#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 0.00 -0.82 1.61 0.15 -1.26 -5.09 113.70 108.29 1whk s SER 2 Ca 0.00 0.37 -0.25 0.00 0.70 0.00 0.00 55.95 56.77 1whk s SER 2 Cb 0.00 0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.54 1whk s SER 2 CO 0.00 -0.17 1.97 -0.55 1.20 0.00 0.00 173.24 175.69 1whk s SER 3 N 1.42 5.07 -0.46 5.45 0.15 -1.26 -4.72 113.70 119.36 1whk s SER 3 Ca -0.07 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1whk s SER 3 Cb -0.11 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.87 1whk s SER 3 CO -0.07 -2.74 0.93 0.61 1.20 0.00 0.00 173.24 173.17 1whk n GLY 4 N 6.59 -0.63 2.26 9.45 0.00 -1.26 -5.00 105.19 116.59 1whk n GLY 4 Ca 0.36 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 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 2.09 6.33 -2.92 1.61 7.64 -1.26 -4.88 113.62 122.23 1whk n SER 5 Ca 0.11 -3.67 -0.04 0.00 1.01 0.00 0.00 58.87 56.27 1whk n SER 5 Cb 0.63 -0.93 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1whk n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whk n SER 6 N -0.91 -1.97 -0.07 6.43 3.41 -1.26 -5.02 113.62 114.22 1whk n SER 6 Ca 0.60 -0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1whk n SER 6 Cb 0.98 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.15 -0.22 3.63 5.00 0.00 -1.26 -4.92 105.19 107.27 1whk n GLY 7 Ca 0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.29 2.45 0.00 1.61 2.02 -1.26 -4.73 118.70 116.50 1whk s GLU 8 Ca -0.20 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 53.94 1whk s GLU 8 Cb 0.06 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1whk s GLU 8 CO 0.32 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.56 1whk n GLY 9 N 0.90 1.99 2.21 -1.39 0.00 -1.26 -4.99 105.19 102.65 1whk n GLY 9 Ca -0.13 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1whk n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1whk n THR 10 N 0.00 0.00 -2.83 2.61 -2.24 -1.26 -4.92 114.28 105.64 1whk n THR 10 Ca 0.00 -1.23 -0.06 0.00 -2.27 0.00 0.00 64.05 60.49 1whk n THR 10 Cb 0.00 -0.33 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1whk n THR 10 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1whk n VAL 11 N -1.34-11.06 -3.12 2.28 0.31 -1.26 -4.85 118.33 99.29 1whk n VAL 11 Ca 0.01 1.25 -0.20 0.00 -0.01 0.00 0.00 64.34 65.39 1whk n VAL 11 Cb 0.36 -6.94 0.04 0.00 -0.91 0.00 0.00 33.84 26.39 1whk n VAL 11 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1whk s LYS 12 N -2.18 2.43 -0.48 5.55 -2.85 -1.26 -5.01 119.74 115.95 1whk s LYS 12 Ca 0.15 -1.58 -0.29 0.00 -1.00 0.00 0.00 55.97 53.25 1whk s LYS 12 Cb -0.04 -2.62 0.03 0.00 -2.06 0.00 0.00 37.83 33.14 1whk s LYS 12 CO 0.76 -0.68 1.16 -0.51 0.10 0.00 0.00 175.35 176.18 1whk s LEU 13 N -4.54 3.62 0.09 2.77 1.43 -1.26 -4.80 118.68 115.99 1whk s LEU 13 Ca 0.58 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1whk s LEU 13 Cb -0.06 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1whk s LEU 13 CO 0.36 -1.28 0.00 1.57 0.23 0.00 0.00 176.35 177.23 1whk n HIS 14 N 7.94 -0.15 -3.64 0.29 -0.00 -1.26 -4.92 115.22 113.49 1whk n HIS 14 Ca 0.12 0.03 -0.09 0.00 0.46 0.00 0.00 57.72 58.24 1whk n HIS 14 Cb 0.49 0.04 -0.07 0.00 -0.12 0.00 0.00 29.99 30.33 1whk n HIS 14 