#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 -5.98 0.00 1.61 7.64 -1.26 -4.73 113.62 110.91 1whk n SER 2 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1whk n SER 2 Cb 0.00 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.32 1whk n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whk n SER 3 N -2.21 0.00 -3.91 6.43 2.88 -1.26 -5.08 113.62 110.47 1whk n SER 3 Ca -0.17 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.07 1whk n SER 3 Cb 0.65 0.16 -0.16 0.00 -0.75 0.00 0.00 64.21 64.11 1whk n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whk s GLY 4 N -3.20 1.21 -0.66 0.46 0.00 -1.26 -5.08 107.32 98.79 1whk s GLY 4 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.24 1whk s GLY 4 CO 0.00 0.99 0.91 -0.45 0.00 0.00 0.00 173.10 174.56 1whk s SER 5 N 1.46 6.20 -0.29 1.64 0.15 -1.26 -4.63 113.70 116.97 1whk s SER 5 Ca -0.05 -1.16 -0.19 0.00 0.70 0.00 0.00 55.95 55.25 1whk s SER 5 Cb -0.19 -2.39 0.17 0.00 -1.71 0.00 0.00 66.02 61.90 1whk s SER 5 CO -0.06 -1.34 1.14 -0.44 1.20 0.00 0.00 173.24 173.73 1whk s SER 6 N 3.67 -0.30 0.00 5.45 0.01 -1.26 -5.11 113.70 116.16 1whk s SER 6 Ca 0.20 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1whk s SER 6 Cb -0.18 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1whk s SER 6 CO 0.08 -0.08 0.04 0.61 0.41 0.00 0.00 173.24 174.29 1whk n GLY 7 N 3.00 0.53 3.37 3.44 0.00 -1.26 -5.00 105.19 109.27 1whk n GLY 7 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1whk n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1whk s GLU 8 N -0.53 1.38 0.00 1.61 0.41 -1.26 -4.94 118.70 115.37 1whk s GLU 8 Ca 0.00 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 1whk s GLU 8 Cb 0.00 -1.32 0.00 0.00 -1.78 0.00 0.00 34.13 31.03 1whk s GLU 8 CO 0.00 0.24 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 1whk n GLY 9 N -0.18 1.20 3.06 -1.39 0.00 -1.26 -5.11 105.19 101.51 1whk n GLY 9 Ca -0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.29 -0.05 2.61 2.01 -1.26 -5.13 115.64 115.10 1whk s THR 10 Ca 0.00 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1whk s THR 10 Cb 0.00 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1whk s THR 10 CO 0.00 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 1whk s VAL 11 N 0.53 1.24 0.03 3.82 1.01 -1.26 -5.12 120.40 120.65 1whk s VAL 11 Ca -0.14 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1whk s VAL 11 Cb -0.15 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1whk s VAL 11 CO 0.04 0.37 1.22 -0.75 0.00 0.00 0.00 175.10 175.99 1whk s LYS 12 N 0.32 4.39 0.57 2.72 2.20 -1.26 -4.83 119.74 123.86 1whk s LYS 12 Ca -0.09 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1whk s LYS 12 Cb -0.13 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1whk s LYS 12 CO 0.03 -0.34 0.00 1.28 -0.36 0.00 0.00 175.35 175.95 1whk n LEU 13 N 4.41 0.00 -3.61 5.43 4.32 -1.26 -4.98 117.00 121.30 1whk n LEU 13 Ca 0.10 1.36 -0.01 0.00 -0.02 0.00 0.00 56.01 57.43 1whk n LEU 13 Cb 0.46 -3.81 -0.01 0.00 -1.62 0.00 0.00 43.42 38.43 1whk n LEU 13 CO 0.56 -2.70 1.01 -2.28 -1.22 0.00 0.00 177.39 172.75 1whk s HIS 14 N -1.93 -0.09 -0.55 -1.77 2.46 -1.26 -5.06 115.29 107.09 1whk s HIS 14 Ca 0.00 -0.00 -0.26 0.00 0.47 0.00 0.00 55.06 55.26 1whk s HIS 14 Cb 0.00 0.54 -0.05 0.00 -0.13 0.00 0.00 32.58 32.93 1whk s HIS 14 CO 0.00 -0.29 2.21 -1.21 -2.47 0.00 0.00 174.74 172.98 1whk s GLU 15 N -2.50 2.27 0.00 2.88 2.02 -1.26 -3.46 118.70 118.64 1whk s GLU 15 Ca 0.12 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1whk s GLU 15 Cb 0.02 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.71 1whk s GLU 15 CO -0.04 -3.14 0.00 0.41 0.02 0.00 0.00 175.26 172.51 1whk n GLY 16 N 5.95 0.62 3.26 -1.39 0.00 -1.20 -5.05 105.19 107.38 1whk n GLY 16 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.24 1.46 -0.24 1.61 0.01 -1.22 -5.01 113.70 110.07 1whk s SER 17 Ca 0.00 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.11 1whk s SER 17 Cb 0.00 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.33 1whk s SER 17 CO 0.00 -0.51 -0.11 -1.10 0.41 0.00 0.00 173.24 171.93 1whk s GLN 18 N -3.87 2.66 0.41 12.44 -1.52 -1.26 -2.62 119.66 125.89 1whk s GLN 18 Ca 0.23 -1.07 0.07 0.00 -1.95 0.00 0.00 55.36 52.64 1whk s GLN 18 Cb 0.05 -2.86 -0.06 0.00 -0.22 0.00 0.00 33.01 29.93 1whk s GLN 18 CO 0.04 -0.42 0.15 0.14 -0.25 0.00 0.00 175.29 174.95 1whk s VAL 19 N 1.24 2.31 0.03 1.09 -7.23 -0.94 -4.43 120.40 112.46 1whk s VAL 19 Ca -0.02 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1whk s VAL 19 Cb -0.17 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 1whk s VAL 19 CO -0.07 -0.02 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.44 1whk s LEU 20 N -3.86 2.23 -0.21 1.32 2.96 -1.08 -1.50 118.68 118.53 1whk s LEU 20 Ca 0.40 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.67 1whk s LEU 20 Cb 0.04 -0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 1whk s LEU 20 CO 0.22 -0.24 0.38 -0.76 -1.32 0.00 0.00 176.35 174.62 1whk s LEU 21 N -1.39 4.15 0.29 -0.68 1.43 -1.25 -2.26 118.68 118.98 1whk s LEU 21 Ca -0.13 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1whk s LEU 21 Cb -0.09 -2.47 0.45 0.00 0.03 0.00 0.00 46.19 44.11 1whk s LEU 21 CO -0.00 -0.06 1.70 0.00 0.23 0.00 0.00 176.35 178.21 1whk h THR 22 N 5.03 1.31 -1.75 5.49 1.03 -1.95 0.75 112.91 122.81 1whk h THR 22 Ca -0.36 -1.51 -0.72 0.00 -0.01 0.00 0.00 66.41 63.82 1whk h THR 22 Cb 1.16 1.67 -0.31 0.00 -1.07 0.00 0.00 68.15 69.61 1whk h THR 22 CO 0.71 0.45 0.63 -0.24 -0.01 0.00 0.00 175.52 177.06 1whk n SER 23 N -4.03 6.91 0.00 0.00 2.88 -1.26 -4.44 113.62 113.69 1whk n SER 23 Ca -0.01 -3.81 0.00 0.00 -1.33 0.00 0.00 58.87 53.72 1whk n SER 23 Cb 0.47 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1whk n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whk n SER 24 N -0.58 0.00 -3.12 -3.46 2.88 -1.18 -5.03 113.62 103.13 1whk n SER 24 Ca 0.52 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.91 1whk n SER 24 Cb 0.39 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.93 1whk n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1whk n ASN 25 N -0.37 -2.20 -3.78 -3.46 4.13 0.26 -4.98 115.26 104.86 1whk n ASN 25 Ca 0.00 -0.54 -0.29 0.00 1.68 0.00 0.00 54.58 55.43 1whk n ASN 25 Cb 0.00 -4.53 -0.16 0.00 -1.54 0.00 0.00 39.78 33.55 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 -5.23 0.88 0.60 3.52 0.41 -1.26 -4.90 118.70 112.73 1whk s GLU 26 Ca 0.02 -0.77 -0.20 0.00 -0.41 0.00 0.00 54.97 53.62 1whk s GLU 26 Cb -0.01 -2.18 -0.03 0.00 -1.78 0.00 0.00 34.13 30.13 1whk s GLU 