#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 -0.29 -0.18 1.61 1.04 -1.26 -5.18 113.70 109.45 1whk s SER 2 Ca 0.00 0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 1whk s SER 2 Cb 0.00 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1whk s SER 2 CO 0.00 -0.41 0.46 -0.94 0.98 0.00 0.00 173.24 173.33 1whk s SER 3 N -1.95 -0.50 0.00 7.02 1.04 -1.26 -5.09 113.70 112.96 1whk s SER 3 Ca 0.05 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1whk s SER 3 Cb -0.01 0.92 0.00 0.00 0.10 0.00 0.00 66.02 67.03 1whk s SER 3 CO -0.05 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1whk n GLY 4 N 3.14 -0.14 3.90 7.32 0.00 -1.26 -5.14 105.19 113.02 1whk n GLY 4 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1whk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whk s SER 5 N -3.50 5.20 -0.89 1.61 0.15 -1.26 -5.07 113.70 109.94 1whk s SER 5 Ca 0.00 -0.66 -0.10 0.00 0.70 0.00 0.00 55.95 55.89 1whk s SER 5 Cb 0.00 -0.62 0.23 0.00 -1.71 0.00 0.00 66.02 63.92 1whk s SER 5 CO 0.00 -0.66 0.83 -0.44 1.20 0.00 0.00 173.24 174.17 1whk s SER 6 N -4.17 6.65 -1.52 5.45 0.01 -1.26 -4.57 113.70 114.29 1whk s SER 6 Ca 0.49 -3.08 0.00 0.00 1.31 0.00 0.00 55.95 54.67 1whk s SER 6 Cb -0.05 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1whk s SER 6 CO 0.29 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1whk n GLY 7 N 3.37 -0.09 3.78 3.44 0.00 -1.26 -4.99 105.19 109.44 1whk n GLY 7 Ca 0.17 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.69 2.95 -0.03 1.61 2.12 -1.26 -5.03 118.70 114.37 1whk s GLU 8 Ca 0.00 -0.63 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 1whk s GLU 8 Cb 0.00 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1whk s GLU 8 CO 0.00 0.59 -0.03 0.41 -0.54 0.00 0.00 175.26 175.69 1whk n GLY 9 N 0.62 -0.05 1.52 -1.50 0.00 -1.26 -4.90 105.19 99.63 1whk n GLY 9 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1whk n GLY 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1whk n THR 10 N -2.76 -4.94 0.05 2.61 -1.04 -1.26 -5.07 114.28 101.87 1whk n THR 10 Ca -0.06 2.19 0.00 0.00 -2.04 0.00 0.00 64.05 64.15 1whk n THR 10 Cb 0.55 -3.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 1whk n THR 10 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1whk n VAL 11 N 0.06 0.00 -1.46 12.58 0.31 -1.26 -5.17 118.33 123.39 1whk n VAL 11 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 1whk n VAL 11 Cb 0.00 -0.11 -0.06 0.00 -0.91 0.00 0.00 33.84 32.76 1whk n VAL 11 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1whk n LYS 12 N -2.80 -3.04 -2.02 5.55 4.01 -1.26 -4.76 118.16 113.84 1whk n LYS 12 Ca 0.00 2.13 -0.38 0.00 -0.51 0.00 0.00 58.31 59.55 1whk n LYS 12 Cb 0.00 -3.68 0.01 0.00 -0.51 0.00 0.00 35.03 30.86 1whk n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1whk s LEU 13 N -7.22 4.00 0.56 -0.35 1.43 -1.26 -5.04 118.68 110.80 1whk s LEU 13 Ca 0.00 2.58 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1whk s LEU 13 Cb 0.00 -4.17 0.06 0.00 0.03 0.00 0.00 46.19 42.11 1whk s LEU 13 CO 0.00 -1.16 0.57 -2.28 0.23 0.00 0.00 176.35 173.71 1whk s HIS 14 N -1.38 1.51 -0.24 0.29 2.46 -1.26 -5.04 115.29 111.63 1whk s HIS 14 Ca 0.65 -0.80 -0.28 0.00 0.47 0.00 0.00 55.06 55.10 1whk s HIS 14 Cb -0.36 -2.04 0.01 0.00 -0.13 0.00 0.00 32.58 30.06 1whk s HIS 14 CO 0.44 -0.78 0.99 -1.21 -2.47 0.00 0.00 174.74 171.70 1whk s GLU 15 N -4.45 4.23 0.00 2.88 2.02 -1.26 -3.53 118.70 118.59 1whk s GLU 15 Ca 0.46 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.68 1whk s GLU 15 Cb -0.04 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.55 1whk s GLU 15 CO 0.29 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1whk n GLY 16 N 3.46 1.33 3.96 -1.39 0.00 -0.91 -5.04 105.19 106.60 1whk n GLY 16 Ca 0.10 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.35 5.45 -0.23 1.61 0.01 -1.23 -4.76 113.70 112.20 1whk s SER 17 Ca 0.00 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.42 1whk s SER 17 Cb 0.00 -1.17 0.02 0.00 0.21 0.00 0.00 66.02 65.08 1whk s SER 17 CO 0.00 -1.03 -0.09 -1.10 0.41 0.00 0.00 173.24 171.44 1whk s GLN 18 N -4.75 2.98 0.46 12.44 -1.52 -1.26 -1.19 119.66 126.83 1whk s GLN 18 Ca 0.54 -0.87 0.03 0.00 -1.95 0.00 0.00 55.36 53.11 1whk s GLN 18 Cb -0.10 -2.91 -0.03 0.00 -0.22 0.00 0.00 33.01 29.75 1whk s GLN 18 CO 0.39 -0.32 0.04 0.14 -0.25 0.00 0.00 175.29 175.29 1whk s VAL 19 N 1.35 1.13 0.02 1.09 -7.23 -1.01 -4.60 120.40 111.14 1whk s VAL 19 Ca 0.02 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1whk s VAL 19 Cb -0.15 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1whk s VAL 19 CO -0.06 0.00 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.42 1whk s LEU 20 N -3.76 2.10 0.26 1.32 2.96 0.16 -1.65 118.68 120.07 1whk s LEU 20 Ca 0.16 -0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1whk s LEU 20 Cb 0.03 -0.39 -0.08 0.00 0.50 0.00 0.00 46.19 46.25 1whk s LEU 20 CO 0.09 0.01 0.70 -0.76 -1.32 0.00 0.00 176.35 175.07 1whk s LEU 21 N -0.71 4.20 -0.48 -0.68 1.43 -1.09 -1.35 118.68 120.01 1whk s LEU 21 Ca -0.00 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 1whk s LEU 21 Cb -0.06 -3.78 0.64 0.00 0.03 0.00 0.00 46.19 43.02 1whk s LEU 21 CO 0.00 -0.08 1.93 0.35 0.23 0.00 0.00 176.35 178.79 1whk n THR 22 N 0.17 3.26 0.00 5.49 -2.24 -1.12 -3.17 114.28 116.67 1whk n THR 22 Ca 0.00 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 1whk n THR 22 Cb 0.52 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.12 0.00 0.04 3.42 7.64 -1.26 -4.89 113.62 117.45 1whk n SER 23 Ca 0.60 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.59 1whk n SER 23 Cb 1.56 0.00 -0.09 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 0.39 -2.34 6.43 7.64 -1.26 -4.99 113.62 117.25 1whk n SER 24 Ca 0.00 0.15 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 1whk n SER 24 Cb 0.00 1.25 0.04 0.00 -1.01 0.00 0.00 64.21 64.49 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 -2.47 -4.69 -4.03 6.43 5.15 -1.19 -5.03 115.26 109.43 1whk n ASN 25 Ca -0.03 -0.30 -0.22 0.00 -0.60 0.00 0.00 54.58 53.43 1whk n ASN 25 Cb 0.59 -3.34 -0.16 0.00 -0.53 0.00 0.00 39.78 36.34 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 -5.70 1.17 0.47 1.20 0.41 -1.26 -4.93 118.70 110.06 1whk s GLU 26 Ca 0.33 -0.38 -0.16 0.00 -0.41 0.00 0.00 54.97 54.36 1whk s GLU 26 Cb -0.15 -1.06 -0.08 0.00 -1.78 0.00 0.00 34.13 31.06 1whk s GLU 26 CO 0.41 0.14 0.92 -1.64 -0.49 0.00 0.00 175.26 174.60 1whk s MET 27 N 0.18 3.94 0.08 1.61 -1.94 -1.26 -2.67 