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1whk s GLU 15 N -2.00 0.75 -0.76 1.57 0.41 -1.26 -4.27 118.70 113.14 1whk s GLU 15 Ca 0.00 1.15 -0.01 0.00 -0.41 0.00 0.00 54.97 55.70 1whk s GLU 15 Cb 0.00 0.23 -0.02 0.00 -1.78 0.00 0.00 34.13 32.56 1whk s GLU 15 CO 0.00 -0.13 0.65 0.41 -0.49 0.00 0.00 175.26 175.69 1whk n GLY 16 N 3.77 -0.21 3.39 -1.39 0.00 0.43 -5.01 105.19 106.17 1whk n GLY 16 Ca -0.18 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.69 3.36 -0.35 1.61 0.01 -1.25 -4.88 113.70 108.51 1whk s SER 17 Ca 0.10 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.47 1whk s SER 17 Cb -0.01 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1whk s SER 17 CO 0.49 0.19 0.41 -1.10 0.41 0.00 0.00 173.24 173.63 1whk s GLN 18 N -2.01 3.58 0.10 12.44 -1.52 -1.26 -0.88 119.66 130.10 1whk s GLN 18 Ca 0.14 -0.34 0.06 0.00 -1.95 0.00 0.00 55.36 53.27 1whk s GLN 18 Cb -0.10 -3.81 -0.03 0.00 -0.22 0.00 0.00 33.01 28.85 1whk s GLN 18 CO 0.06 -0.57 -0.15 0.14 -0.25 0.00 0.00 175.29 174.52 1whk s VAL 19 N 2.14 1.29 0.06 1.09 -7.23 -0.86 -4.91 120.40 111.98 1whk s VAL 19 Ca 0.14 -1.52 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1whk s VAL 19 Cb -0.16 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1whk s VAL 19 CO 0.12 -0.28 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.33 1whk s LEU 20 N -2.07 3.11 -0.03 1.32 2.96 -1.08 -0.59 118.68 122.30 1whk s LEU 20 Ca 0.04 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 1whk s LEU 20 Cb -0.08 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1whk s LEU 20 CO 0.03 0.22 0.49 -0.76 -1.32 0.00 0.00 176.35 175.01 1whk s LEU 21 N -1.86 4.41 0.26 -0.68 1.43 -1.10 -0.76 118.68 120.37 1whk s LEU 21 Ca 0.20 0.99 0.14 0.00 -1.03 0.00 0.00 54.13 54.43 1whk s LEU 21 Cb -0.11 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.44 1whk s LEU 21 CO 0.11 0.17 1.44 0.00 0.23 0.00 0.00 176.35 178.30 1whk h THR 22 N 4.10 1.02 0.02 5.49 1.03 -1.84 0.09 112.91 122.82 1whk h THR 22 Ca -0.47 -2.38 -0.34 0.00 -0.01 0.00 0.00 66.41 63.21 1whk h THR 22 Cb 1.20 2.46 -0.05 0.00 -1.07 0.00 0.00 68.15 70.70 1whk h THR 22 CO 0.68 0.57 -1.88 -1.54 -0.01 0.00 0.00 175.52 173.34 1whk n SER 23 N -3.27 1.94 0.07 0.00 3.41 -1.26 -4.43 113.62 110.08 1whk n SER 23 Ca 0.01 0.31 -0.06 0.00 -0.26 0.00 0.00 58.87 58.88 1whk n SER 23 Cb 0.76 -0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 1whk n SER 23 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1whk h SER 24 N -0.74 0.00 -4.99 4.04 0.02 -1.95 -3.48 113.55 106.46 1whk h SER 24 Ca -0.49 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.15 1whk h SER 24 Cb 1.57 0.00 0.12 0.00 0.14 0.00 0.00 62.40 64.23 1whk h SER 24 CO -0.22 0.92 -0.58 -3.20 -1.14 0.00 0.00 176.83 172.62 1whk n ASN 25 N -3.39 -4.75 -3.79 3.07 5.15 0.02 -4.99 115.26 106.59 1whk n ASN 25 Ca 0.00 -0.46 -0.13 0.00 -0.60 0.00 0.00 54.58 53.39 1whk n ASN 25 Cb 0.89 -4.25 -0.14 0.00 -0.53 0.00 0.00 39.78 35.75 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 -5.85 0.06 0.79 1.20 0.41 -1.25 -4.89 118.70 109.17 1whk s GLU 26 Ca 0.37 0.24 -0.12 0.00 -0.41 0.00 0.00 54.97 55.05 1whk s GLU 26 Cb -0.16 -0.12 0.07 0.00 -1.78 0.00 0.00 34.13 32.14 1whk s GLU 26 CO 0.60 -0.11 1.13 -1.64 -0.49 0.00 0.00 