26 CO 0.64 -0.75 1.33 -1.33 -0.49 0.00 0.00 175.26 174.66 1whk n MET 27 N 4.90 1.38 -3.69 1.61 2.81 -1.26 -3.77 117.12 119.10 1whk n MET 27 Ca -0.07 0.52 -0.15 0.00 -1.81 0.00 0.00 57.70 56.20 1whk n MET 27 Cb 0.45 -2.56 -0.08 0.00 -0.71 0.00 0.00 33.22 30.32 1whk n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1whk s ALA 28 N -1.34 -1.09 0.14 3.04 0.00 -0.57 -4.94 121.76 117.01 1whk s ALA 28 Ca 0.78 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1whk s ALA 28 Cb -0.40 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 1whk s ALA 28 CO 0.44 -0.29 0.60 0.99 0.00 0.00 0.00 175.76 177.50 1whk s THR 29 N -1.26 4.74 -0.10 0.00 2.01 -1.26 -2.20 115.64 117.56 1whk s THR 29 Ca -0.13 1.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.74 1whk s THR 29 Cb -0.04 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1whk s THR 29 CO 0.06 0.34 0.60 -0.69 -0.69 0.00 0.00 174.62 174.23 1whk s VAL 30 N -1.36 5.10 -0.14 3.82 1.01 -1.08 -1.93 120.40 125.82 1whk s VAL 30 Ca 0.36 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 1whk s VAL 30 Cb -0.17 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1whk s VAL 30 CO 0.20 0.26 -0.13 0.54 0.00 0.00 0.00 175.10 175.97 1whk n ARG 31 N 3.90 0.34 -4.18 2.72 5.12 -0.53 -3.22 116.66 120.81 1whk n ARG 31 Ca -0.04 0.09 -0.18 0.00 -1.93 0.00 0.00 57.85 55.79 1whk n ARG 31 Cb 0.51 -1.23 -0.12 0.00 -1.16 0.00 0.00 32.46 30.46 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 -2.27 1.24 -0.19 -1.55 5.04 -1.22 -4.70 117.35 113.70 1whk s TYR 32 Ca -0.19 -0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 53.92 1whk s TYR 32 Cb 0.05 -0.69 0.07 0.00 0.35 0.00 0.00 41.96 41.74 1whk s TYR 32 CO 0.31 0.07 0.09 0.08 -1.34 0.00 0.00 175.55 174.75 1whk s VAL 33 N -1.38 0.00 -4.77 3.14 1.01 -1.26 -1.44 120.40 115.70 1whk s VAL 33 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1whk s VAL 33 Cb -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1whk s VAL 33 CO 0.02 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1whk n GLY 34 N 5.24 -2.51 2.72 4.51 0.00 -0.99 -5.05 105.19 109.11 1whk n GLY 34 Ca -0.07 -1.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.72 -2.04 -4.26 1.61 -0.02 -1.24 -2.99 135.00 125.34 1whk n PRO 35 Ca 0.00 -0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 60.53 1whk n PRO 35 Cb 0.00 -1.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1whk n PRO 35 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1whk s THR 36 N -1.92 0.92 0.05 3.45 -4.23 -1.25 -4.76 115.64 107.91 1whk s THR 36 Ca 0.37 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1whk s THR 36 Cb -0.07 -2.06 -0.30 0.00 1.34 0.00 0.00 72.50 71.42 1whk s THR 36 CO 0.31 -0.55 1.03 -0.78 -0.54 0.00 0.00 174.62 174.09 1whk h ASP 37 N 2.69 0.49 0.10 3.99 1.82 -1.94 -3.37 116.42 120.19 1whk h ASP 37 Ca -0.37 -0.57 -0.24 0.00 -0.39 0.00 0.00 57.03 55.46 1whk h ASP 37 Cb 1.20 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 41.05 1whk h ASP 37 CO 0.64 1.45 -1.21 2.19 -1.61 0.00 0.00 179.24 180.70 1whk h PHE 38 N 0.09 0.37 -0.78 0.28 -0.00 -1.97 -3.48 116.94 111.45 1whk h PHE 38 Ca -0.19 -0.27 -0.50 0.00 -0.00 0.00 0.00 57.97 57.01 1whk h PHE 38 Cb 2.02 -0.01 0.02 0.00 -0.00 0.00 0.00 35.95 37.98 1whk h PHE 38 CO 0.08 1.47 -0.13 