119.30 119.23 1whk s MET 27 Ca -0.04 0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 54.66 1whk s MET 27 Cb -0.09 -2.21 0.02 0.00 2.01 0.00 0.00 34.83 34.55 1whk s MET 27 CO 0.01 -0.17 0.30 0.00 -0.01 0.00 0.00 175.02 175.15 1whk s ALA 28 N -2.49 -0.64 0.15 3.03 0.00 -0.66 -4.93 121.76 116.22 1whk s ALA 28 Ca 0.57 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 1whk s ALA 28 Cb -0.10 0.48 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 1whk s ALA 28 CO 0.29 -0.51 0.61 0.99 0.00 0.00 0.00 175.76 177.14 1whk s THR 29 N -3.29 4.73 0.04 0.00 2.01 -1.07 -2.41 115.64 115.65 1whk s THR 29 Ca 0.00 1.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.84 1whk s THR 29 Cb 0.02 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1whk s THR 29 CO -0.08 0.33 0.75 -0.69 -0.69 0.00 0.00 174.62 174.24 1whk s VAL 30 N -1.37 4.75 -0.03 3.82 1.01 -0.33 -1.68 120.40 126.57 1whk s VAL 30 Ca 0.37 1.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 1whk s VAL 30 Cb -0.17 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1whk s VAL 30 CO 0.20 0.37 -0.03 0.54 0.00 0.00 0.00 175.10 176.17 1whk n ARG 31 N 2.82 0.07 -4.68 2.72 5.12 -0.40 -2.15 116.66 120.16 1whk n ARG 31 Ca -0.03 0.02 -0.26 0.00 -1.93 0.00 0.00 57.85 55.65 1whk n ARG 31 Cb 0.50 -0.86 -0.14 0.00 -1.16 0.00 0.00 32.46 30.81 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 -2.05 1.85 -0.23 -1.55 6.14 -1.22 -4.85 117.35 115.43 1whk s TYR 32 Ca -0.04 -0.38 -0.03 0.00 0.64 0.00 0.00 57.07 57.26 1whk s TYR 32 Cb 0.01 -1.11 0.11 0.00 0.42 0.00 0.00 41.96 41.39 1whk s TYR 32 CO 0.06 0.09 0.24 0.08 0.64 0.00 0.00 175.55 176.65 1whk s VAL 33 N -0.79 -0.33 -5.00 3.14 1.01 -1.26 -2.19 120.40 114.98 1whk s VAL 33 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1whk s VAL 33 Cb -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1whk s VAL 33 CO 0.02 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1whk n GLY 34 N 5.31 -2.04 3.43 4.51 0.00 -1.23 -5.09 105.19 110.09 1whk n GLY 34 Ca -0.05 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.92 -0.16 -3.69 1.61 -0.02 -1.25 -3.79 135.00 126.78 1whk n PRO 35 Ca 0.00 -0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.24 1whk n PRO 35 Cb 0.00 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.29 1.94 -0.10 3.45 -4.23 -1.26 -4.87 115.64 108.28 1whk s THR 36 Ca 0.59 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 1whk s THR 36 Cb -0.24 -2.32 -0.11 0.00 1.34 0.00 0.00 72.50 71.17 1whk s THR 36 CO 0.65 0.00 0.01 -0.67 -0.54 0.00 0.00 174.62 174.08 1whk n ASP 37 N -1.79 2.75 -0.03 3.99 2.03 -1.26 -3.65 116.55 118.58 1whk n ASP 37 Ca 0.02 -0.01 -0.22 0.00 0.52 0.00 0.00 54.79 55.11 1whk n ASP 37 Cb 0.63 0.61 -0.13 0.00 -0.72 0.00 0.00 41.12 41.51 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 0.32 0.02 -0.67 -0.00 -1.97 -3.40 116.94 111.23 1whk h PHE 38 Ca -0.25 -0.23 -0.36 0.00 -0.00 0.00 0.00 57.97 57.13 1whk h PHE 38 Cb 1.55 -0.01 -0.05 0.00 -0.00 0.00 0.00 35.95 37.44 1whk h PHE 38 CO 0.00 1.65 -2.17 0.00 -0.00 0.00 0.00 178.31 177.79 1whk n ALA 39 N -3.14 1.36 -2.91 12.09 0.00 -1.26 -5.05 120.51 121.60 1whk n ALA 39 Ca -0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 53.44 52.10 1whk n ALA 39 Cb 0.90 