175.26 174.74 1whk s MET 27 N 0.77 1.97 0.22 1.61 -1.94 -1.26 -2.72 119.30 117.95 1whk s MET 27 Ca -0.06 1.39 -0.21 0.00 -1.71 0.00 0.00 55.69 55.10 1whk s MET 27 Cb -0.08 -1.85 0.04 0.00 2.01 0.00 0.00 34.83 34.95 1whk s MET 27 CO -0.03 -1.89 0.64 0.00 -0.01 0.00 0.00 175.02 173.73 1whk s ALA 28 N -2.63 -1.29 -0.17 3.03 0.00 0.25 -4.94 121.76 116.02 1whk s ALA 28 Ca 0.65 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 1whk s ALA 28 Cb -0.21 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1whk s ALA 28 CO 0.53 -0.90 0.08 0.99 0.00 0.00 0.00 175.76 176.46 1whk s THR 29 N -3.85 4.96 -0.08 0.00 2.01 -1.22 -2.03 115.64 115.43 1whk s THR 29 Ca 0.07 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 1whk s THR 29 Cb -0.03 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1whk s THR 29 CO -0.02 0.50 0.93 -0.69 -0.69 0.00 0.00 174.62 174.65 1whk s VAL 30 N 0.02 4.86 -0.10 3.82 1.01 -0.06 -1.90 120.40 128.06 1whk s VAL 30 Ca 0.07 1.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 1whk s VAL 30 Cb -0.12 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1whk s VAL 30 CO 0.00 0.09 -0.12 0.54 0.00 0.00 0.00 175.10 175.62 1whk n ARG 31 N 4.53 0.21 -4.80 2.72 5.12 -0.35 -0.42 116.66 123.66 1whk n ARG 31 Ca 0.06 0.09 -0.31 0.00 -1.93 0.00 0.00 57.85 55.75 1whk n ARG 31 Cb 0.50 -0.91 -0.13 0.00 -1.16 0.00 0.00 32.46 30.76 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 -2.18 2.52 -0.21 -1.55 5.04 -1.21 -4.77 117.35 114.99 1whk s TYR 32 Ca -0.14 -0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 54.17 1whk s TYR 32 Cb 0.05 -1.48 0.10 0.00 0.35 0.00 0.00 41.96 40.98 1whk s TYR 32 CO 0.18 0.19 0.28 0.08 -1.34 0.00 0.00 175.55 174.95 1whk s VAL 33 N -0.84 -0.44 -4.85 3.14 1.01 -1.26 -0.66 120.40 116.50 1whk s VAL 33 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1whk s VAL 33 Cb -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1whk s VAL 33 CO 0.03 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1whk n GLY 34 N 5.34 -0.49 3.77 4.51 0.00 -1.21 -5.04 105.19 112.06 1whk n GLY 34 Ca -0.05 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.94 2.43 0.51 1.61 0.04 -1.26 -3.09 135.00 133.30 1whk s PRO 35 Ca 0.00 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.30 1whk s PRO 35 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1whk s PRO 35 CO 0.00 -1.52 0.09 0.95 0.04 0.00 0.00 177.00 176.57 1whk s THR 36 N -2.74 1.35 -0.10 1.26 -4.23 -1.26 -4.94 115.64 104.99 1whk s THR 36 Ca 0.63 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1whk s THR 36 Cb -0.18 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 1whk s THR 36 CO 0.52 0.00 -0.01 0.47 -0.54 0.00 0.00 174.62 175.06 1whk n ASP 37 N -1.35 2.82 0.08 3.99 8.00 -1.26 -4.61 116.55 124.22 1whk n ASP 37 Ca -0.14 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 1whk n ASP 37 Cb 0.66 0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 42.12 1whk n ASP 37 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1whk h PHE 38 N 0.00 0.18 -4.59 1.24 -5.15 -1.98 -3.47 116.94 103.17 1whk h PHE 38 Ca -0.26 -0.13 -0.43 0.00 -0.20 0.00 0.00 57.97 56.96 1whk h PHE 38 Cb 1.52 -0.01 -0.08 0.00 0.22 0.00 0.00 35.95 37.60 1whk h PHE 38 CO 0.00 1.07 -0.32 0.00 -2.00 0.00 0.00 