0.00 -0.00 0.00 0.00 178.31 179.73 1whk s ALA 39 N -2.44 4.68 -0.32 12.09 0.00 -1.26 -5.11 121.76 129.39 1whk s ALA 39 Ca -0.20 -2.03 -0.02 0.00 0.00 0.00 0.00 51.96 49.72 1whk s ALA 39 Cb 0.03 -1.37 0.11 0.00 0.00 0.00 0.00 23.12 21.90 1whk s ALA 39 CO 0.75 -0.80 0.15 0.45 0.00 0.00 0.00 175.76 176.32 1whk s SER 40 N -4.61 3.50 0.00 0.00 0.15 -1.26 -3.86 113.70 107.62 1whk s SER 40 Ca 0.58 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1whk s SER 40 Cb -0.05 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1whk s SER 40 CO 0.37 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1whk n GLY 41 N 4.71 -0.79 3.09 9.45 0.00 -1.26 -5.02 105.19 115.37 1whk n GLY 41 Ca 0.01 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.03 2.53 0.21 -0.61 1.01 -1.26 -3.60 121.20 116.44 1whk s ILE 42 Ca 0.00 -1.84 0.08 0.00 0.00 0.00 0.00 60.65 58.89 1whk s ILE 42 Cb 0.00 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1whk s ILE 42 CO 0.00 -0.30 -0.15 0.26 0.00 0.00 0.00 174.94 174.76 1whk s TRP 43 N 1.08 1.74 -0.10 3.97 0.52 -1.16 -3.98 118.94 121.01 1whk s TRP 43 Ca -0.00 -0.56 0.01 0.00 0.02 0.00 0.00 56.10 55.57 1whk s TRP 43 Cb -0.20 -0.81 0.02 0.00 -1.15 0.00 0.00 33.47 31.33 1whk s TRP 43 CO -0.05 0.37 -0.12 -0.51 0.02 0.00 0.00 176.95 176.67 1whk s LEU 44 N -3.29 1.54 -1.07 2.99 1.43 -0.07 -2.35 118.68 117.86 1whk s LEU 44 Ca 0.22 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1whk s LEU 44 Cb -0.01 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1whk s LEU 44 CO 0.07 -0.03 1.80 -0.83 0.23 0.00 0.00 176.35 177.59 1whk s GLY 45 N 1.15 0.67 0.88 -3.19 0.00 -0.52 -3.66 107.32 102.65 1whk s GLY 45 Ca -0.04 -2.09 -0.12 0.00 0.00 0.00 0.00 44.72 42.47 1whk s GLY 45 CO -0.03 3.20 1.10 1.08 0.00 0.00 0.00 173.10 178.45 1whk s LEU 46 N 8.21 2.24 -0.28 0.66 1.43 -0.81 -1.45 118.68 128.67 1whk s LEU 46 Ca 0.62 1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1whk s LEU 46 Cb -0.02 -3.72 0.13 0.00 0.03 0.00 0.00 46.19 42.61 1whk s LEU 46 CO 0.02 -2.46 0.27 -0.70 0.23 0.00 0.00 176.35 173.71 1whk s GLU 47 N -5.08 0.29 0.60 1.70 2.12 -0.81 -3.51 118.70 114.00 1whk s GLU 47 Ca 0.63 -0.16 -0.09 0.00 0.36 0.00 0.00 54.97 55.70 1whk s GLU 47 Cb -0.16 -0.77 -0.03 0.00 0.26 0.00 0.00 34.13 33.43 1whk s GLU 47 CO 0.55 -0.99 0.97 -0.51 -0.54 0.00 0.00 175.26 174.74 1whk s LEU 48 N 2.32 3.28 -0.09 2.70 1.43 -1.21 -3.98 118.68 123.13 1whk s LEU 48 Ca 0.09 1.19 0.12 0.00 -1.03 0.00 0.00 54.13 54.51 1whk s LEU 48 Cb -0.14 -4.16 -0.24 0.00 0.03 0.00 0.00 46.19 41.68 1whk s LEU 48 CO -0.32 -0.89 0.48 -1.14 0.23 0.00 0.00 176.35 174.72 1whk n ARG 49 N -2.66 0.65 -2.68 1.70 0.00 -1.26 -4.61 116.66 107.81 1whk n ARG 49 Ca 0.05 0.22 -0.23 0.00 -0.00 0.00 0.00 57.85 57.89 1whk n ARG 49 Cb 0.55 -1.72 0.03 0.00 0.00 0.00 0.00 32.46 31.32 1whk n ARG 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1whk s SER 50 N -6.04 5.47 -1.17 6.15 0.15 -1.26 -5.02 113.70 111.99 1whk s SER 50 Ca -0.08 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.70 1whk s SER 50 Cb 0.07 -1.25 0.21 0.00 -1.71 0.00 0.00 66.02 63.34 1whk s SER 50 CO 0.82 -1.02 1.31 0.00 1.20 0.00 0.00 173.24 175.54 1whk s ALA 51 N -2.77 4.30 -0.12 5.45 0.00 -1.26 -4.57 121.76 122.79 1whk s ALA 51 Ca 0.54 -3.55 0.14 0.00 0.00 