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1whk n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whk n SER 40 N -3.09 -7.64 0.00 0.00 2.88 -1.24 -4.96 113.62 99.56 1whk n SER 40 Ca -0.32 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1whk n SER 40 Cb 1.07 -5.18 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 1whk n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 41 N -1.14 1.61 2.68 0.46 0.00 -1.26 -4.82 105.19 102.73 1whk n GLY 41 Ca 0.05 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 2.02 -0.26 0.24 -0.61 1.01 -1.26 -3.95 121.20 118.39 1whk s ILE 42 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1whk s ILE 42 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1whk s ILE 42 CO 0.00 -0.43 0.13 0.26 0.00 0.00 0.00 174.94 174.90 1whk s TRP 43 N 2.26 1.37 -0.07 3.97 0.52 -1.25 -4.36 118.94 121.37 1whk s TRP 43 Ca 0.08 -1.33 -0.02 0.00 0.02 0.00 0.00 56.10 54.85 1whk s TRP 43 Cb -0.15 -0.71 0.03 0.00 -1.15 0.00 0.00 33.47 31.49 1whk s TRP 43 CO -0.25 -0.54 0.03 -0.51 0.02 0.00 0.00 176.95 175.71 1whk s LEU 44 N -3.25 0.43 -0.93 2.99 1.43 -0.81 -3.51 118.68 115.04 1whk s LEU 44 Ca 0.38 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.14 1whk s LEU 44 Cb 0.07 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.91 1whk s LEU 44 CO 0.14 -0.23 1.95 -0.83 0.23 0.00 0.00 176.35 177.61 1whk s GLY 45 N 2.05 0.17 0.73 -3.19 0.00 -0.93 -3.80 107.32 102.35 1whk s GLY 45 Ca 0.04 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1whk s GLY 45 CO -0.05 3.50 1.11 1.08 0.00 0.00 0.00 173.10 178.74 1whk s LEU 46 N 10.21 2.79 -0.02 0.66 1.43 -1.01 -1.28 118.68 131.47 1whk s LEU 46 Ca 0.70 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.72 1whk s LEU 46 Cb -0.06 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1whk s LEU 46 CO 0.01 -1.51 0.11 -0.70 0.23 0.00 0.00 176.35 174.49 1whk s GLU 47 N -5.40 0.29 0.46 1.70 2.12 -0.68 -3.13 118.70 114.06 1whk s GLU 47 Ca 0.59 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.85 1whk s GLU 47 Cb -0.11 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 1whk s GLU 47 CO 0.50 -0.06 0.22 -0.51 -0.54 0.00 0.00 175.26 174.87 1whk s LEU 48 N -0.65 2.89 -0.12 2.70 1.43 -1.16 -2.59 118.68 121.18 1whk s LEU 48 Ca -0.07 -1.20 0.12 0.00 -1.03 0.00 0.00 54.13 51.95 1whk s LEU 48 Cb -0.04 -1.29 -0.24 0.00 0.03 0.00 0.00 46.19 44.65 1whk s LEU 48 CO 0.01 -0.74 0.39 -1.14 0.23 0.00 0.00 176.35 175.09 1whk n ARG 49 N -1.39 0.66 -4.32 1.70 0.63 -1.26 -4.84 116.66 107.85 1whk n ARG 49 Ca -0.04 0.18 -0.30 0.00 -0.92 0.00 0.00 57.85 56.78 1whk n ARG 49 Cb 0.65 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 31.84 1whk n ARG 49 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1whk n SER 50 N -3.00 3.13 -4.51 6.15 7.64 -1.26 -5.08 113.62 116.69 1whk n SER 50 Ca -0.25 -3.08 -0.42 0.00 1.01 0.00 0.00 58.87 56.12 1whk n SER 50 Cb 1.08 0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 64.44 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 -2.84 3.05 -0.03 -0.43 0.00 -1.26 -4.60 121.76 115.65 1whk s ALA 51 Ca 0.13 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1whk s ALA 51 Cb -0.01 -3.90 0.03 0.00 0.00 0.00 0.00 23.12 19.24 1whk s ALA 51 CO 0.08 -2.70 