178.31 177.06 1whk n ALA 39 N -2.42 0.32 -3.70 12.09 0.00 -1.26 -5.12 120.51 120.42 1whk n ALA 39 Ca -0.03 -1.51 -0.29 0.00 0.00 0.00 0.00 53.44 51.60 1whk n ALA 39 Cb 0.94 0.88 -0.13 0.00 0.00 0.00 0.00 19.45 21.14 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 -2.84 3.61 0.00 0.00 1.04 -1.26 -4.44 113.70 109.80 1whk s SER 40 Ca 0.04 -2.60 0.00 0.00 0.48 0.00 0.00 55.95 53.87 1whk s SER 40 Cb 0.00 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1whk s SER 40 CO 0.03 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1whk n GLY 41 N 3.57 -0.59 3.58 7.32 0.00 -1.26 -5.07 105.19 112.73 1whk n GLY 41 Ca 0.09 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.00 5.09 0.40 -0.61 1.01 -1.26 -3.98 121.20 118.85 1whk s ILE 42 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1whk s ILE 42 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1whk s ILE 42 CO 0.00 0.31 0.13 0.26 0.00 0.00 0.00 174.94 175.64 1whk s TRP 43 N 1.46 1.78 -0.02 3.97 0.52 -1.18 -4.40 118.94 121.07 1whk s TRP 43 Ca 0.07 -1.29 -0.01 0.00 0.02 0.00 0.00 56.10 54.89 1whk s TRP 43 Cb -0.15 -1.13 0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1whk s TRP 43 CO 0.07 -0.32 0.04 -0.51 0.02 0.00 0.00 176.95 176.26 1whk s LEU 44 N -3.58 1.50 -1.05 2.99 1.43 0.28 -3.34 118.68 116.91 1whk s LEU 44 Ca 0.26 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 1whk s LEU 44 Cb 0.03 0.08 0.16 0.00 0.03 0.00 0.00 46.19 46.49 1whk s LEU 44 CO 0.15 -0.06 1.24 -0.83 0.23 0.00 0.00 176.35 177.08 1whk s GLY 45 N 0.48 2.21 0.83 -3.19 0.00 0.17 -2.44 107.32 105.37 1whk s GLY 45 Ca -0.04 -3.08 -0.11 0.00 0.00 0.00 0.00 44.72 41.49 1whk s GLY 45 CO -0.02 1.97 1.09 1.08 0.00 0.00 0.00 173.10 177.23 1whk s LEU 46 N 1.98 2.50 -0.15 0.66 1.43 -0.29 -1.21 118.68 123.59 1whk s LEU 46 Ca 0.36 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 1whk s LEU 46 Cb -0.04 -3.94 0.07 0.00 0.03 0.00 0.00 46.19 42.30 1whk s LEU 46 CO -0.05 -2.21 0.34 -0.70 0.23 0.00 0.00 176.35 173.95 1whk s GLU 47 N -5.07 0.26 0.23 1.70 2.12 -0.80 -2.88 118.70 114.26 1whk s GLU 47 Ca 0.62 0.81 0.08 0.00 0.36 0.00 0.00 54.97 56.83 1whk s GLU 47 Cb -0.16 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 1whk s GLU 47 CO 0.55 -0.23 0.09 -0.51 -0.54 0.00 0.00 175.26 174.62 1whk s LEU 48 N 2.10 3.52 -0.45 2.70 1.43 -0.92 -3.41 118.68 123.64 1whk s LEU 48 Ca -0.03 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1whk s LEU 48 Cb -0.11 -2.09 0.61 0.00 0.03 0.00 0.00 46.19 44.63 1whk s LEU 48 CO -0.11 0.02 1.89 0.54 0.23 0.00 0.00 176.35 178.92 1whk n ARG 49 N -0.74 2.23 -3.63 1.70 1.74 -1.26 -4.60 116.66 112.10 1whk n ARG 49 Ca -0.08 -2.89 -0.16 0.00 -0.77 0.00 0.00 57.85 53.95 1whk n ARG 49 Cb 0.57 -2.13 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.24 -0.45 -0.98 0.55 0.01 -1.26 -5.08 113.70 105.25 1whk s SER 50 Ca 0.55 0.45 -0.24 0.00 1.31 0.00 0.00 55.95 58.02 1whk s SER 50 Cb 0.46 0.46 -0.09 0.00 0.21 0.00 0.00 66.02 67.06 1whk s SER 50 CO 0.09 -0.53 2.02 0.00 0.41 0.00 0.00 173.24 175.24 1whk s ALA 51 N -1.20 1.46 -0.01 1.44 0.00 -1.26 -4.36 121.76 117.83 1whk s ALA 51 Ca -0.12 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.30 1whk s ALA 51 Cb -0.02 -4.61 0.09 0.00 0.00 0.00 0.00 23.12 18.58 1whk