0.00 0.00 51.96 49.08 1whk s ALA 51 Cb -0.10 -3.90 0.30 0.00 0.00 0.00 0.00 23.12 19.41 1whk s ALA 51 CO 0.40 -2.55 1.18 1.63 0.00 0.00 0.00 175.76 176.43 1whk n LYS 52 N 4.48 0.60 -0.93 0.00 4.76 -1.17 -4.97 118.16 120.93 1whk n LYS 52 Ca 0.32 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.99 1whk n LYS 52 Cb 0.41 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 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 -0.31 3.14 1.23 0.72 0.00 -1.15 -4.96 105.19 103.86 1whk n GLY 53 Ca -0.10 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.44 0.89 -3.57 1.61 5.02 -1.15 -4.61 118.16 115.91 1whk n LYS 54 Ca 0.00 -2.71 -0.14 0.00 -2.02 0.00 0.00 58.31 53.44 1whk n LYS 54 Cb 0.00 -0.84 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.67 -0.45 -0.21 4.39 0.01 -0.99 -4.96 114.94 110.06 1whk s ASN 55 Ca 0.36 0.21 0.13 0.00 -0.71 0.00 0.00 52.86 52.85 1whk s ASN 55 Cb 0.38 0.49 -0.23 0.00 0.41 0.00 0.00 41.25 42.30 1whk s ASN 55 CO -0.11 -0.71 0.02 0.47 -1.51 0.00 0.00 177.10 175.26 1whk n ASP 56 N 0.45 0.61 0.00 -1.22 9.92 -1.26 -0.54 116.55 124.51 1whk n ASP 56 Ca -0.18 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1whk n ASP 56 Cb 0.60 0.54 0.00 0.00 -0.64 0.00 0.00 41.12 41.62 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whk n GLY 57 N 1.88 0.46 3.08 0.44 0.00 -1.26 -3.70 105.19 106.10 1whk n GLY 57 Ca -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 0.81 -0.03 4.61 0.00 -1.26 -2.81 121.76 123.08 1whk s ALA 58 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1whk s ALA 58 Cb 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1whk s ALA 58 CO 0.00 0.10 0.03 0.08 0.00 0.00 0.00 175.76 175.97 1whk s VAL 59 N -0.98 0.01 0.00 0.00 1.01 -0.95 -5.03 120.40 114.47 1whk s VAL 59 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1whk s VAL 59 Cb -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1whk s VAL 59 CO 0.01 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1whk n GLY 60 N 4.49 2.19 1.60 4.51 0.00 -1.26 -2.76 105.19 113.96 1whk n GLY 60 Ca -0.21 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 5.50 2.96 -3.77 1.61 8.00 -1.26 -4.97 116.55 124.61 1whk n ASP 61 Ca 0.00 -3.73 -0.11 0.00 0.71 0.00 0.00 54.79 51.66 1whk n ASP 61 Cb 0.00 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.12 40.31 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 -3.28 0.82 0.27 -1.24 2.20 -1.11 -5.07 119.74 112.33 1whk s LYS 62 Ca 0.50 -0.59 0.08 0.00 -0.36 0.00 0.00 55.97 55.60 1whk s LYS 62 Cb 0.44 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 37.07 1whk s LYS 62 CO 0.04 -0.27 0.11 0.50 -0.36 0.00 0.00 175.35 175.38 1whk s ARG 63 N -2.81 2.59 0.00 4.03 6.06 -1.26 -2.23 118.95 125.32 1whk s ARG 63 Ca -0.03 -1.27 0.00 0.00 -2.50 0.00 0.00 55.73 51.92 1whk s ARG 63 Cb 0.00 -2.35 0.00 0.00 0.06 0.00 0.00 34.95 32.66 1whk s ARG 63 CO -0.05 0.33 0.00 0.66 -2.50 0.00 0.00 175.30 173.74 1whk n TYR 64 N -1.07 0.00 -3.98 5.12 4.02 -1.20 -4.96 117.16 115.09 1whk n TYR 64 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.73 1whk n TYR 64 Cb 0.59 0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 40.07 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 -1.80 0.34 -0.32 -0.72 -0.12 -1.12 -3.94 117.98 110.30 1whk s PHE 65 Ca 