0.84 1.63 0.00 0.00 0.00 175.76 175.61 1whk n LYS 52 N 8.00 0.11 -1.09 0.00 5.02 -0.89 -4.98 118.16 124.32 1whk n LYS 52 Ca 0.01 -0.81 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 1whk n LYS 52 Cb 0.47 0.48 0.00 0.00 -0.02 0.00 0.00 35.03 35.97 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 -0.12 3.19 0.23 0.72 0.00 -1.06 -4.90 105.19 103.25 1whk n GLY 53 Ca -0.21 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.46 0.02 -2.44 1.61 5.02 -1.02 -4.65 118.16 116.24 1whk n LYS 54 Ca 0.00 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1whk n LYS 54 Cb 0.00 -0.90 0.05 0.00 -0.02 0.00 0.00 35.03 34.16 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 -4.30 5.04 -0.13 4.39 0.01 -1.20 -4.75 114.94 114.00 1whk s ASN 55 Ca -0.01 0.19 0.17 0.00 -0.71 0.00 0.00 52.86 52.49 1whk s ASN 55 Cb 0.00 -0.95 -0.24 0.00 0.41 0.00 0.00 41.25 40.47 1whk s ASN 55 CO 0.02 -1.37 0.31 -0.90 -1.51 0.00 0.00 177.10 173.65 1whk n ASP 56 N -2.61 0.30 0.00 -1.22 5.68 -1.26 -2.66 116.55 114.78 1whk n ASP 56 Ca 0.08 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1whk n ASP 56 Cb 0.60 0.71 0.00 0.00 -1.14 0.00 0.00 41.12 41.29 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whk n GLY 57 N 1.64 0.44 3.27 6.12 0.00 -1.26 -4.31 105.19 111.09 1whk n GLY 57 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 1.22 -0.30 4.61 0.00 -1.26 -2.28 121.76 123.75 1whk s ALA 58 Ca 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.21 1whk s ALA 58 Cb 0.00 1.37 0.10 0.00 0.00 0.00 0.00 23.12 24.59 1whk s ALA 58 CO 0.00 -0.65 0.11 0.08 0.00 0.00 0.00 175.76 175.31 1whk s VAL 59 N -3.88 0.38 0.00 0.00 1.01 -1.10 -5.00 120.40 111.81 1whk s VAL 59 Ca 0.38 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1whk s VAL 59 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1whk s VAL 59 CO 0.17 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1whk n GLY 60 N 5.06 1.78 0.02 4.51 0.00 -1.26 -3.30 105.19 112.00 1whk n GLY 60 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1whk n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whk n ASP 61 N 8.77 2.53 -4.88 1.61 2.03 -1.26 -5.02 116.55 120.32 1whk n ASP 61 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1whk n ASP 61 Cb 0.00 1.17 0.03 0.00 -0.72 0.00 0.00 41.12 41.60 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1whk s LYS 62 N -2.53 3.24 0.10 -0.67 2.36 -1.21 -5.09 119.74 115.94 1whk s LYS 62 Ca -0.04 0.51 0.07 0.00 -2.55 0.00 0.00 55.97 53.96 1whk s LYS 62 Cb 0.05 -2.10 -0.03 0.00 -1.05 0.00 0.00 37.83 34.69 1whk s LYS 62 CO 0.43 -0.73 -0.19 0.50 1.55 0.00 0.00 175.35 176.91 1whk s ARG 63 N -5.19 1.06 0.05 4.03 6.06 -1.26 -2.70 118.95 121.00 1whk s ARG 63 Ca 0.55 -1.14 0.00 0.00 -2.50 0.00 0.00 55.73 52.65 1whk s ARG 63 Cb -0.11 -1.23 0.00 0.00 0.06 0.00 0.00 34.95 33.67 1whk s ARG 63 CO 0.51 0.28 0.00 0.66 -2.50 0.00 0.00 175.30 174.25 1whk n TYR 64 N 1.04 -0.34 -4.21 5.12 4.01 -1.22 -4.99 117.16 116.58 1whk n TYR 64 Ca -0.19 0.06 -0.15 0.00 -0.16 0.00 0.00 57.90 57.46 1whk n TYR 64 Cb 0.54 0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 39.73 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 -2.00 1.33 -0.08 -0.72 -0.71 -0.97 -3.69 117.98 111.15 1whk s PHE 65 