s ALA 51 CO 0.07 -5.27 1.05 1.63 0.00 0.00 0.00 175.76 173.24 1whk n LYS 52 N 8.63 0.04 0.00 0.00 5.02 -1.01 -5.00 118.16 125.84 1whk n LYS 52 Ca 0.42 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1whk n LYS 52 Cb 0.46 0.39 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 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 0.05 4.87 1.65 0.72 0.00 -1.10 -4.93 105.19 106.46 1whk n GLY 53 Ca -0.21 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 0.31 -3.63 1.61 5.02 -1.20 -4.74 118.16 115.53 1whk n LYS 54 Ca 0.00 -1.98 -0.07 0.00 -2.02 0.00 0.00 58.31 54.24 1whk n LYS 54 Cb 0.00 -0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.88 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 -2.02 -0.32 -0.19 4.39 0.01 -1.19 -4.98 114.94 110.65 1whk s ASN 55 Ca 0.25 -0.23 0.16 0.00 -0.71 0.00 0.00 52.86 52.33 1whk s ASN 55 Cb 0.31 0.50 -0.24 0.00 0.41 0.00 0.00 41.25 42.23 1whk s ASN 55 CO -0.12 -0.88 0.11 -0.67 -1.51 0.00 0.00 177.10 174.04 1whk n ASP 56 N -0.38 0.29 0.00 -1.22 2.03 -1.26 -0.68 116.55 115.33 1whk n ASP 56 Ca -0.08 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1whk n ASP 56 Cb 0.62 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.76 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 1.78 0.39 3.37 0.27 0.00 -1.26 -3.57 105.19 106.16 1whk n GLY 57 Ca -0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 2.19 -0.29 4.61 0.00 -1.26 -2.55 121.76 124.47 1whk s ALA 58 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 1whk s ALA 58 Cb 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.01 1whk s ALA 58 CO 0.00 0.27 0.18 0.08 0.00 0.00 0.00 175.76 176.29 1whk s VAL 59 N -2.07 -0.18 0.00 0.00 1.01 -1.10 -5.02 120.40 113.04 1whk s VAL 59 Ca 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1whk s VAL 59 Cb -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1whk s VAL 59 CO 0.08 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1whk n GLY 60 N 5.27 0.95 1.42 4.51 0.00 -1.26 -3.92 105.19 112.16 1whk n GLY 60 Ca -0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 3.82 2.76 -3.87 1.61 9.92 -1.26 -4.99 116.55 124.55 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 -0.68 -0.08 0.00 -0.64 0.00 0.00 41.12 39.72 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 0.81 0.23 -1.24 2.20 -1.25 -5.08 119.74 112.13 1whk s LYS 62 Ca 0.48 -0.93 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 1whk s LYS 62 Cb 0.43 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 37.03 1whk s LYS 62 CO 0.02 -0.25 0.11 0.50 -0.36 0.00 0.00 175.35 175.37 1whk s ARG 63 N -3.69 2.68 0.21 4.03 6.06 -1.26 -2.70 118.95 124.27 1whk s ARG 63 Ca 0.04 -1.13 0.00 0.00 -2.50 0.00 0.00 55.73 52.13 1whk s ARG 63 Cb 0.04 -2.44 0.00 0.00 0.06 0.00 0.00 34.95 32.62 1whk s ARG 63 CO -0.10 0.41 0.00 0.66 -2.50 0.00 0.00 175.30 173.77 1whk n TYR 64 N -0.84 -1.74 -4.27 5.12 4.02 -1.19 -4.96 117.16 113.30 1whk n TYR 64 Ca -0.08 0.31 -0.19 0.00 -0.01 0.00 0.00 57.90 57.93 1whk n TYR 64 Cb 0.57 0.46 -0.08 0.00 -0.02 0.00 0.00 39.34 40.28 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 -2.00 1.74 -0.28 -0.72 -0.12 -1.06 -3.85 117.98 111.70 1whk s PHE 65 Ca 0.00 -1.65 -0.03 0.00 -0.05 0.00 0.00 56.93 55.20 1whk s PHE 65 Cb 0.00 -0.66 