0.00 -0.73 0.02 0.00 -0.05 0.00 0.00 56.93 56.18 1whk s PHE 65 Cb 0.00 0.27 0.09 0.00 -0.63 0.00 0.00 43.02 42.75 1whk s PHE 65 CO 0.00 -1.07 0.02 0.95 -0.05 0.00 0.00 175.22 175.07 1whk s THR 66 N -3.81 2.43 0.16 -4.49 -4.23 -1.26 -4.38 115.64 100.05 1whk s THR 66 Ca 0.21 -2.06 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1whk s THR 66 Cb -0.02 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1whk s THR 66 CO 0.10 -0.43 0.22 0.00 -0.54 0.00 0.00 174.62 173.97 1whk s LYS 68 N -2.39 2.68 0.14 0.00 3.01 -1.25 -4.54 119.74 117.39 1whk s LYS 68 Ca 0.14 0.15 -0.33 0.00 -1.01 0.00 0.00 55.97 54.92 1whk s LYS 68 Cb -0.00 -2.12 -0.12 0.00 -1.01 0.00 0.00 37.83 34.57 1whk s LYS 68 CO 0.10 -1.01 1.71 -2.30 0.51 0.00 0.00 175.35 174.36 1whk n PRO 69 N -2.88 2.47 -3.10 -1.68 -0.02 -1.26 -3.00 135.00 125.53 1whk n PRO 69 Ca 0.06 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.31 1whk n PRO 69 Cb 0.58 -2.72 0.06 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.45 -6.34 0.08 2.55 4.13 0.30 -4.89 115.26 115.52 1whk n ASN 70 Ca 0.18 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1whk n ASN 70 Cb 0.32 -4.85 0.00 0.00 -1.54 0.00 0.00 39.78 33.72 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 -3.01 -1.07 -2.41 3.10 4.02 0.06 -2.92 117.16 114.93 1whk n TYR 71 Ca -0.06 0.19 -0.28 0.00 -0.01 0.00 0.00 57.90 57.74 1whk n TYR 71 Cb 0.60 0.31 0.01 0.00 -0.02 0.00 0.00 39.34 40.24 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 -4.65 1.56 0.07 2.72 0.00 -1.22 -3.32 107.32 102.48 1whk s GLY 72 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1whk s GLY 72 CO 0.00 -0.26 -0.07 -1.34 0.00 0.00 0.00 173.10 171.42 1whk s VAL 73 N -2.91 0.64 -0.24 1.40 -7.23 -1.23 -2.36 120.40 108.47 1whk s VAL 73 Ca 0.51 -1.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1whk s VAL 73 Cb -0.10 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1whk s VAL 73 CO 0.47 -0.63 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.82 1whk s LEU 74 N -2.34 3.13 0.34 1.32 1.43 -1.26 -1.92 118.68 119.39 1whk s LEU 74 Ca 0.01 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1whk s LEU 74 Cb -0.02 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1whk s LEU 74 CO -0.02 -0.10 0.15 0.68 0.23 0.00 0.00 176.35 177.28 1whk s VAL 75 N 1.38 0.48 0.12 -1.59 -7.23 -1.24 -4.94 120.40 107.38 1whk s VAL 75 Ca 0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1whk s VAL 75 Cb -0.16 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1whk s VAL 75 CO -0.04 0.00 0.01 -0.13 -0.31 0.00 0.00 175.10 174.63 1whk s ARG 76 N -3.77 2.52 0.21 4.82 0.52 -1.26 -0.89 118.95 121.11 1whk s ARG 76 Ca 0.32 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.45 1whk s ARG 76 Cb 0.04 -2.48 0.24 0.00 0.52 0.00 0.00 34.95 33.27 1whk s ARG 76 CO 0.17 0.51 1.60 -1.35 0.02 0.00 0.00 175.30 176.25 1whk h PRO 77 N 3.12 -0.05 -0.13 3.54 0.11 -1.84 1.77 132.00 138.53 1whk h PRO 77 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1whk h PRO 77 Cb 1.18 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whk h PRO 77 CO 0.59 -0.03 0.25 0.77 -0.21 0.00 0.00 178.00 179.37 1whk h SER 78 N -0.05 0.00 0.15 -2.05 0.02 -1.96 0.87 113.55 110.54 1whk h SER 78 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 