Ca 0.00 -1.44 0.01 0.00 -1.04 0.00 0.00 56.93 54.46 1whk s PHE 65 Cb 0.00 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.30 1whk s PHE 65 CO 0.00 -0.80 -0.10 0.99 -1.34 0.00 0.00 175.22 173.97 1whk s THR 66 N -3.77 1.06 0.03 -4.49 2.01 -1.26 -4.43 115.64 104.79 1whk s THR 66 Ca 0.38 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 1whk s THR 66 Cb 0.04 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.64 1whk s THR 66 CO 0.19 0.35 1.23 0.00 -0.69 0.00 0.00 174.62 175.69 1whk s LYS 68 N -2.10 1.49 0.02 0.00 3.01 -1.26 -4.76 119.74 116.14 1whk s LYS 68 Ca 0.26 0.60 -0.34 0.00 -1.01 0.00 0.00 55.97 55.48 1whk s LYS 68 Cb -0.00 -1.85 -0.13 0.00 -1.01 0.00 0.00 37.83 34.83 1whk s LYS 68 CO 0.00 -2.03 1.71 -2.30 0.51 0.00 0.00 175.35 173.25 1whk n PRO 69 N -3.70 2.07 -3.05 -1.68 -0.02 -1.26 -2.91 135.00 124.45 1whk n PRO 69 Ca 0.07 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 1whk n PRO 69 Cb 0.57 -2.55 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 4.94 -6.78 0.00 2.55 3.02 -1.09 -4.90 115.26 113.00 1whk n ASN 70 Ca 0.20 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1whk n ASN 70 Cb 0.28 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.52 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 -2.50 0.00 -2.92 3.10 4.02 -1.14 -2.10 117.16 115.61 1whk n TYR 71 Ca -0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.66 1whk n TYR 71 Cb 0.56 0.19 0.05 0.00 -0.02 0.00 0.00 39.34 40.12 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 -4.81 1.81 -0.04 2.72 0.00 -1.26 -3.01 107.32 102.74 1whk s GLY 72 Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 44.72 42.72 1whk s GLY 72 CO 0.00 -1.48 0.33 -1.34 0.00 0.00 0.00 173.10 170.61 1whk s VAL 73 N -2.65 0.04 -0.29 1.40 -7.23 -1.18 -2.44 120.40 108.05 1whk s VAL 73 Ca 0.60 -0.36 -0.09 0.00 -1.81 0.00 0.00 61.98 60.31 1whk s VAL 73 Cb -0.07 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 1whk s VAL 73 CO 0.38 -0.20 0.13 -0.76 -0.31 0.00 0.00 175.10 174.34 1whk s LEU 74 N -1.01 3.91 0.43 1.32 1.43 -1.26 -2.40 118.68 121.10 1whk s LEU 74 Ca -0.11 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1whk s LEU 74 Cb -0.05 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1whk s LEU 74 CO 0.04 -0.13 0.14 0.68 0.23 0.00 0.00 176.35 177.30 1whk s VAL 75 N 1.63 0.55 0.15 -1.59 -7.23 -1.25 -4.96 120.40 107.71 1whk s VAL 75 Ca 0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 1whk s VAL 75 Cb -0.16 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1whk s VAL 75 CO 0.06 0.00 0.09 -0.13 -0.31 0.00 0.00 175.10 174.81 1whk s ARG 76 N -3.67 2.76 0.18 4.82 0.52 -1.26 -1.92 118.95 120.37 1whk s ARG 76 Ca 0.20 -0.91 -0.24 0.00 -0.52 0.00 0.00 55.73 54.27 1whk s ARG 76 Cb 0.01 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 32.97 1whk s ARG 76 CO 0.14 0.49 1.57 -1.35 0.02 0.00 0.00 175.30 176.17 1whk h PRO 77 N 2.62 -0.19 -0.14 3.54 0.11 -1.86 1.53 132.00 137.61 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 0.62 -0.13 0.24 1.03 -0.21 0.00 0.00 178.00 179.56 1whk h SER 78 N -0.20 0.00 0.62 -2.05 0.87 -1.96 0.99 113.55 111.83 1whk h SER 78 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1whk h SER 78 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1whk