0.09 0.00 -0.63 0.00 0.00 43.02 41.82 1whk s PHE 65 CO 0.00 -0.92 0.10 0.99 -0.05 0.00 0.00 175.22 175.34 1whk s THR 66 N -3.34 0.39 0.26 -4.49 2.01 -1.26 -4.44 115.64 104.76 1whk s THR 66 Ca 0.40 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1whk s THR 66 Cb 0.02 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 1whk s THR 66 CO 0.28 -0.61 0.31 0.00 -0.69 0.00 0.00 174.62 173.91 1whk s LYS 68 N -2.75 1.38 -0.04 0.00 1.02 -1.26 -4.65 119.74 113.44 1whk s LYS 68 Ca 0.25 0.46 -0.35 0.00 0.02 0.00 0.00 55.97 56.35 1whk s LYS 68 Cb 0.00 -1.85 -0.13 0.00 -0.52 0.00 0.00 37.83 35.33 1whk s LYS 68 CO 0.18 -2.07 1.78 -2.30 -0.92 0.00 0.00 175.35 172.02 1whk n PRO 69 N -3.71 2.05 -3.10 -1.68 -0.02 -1.26 -2.75 135.00 124.53 1whk n PRO 69 Ca 0.07 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1whk n PRO 69 Cb 0.58 -2.56 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 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 5.64 -6.77 0.00 2.55 4.13 0.14 -4.88 115.26 116.08 1whk n ASN 70 Ca 0.21 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1whk n ASN 70 Cb 0.28 -5.01 0.00 0.00 -1.54 0.00 0.00 39.78 33.50 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 -2.68 0.00 -4.01 3.10 4.02 -1.08 -2.42 117.16 114.09 1whk n TYR 71 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.56 1whk n TYR 71 Cb 0.58 0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.97 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 -4.33 1.88 0.38 2.72 0.00 -1.26 -2.18 107.32 104.53 1whk s GLY 72 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1whk s GLY 72 CO 0.00 -1.05 0.10 -1.34 0.00 0.00 0.00 173.10 170.81 1whk s VAL 73 N -1.61 0.82 -0.09 1.40 -7.23 -1.14 -3.14 120.40 109.41 1whk s VAL 73 Ca 0.32 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1whk s VAL 73 Cb -0.11 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.35 1whk s VAL 73 CO 0.25 0.00 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.12 1whk s LEU 74 N -3.57 1.78 0.22 1.32 1.43 -1.26 -1.14 118.68 117.45 1whk s LEU 74 Ca 0.27 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1whk s LEU 74 Cb 0.05 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 1whk s LEU 74 CO 0.14 0.06 0.28 0.68 0.23 0.00 0.00 176.35 177.73 1whk s VAL 75 N 0.71 0.00 0.16 -1.59 -7.23 -1.02 -4.93 120.40 106.50 1whk s VAL 75 Ca -0.13 -1.76 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1whk s VAL 75 Cb -0.16 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1whk s VAL 75 CO 0.03 0.00 0.08 -0.13 -0.31 0.00 0.00 175.10 174.76 1whk s ARG 76 N -4.07 2.69 0.18 4.82 0.52 -1.26 0.10 118.95 121.93 1whk s ARG 76 Ca 0.32 -0.95 -0.23 0.00 -0.52 0.00 0.00 55.73 54.35 1whk s ARG 76 Cb 0.04 -2.53 0.09 0.00 0.52 0.00 0.00 34.95 33.06 1whk s ARG 76 CO 0.11 0.48 1.57 -1.35 0.02 0.00 0.00 175.30 176.13 1whk h PRO 77 N 2.60 -0.17 -0.14 3.54 0.11 -1.86 1.55 132.00 137.62 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 1.20 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1whk h PRO 77 CO 0.61 -0.11 0.24 0.77 -0.21 0.00 0.00 178.00 179.30 1whk h SER 78 N -0.18 0.00 0.76 -2.05 0.02 -1.96 1.00 113.55 111.15 1whk h SER 78 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 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 -0.72 0.00 -0.47 0.54 -1.14 0.00 0.00 176.83 175.04 1whk n ARG 79 N -3.46 0.14 -4.56 3.45 5.12 0.51 -4.79 116.66 113.07 1whk n ARG 79 Ca 0.01 0.05 -0.30 0.00 -1.93 0.00 0.00 57.85 55.67 1whk n ARG 79 Cb 0.34 -1.59 -0.17 0.00 -1.16 0.00 0.00 32.46 29.88 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 1.78 -0.21 1.55 -7.23 0.35 -2.32 120.40 111.24 1whk s VAL 80 Ca 0.09 -0.81 -0.21 0.00 -1.81 0.00 0.00 61.98 59.24 1whk s VAL 80 Cb 0.16 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 1whk s VAL 80 CO 0.68 0.50 0.65 -0.89 -0.31 0.00 0.00 175.10 175.72 1whk s THR 81 N 0.91 5.00 -0.52 5.32 2.01 0.06 -4.78 115.64 123.64 1whk s THR 81 Ca -0.07 1.21 0.05 0.00 0.31 0.00 0.00 61.69 63.19 1whk s THR 81 Cb -0.15 -3.96 0.19 0.00 0.01 0.00 0.00 72.50 68.59 1whk s THR 81 CO -0.02 0.09 0.44 0.00 -0.69 0.00 0.00 174.62 174.44 1whk n TYR 82 N 5.18 0.84 -3.90 4.92 9.36 -1.26 -2.63 117.16 129.67 1whk n TYR 82 Ca -0.01 -3.73 -0.37 0.00 3.32 0.00 0.00 57.90 57.12 1whk n TYR 82 Cb 0.49 -0.16 -0.06 0.00 -0.63 0.00 0.00 39.34 38.98 1whk n TYR 82 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1whk s ARG 83 N -0.78 3.49 0.00 2.98 0.52 -1.26 -5.05 118.95 118.85 1whk s ARG 83 Ca 0.31 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1whk s ARG 83 Cb 0.04 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.32 1whk s ARG 83 CO -0.17 0.72 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1whk n GLY 84 N 2.16 2.15 5.00 -3.53 0.00 -1.26 -4.88 105.19 104.83 1whk n GLY 84 Ca -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1whk n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1whk n ILE 85 N 0.00 0.00 -1.44 -0.61 2.08 -1.26 -4.88 119.36 113.25 1whk n ILE 85 Ca 0.00 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.35 1whk n ILE 85 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.87 1whk n ILE 85 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1whk n SER 86 N 1.74 -7.76 -2.72 4.38 7.64 -1.26 -5.01 113.62 110.63 1whk n SER 86 Ca 0.00 1.67 -0.05 0.00 1.01 0.00 0.00 58.87 61.50 1whk n SER 86 Cb 0.00 -4.66 0.04 0.00 -1.01 0.00 0.00 64.21 58.58 1whk n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whk n GLY 87 N -2.91 -0.83 3.76 0.23 0.00 -1.26 -5.15 105.19 99.04 1whk n GLY 87 Ca -0.02 0.64 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 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 0.74 4.47 -0.02 1.61 0.04 -1.26 -5.05 135.00 135.53 1whk s PRO 88 Ca 0.29 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1whk s PRO 88 Cb 0.12 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.55 1whk s PRO 88 CO -0.12 -0.01 -0.12 -1.54 0.04 0.00 0.00 177.00 175.25 1whk s SER 89 N -0.69 1.53 -0.41 6.66 1.04 -1.26 -4.92 113.70 115.64 1whk s SER 89 Ca 0.47 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 1whk s SER 89 Cb -0.36 -0.31 0.02 0.00 0.10 0.00 0.00 66.02 65.47 1whk s SER 89 CO 0.47 0.12 0.53 -1.20 0.98 0.00 0.00 173.24 174.14 1whk n SER 90 N 3.03 -7.85 0.00 7.02 7.64 -1.26 -5.38 113.62 116.82 1whk n SER 90 Ca -0.16 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1whk n SER 90 Cb 0.55 -5.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.43 1whk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64