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 -0.73 0.00 -0.53 0.54 -1.14 0.00 0.00 176.83 174.97 1whk n ARG 79 N -3.35 0.63 -4.07 3.45 5.12 0.58 -4.86 116.66 114.16 1whk n ARG 79 Ca 0.01 -0.46 -0.22 0.00 -1.93 0.00 0.00 57.85 55.24 1whk n ARG 79 Cb 0.35 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 29.99 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 -2.69 0.60 -0.09 1.55 -7.23 0.30 -3.84 120.40 109.00 1whk s VAL 80 Ca 0.17 -0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.27 1whk s VAL 80 Cb 0.18 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.47 1whk s VAL 80 CO 0.64 0.26 -0.23 -0.89 -0.31 0.00 0.00 175.10 174.57 1whk s THR 81 N 1.25 1.98 0.30 5.32 2.01 -0.96 -4.68 115.64 120.86 1whk s THR 81 Ca -0.06 -0.97 0.11 0.00 0.31 0.00 0.00 61.69 61.08 1whk s THR 81 Cb -0.14 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1whk s THR 81 CO -0.02 0.54 -0.11 -0.72 -0.69 0.00 0.00 174.62 173.62 1whk s TYR 82 N 0.33 2.42 0.00 4.92 1.13 -1.26 -2.64 117.35 122.25 1whk s TYR 82 Ca -0.18 -0.37 0.00 0.00 -1.41 0.00 0.00 57.07 55.11 1whk s TYR 82 Cb -0.18 -1.20 0.00 0.00 -1.10 0.00 0.00 41.96 39.49 1whk s TYR 82 CO 0.08 0.63 0.00 2.89 -2.51 0.00 0.00 175.55 176.64 1whk n ARG 83 N -0.76 0.00 0.00 -3.49 1.85 -1.26 -5.06 116.66 107.94 1whk n ARG 83 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1whk n ARG 83 Cb 0.61 -0.62 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1whk n GLY 84 N 3.05 2.55 0.07 2.89 0.00 -1.26 -4.74 105.19 107.74 1whk n GLY 84 Ca 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 46.02 44.67 1whk n GLY 84 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1whk h ILE 85 N 0.00 1.49 -0.01 -0.61 3.07 -1.95 -3.40 117.51 116.11 1whk h ILE 85 Ca 0.00 -3.19 -0.15 0.00 1.55 0.00 0.00 64.86 63.07 1whk h ILE 85 Cb 0.00 2.73 -0.19 0.00 -0.27 0.00 0.00 36.82 39.09 1whk h ILE 85 CO 0.00 0.85 -0.46 -0.24 -1.05 0.00 0.00 178.15 177.25 1whk n SER 86 N -3.28 -0.56 0.00 2.16 2.88 -1.26 -5.12 113.62 108.44 1whk n SER 86 Ca -0.03 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1whk n SER 86 Cb 0.94 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 1whk n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 87 N -0.04 2.83 3.76 0.46 0.00 -1.26 -5.09 105.19 105.84 1whk n GLY 87 Ca -0.19 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1whk n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 88 N 4.80 2.59 0.05 1.61 0.04 -1.26 -4.98 135.00 137.84 1whk s PRO 88 Ca 0.00 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.17 1whk s PRO 88 Cb 0.00 -1.92 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 1whk s PRO 88 CO 0.00 -1.43 1.45 0.66 0.04 0.00 0.00 177.00 177.73 1whk h SER 89 N -0.16 -0.83 0.00 6.66 4.64 -1.98 -3.42 113.55 118.46 1whk h SER 89 Ca -0.47 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1whk h SER 89 Cb 1.26 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 1whk h SER 89 CO 0.53 -0.54 -1.20 -1.20 -0.87 0.00 0.00 176.83 173.55 1whk n SER 90 N -5.48 1.41 0.00 4.97 7.64 -1.26 -5.00 113.62 115.90 1whk n SER 90 Ca -0.14 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1whk n SER 90 Cb 0.40 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1whk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64