h SER 78 CO -0.71 0.00 -0.49 0.54 -0.53 0.00 0.00 176.83 175.64 1whk n ARG 79 N -3.43 0.07 -4.46 2.24 5.12 0.50 -4.80 116.66 111.89 1whk n ARG 79 Ca 0.01 0.02 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 1whk n ARG 79 Cb 0.35 -1.54 -0.17 0.00 -1.16 0.00 0.00 32.46 29.94 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 -3.04 1.52 0.21 1.55 -7.23 0.34 -2.80 120.40 110.96 1whk s VAL 80 Ca 0.10 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 59.71 1whk s VAL 80 Cb 0.17 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1whk s VAL 80 CO 0.69 0.45 -0.08 0.42 -0.31 0.00 0.00 175.10 176.26 1whk s THR 81 N 0.98 3.18 0.18 5.32 -4.23 -0.46 -4.76 115.64 115.85 1whk s THR 81 Ca -0.07 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.41 1whk s THR 81 Cb -0.15 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.13 1whk s THR 81 CO -0.02 -0.21 0.65 -0.72 -0.54 0.00 0.00 174.62 173.78 1whk s TYR 82 N -1.95 -0.45 -0.20 3.99 1.13 -1.26 0.36 117.35 118.97 1whk s TYR 82 Ca 0.27 0.19 -0.01 0.00 -1.41 0.00 0.00 57.07 56.11 1whk s TYR 82 Cb -0.08 0.59 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 1whk s TYR 82 CO 0.16 -0.92 -0.13 1.03 -2.51 0.00 0.00 175.55 173.19 1whk s ARG 83 N -3.74 3.13 0.00 -3.49 1.81 -1.26 -4.87 118.95 110.52 1whk s ARG 83 Ca 0.04 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1whk s ARG 83 Cb -0.02 -2.76 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 1whk s ARG 83 CO -0.08 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 174.73 1whk n GLY 84 N 4.69 0.00 0.09 -3.53 0.00 -1.26 -5.05 105.19 100.13 1whk n GLY 84 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.40 -0.61 5.41 -1.26 -5.15 119.36 116.35 1whk n ILE 85 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 1whk n ILE 85 Cb 0.00 -0.59 -0.09 0.00 -0.71 0.00 0.00 39.64 38.25 1whk n ILE 85 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1whk n SER 86 N -2.54 -7.70 -4.67 4.38 2.88 -1.26 -4.84 113.62 99.86 1whk n SER 86 Ca 0.00 1.39 -0.36 0.00 -1.33 0.00 0.00 58.87 58.57 1whk n SER 86 Cb 0.50 -4.81 -0.09 0.00 -0.75 0.00 0.00 64.21 59.05 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 -7.18 1.98 0.13 0.46 0.00 -1.26 -5.07 107.32 96.37 1whk s GLY 87 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1whk s GLY 87 CO 0.00 0.24 1.22 2.56 0.00 0.00 0.00 173.10 177.13 1whk s PRO 88 N 0.71 4.45 -0.21 2.90 0.04 -1.26 -5.01 135.00 136.62 1whk s PRO 88 Ca 0.07 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 1whk s PRO 88 Cb -0.13 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1whk s PRO 88 CO 0.01 -0.20 0.60 0.45 0.04 0.00 0.00 177.00 177.91 1whk s SER 89 N 0.61 6.64 -0.30 6.66 0.15 -1.26 -5.01 113.70 121.18 1whk s SER 89 Ca 0.57 0.77 0.04 0.00 0.70 0.00 0.00 55.95 58.03 1whk s SER 89 Cb -0.32 -2.33 0.17 0.00 -1.71 0.00 0.00 66.02 61.83 1whk s SER 89 CO 0.33 -0.26 0.48 -0.55 1.20 0.00 0.00 173.24 174.43 1whk s SER 90 N 1.23 -0.30 0.00 5.45 0.15 -1.26 -5.36 113.70 113.61 1whk s SER 90 Ca 0.27 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1whk s SER 90 Cb -0.16 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1whk s SER 90 CO 0.10 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.83