05 113.70 108.38 1whk s SER 89 Ca -0.14 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1whk s SER 89 Cb 0.06 -2.10 0.09 0.00 -1.71 0.00 0.00 66.02 62.36 1whk s SER 89 CO 0.77 -0.09 0.04 -0.44 1.20 0.00 0.00 173.24 174.71 1whk s SER 90 N 1.73 4.57 0.00 5.45 0.01 -1.26 -5.00 113.70 119.20 1whk s SER 90 Ca 0.07 -1.95 0.18 0.00 1.31 0.00 0.00 55.95 55.56 1whk s SER 90 Cb -0.16 -1.48 0.14 0.00 0.21 0.00 0.00 66.02 64.73 1whk s SER 90 CO 0.10 -0.36 1.08 0.61 0.41 0.00 0.00 173.24 175.08