#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 -1.34 -1.67 1.61 0.15 -1.26 -4.92 113.70 106.27 1whk s SER 2 Ca 0.00 1.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.66 1whk s SER 2 Cb 0.00 2.20 0.00 0.00 -1.71 0.00 0.00 66.02 66.51 1whk s SER 2 CO 0.00 -0.25 0.23 -0.24 1.20 0.00 0.00 173.24 174.18 1whk n SER 3 N 5.43 -5.93 -1.04 5.45 2.88 -1.26 -4.00 113.62 115.16 1whk n SER 3 Ca -0.03 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1whk n SER 3 Cb 0.51 -4.86 0.00 0.00 -0.75 0.00 0.00 64.21 59.10 1whk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 4 N -1.21 -0.19 1.35 0.46 0.00 -1.26 -5.08 105.19 99.26 1whk n GLY 4 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.42 0.55 -3.82 1.61 7.64 -1.26 -5.02 113.62 112.91 1whk n SER 5 Ca 0.00 0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.81 1whk n SER 5 Cb 0.07 -0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1whk n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whk s SER 6 N -5.47 2.81 0.00 6.43 0.01 -1.26 -4.76 113.70 111.46 1whk s SER 6 Ca 0.00 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1whk s SER 6 Cb 0.00 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1whk s SER 6 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1whk n GLY 7 N 4.96 1.59 1.22 3.44 0.00 -1.26 -4.45 105.19 110.68 1whk n GLY 7 Ca -0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.08 1whk n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whk n GLU 8 N -0.53 -2.45 -3.32 1.61 1.02 -1.26 -4.89 120.64 110.82 1whk n GLU 8 Ca 0.00 1.70 -0.10 0.00 -0.02 0.00 0.00 57.16 58.74 1whk n GLU 8 Cb 0.00 -3.00 -0.06 0.00 -0.02 0.00 0.00 31.44 28.35 1whk n GLU 8 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1whk s GLY 9 N -6.18 -0.52 -0.53 0.62 0.00 -1.26 -4.82 107.32 94.63 1whk s GLY 9 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1whk s GLY 9 CO 0.00 3.00 1.96 -0.37 0.00 0.00 0.00 173.10 177.69 1whk n THR 10 N 5.33 3.33 -2.92 0.90 5.66 -1.26 -4.89 114.28 120.43 1whk n THR 10 Ca 0.01 -2.32 -0.44 0.00 -3.05 0.00 0.00 64.05 58.25 1whk n THR 10 Cb 0.49 -0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 68.39 1whk n THR 10 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1whk s VAL 11 N -3.87 4.51 -0.69 1.08 1.01 -1.26 -4.94 120.40 116.23 1whk s VAL 11 Ca 0.58 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1whk s VAL 11 Cb 0.47 -4.67 0.22 0.00 0.00 0.00 0.00 36.38 32.40 1whk s VAL 11 CO 0.05 -1.41 0.67 0.29 0.00 0.00 0.00 175.10 174.69 1whk n LYS 12 N 7.18 2.31 -3.67 2.72 5.02 -1.26 -5.02 118.16 125.44 1whk n LYS 12 Ca 0.02 -4.59 -0.15 0.00 -2.02 0.00 0.00 58.31 51.56 1whk n LYS 12 Cb 0.46 -2.29 -0.14 0.00 -0.02 0.00 0.00 35.03 33.04 1whk n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1whk s LEU 13 N -2.04 -0.16 0.07 -0.35 1.43 -1.26 -5.03 118.68 111.34 1whk s LEU 13 Ca 0.33 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1whk s LEU 13 Cb 0.06 0.50 0.00 0.00 0.03 0.00 0.00 46.19 46.78 1whk s LEU 13 CO -0.08 -0.24 0.00 0.00 0.23 0.00 0.00 176.35 176.26 1whk n HIS 14 N 5.28 -0.34 -3.64 0.29 1.44 -1.26 -4.99 115.22 112.00 1whk n HIS 14 Ca -0.06 0.06 -0.02 0.00 -2.01 0.00 0.00 57.72 55.68 1whk n HIS 14 Cb 0.50 0.17 -0.02 0.00 0.12 0.00 0.00 29.99 30.76 1whk n HIS 14 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1whk s GLU 15 N -2.00 0.04 -1.79 -1.40 2.12 -1.26 -4.63 118.70 109.79 1whk s GLU 15 Ca 0.00 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1whk s GLU 15 Cb 0.00 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.41 1whk s GLU 15 CO 0.00 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1whk n GLY 16 N -0.01 -0.06 3.89 -1.50 0.00 -1.14 -4.99 105.19 101.39 1whk n GLY 16 Ca 0.05 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.21 5.39 -0.09 1.61 0.01 -1.26 -4.95 113.70 112.19 1whk s SER 17 Ca 0.00 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.81 1whk s SER 17 Cb 0.00 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.31 1whk s SER 17 CO 0.00 -0.45 -0.18 -1.10 0.41 0.00 0.00 173.24 171.92 1whk s GLN 18 N -4.08 2.46 0.02 12.44 -1.52 -1.26 -1.64 119.66 126.08 1whk s GLN 18 Ca 0.44 -0.67 0.03 0.00 -1.95 0.00 0.00 55.36 53.21 1whk s GLN 18 Cb -0.06 -1.95 -0.02 0.00 -0.22 0.00 0.00 33.01 30.76 1whk s GLN 18 CO 0.28 0.06 -0.08 0.14 -0.25 0.00 0.00 175.29 175.44 1whk s VAL 19 N 0.62 0.62 -0.13 1.09 -7.23 -0.86 -4.62 120.40 109.88 1whk s VAL 19 Ca -0.14 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.25 1whk s VAL 19 Cb -0.16 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1whk s VAL 19 CO 0.04 -0.12 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.43 1whk s LEU 20 N -0.97 3.15 0.37 1.32 2.96 0.18 -0.79 118.68 124.90 1whk s LEU 20 Ca -0.03 -0.14 -0.28 0.00 -0.22 0.00 0.00 54.13 53.46 1whk s LEU 20 Cb -0.07 -1.74 -0.10 0.00 0.50 0.00 0.00 46.19 44.79 1whk s LEU 20 CO 0.00 0.21 1.34 -0.76 -1.32 0.00 0.00 176.35 175.82 1whk s LEU 21 N 0.12 4.33 -0.49 -0.68 1.43 -1.16 -2.31 118.68 119.92 1whk s LEU 21 Ca -0.02 2.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.84 1whk s LEU 21 Cb -0.14 -3.74 0.56 0.00 0.03 0.00 0.00 46.19 42.90 1whk s LEU 21 CO 0.03 -0.71 1.92 1.07 0.23 0.00 0.00 176.35 178.89 1whk n THR 22 N 0.50 3.23 0.00 5.49 5.66 -1.25 -3.11 114.28 124.79 1whk n THR 22 Ca 0.01 -2.12 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 1whk n THR 22 Cb 0.42 -0.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1whk n SER 23 N -0.96 0.00 0.05 1.09 7.64 -1.26 -4.91 113.62 115.27 1whk n SER 23 Ca 0.57 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.56 1whk n SER 23 Cb 1.29 0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 64.56 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 -2.25 0.47 -3.02 6.43 7.64 -1.26 -5.01 113.62 116.62 1whk n SER 24 Ca 0.00 0.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 1whk n SER 24 Cb 0.00 1.14 0.07 0.00 -1.01 0.00 0.00 64.21 64.41 1whk n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1whk n ASN 25 N -2.40 -4.31 -3.71 6.43 4.13 -1.18 -5.04 115.26 109.19 1whk n ASN 25 Ca -0.01 -0.57 -0.17 0.00 1.68 0.00 0.00 54.58 55.51 1whk n ASN 25 Cb 0.54 -4.48 -0.16 0.00 -1.54 0.00 0.00 39.78 34.14 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 -4.59 -0.00 0.76 3.52 0.41 -1.26 -4.94 118.70 112.60 1whk s GLU 26 Ca 0.23 0.40 -0.15 0.00 -0.41 0.00 0.00 54.97 55.04 1whk s GLU 26 Cb -0.03 -0.31 0.06 0.00 -1.78 0.00 0.00 34.13 32.06 1whk s GLU 26 CO 0.63 -0.26 1.24 -1.33 -0.49 0.00 0.00 175.26 175.05 1whk n MET 27 N 4.86 0.47 -3.71 1.61 2.81 -1.26 -2.99 117.12 118.91 1whk n MET 27 Ca -0.13 0.23 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 1whk n MET 27 Cb 0.50 -2.47 -0.09 0.00 -0.71 0.00 0.00 33.22 30.44 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 -1.89 -1.19 -0.03 3.04 0.00 0.03 -4.89 121.76 116.83 1whk s ALA 28 Ca 0.76 1.42 -0.22 0.00 0.00 0.00 0.00 51.96 53.92 1whk s ALA 28 Cb -0.32 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1whk s ALA 28 CO 0.47 -0.24 0.66 0.99 0.00 0.00 0.00 175.76 177.65 1whk s THR 29 N 0.46 4.96 -0.22 0.00 2.01 -1.23 -2.03 115.64 119.59 1whk s THR 29 Ca -0.02 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 1whk s THR 29 Cb -0.04 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1whk s THR 29 CO -0.02 0.33 1.00 -0.69 -0.69 0.00 0.00 174.62 174.55 1whk s VAL 30 N 0.32 4.72 -0.17 3.82 1.01 -0.65 -2.07 120.40 127.37 1whk s VAL 30 Ca 0.35 1.95 -0.09 0.00 0.00 0.00 0.00 61.98 64.19 1whk s VAL 30 Cb -0.18 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1whk s VAL 30 CO 0.18 -0.15 -0.22 0.54 0.00 0.00 0.00 175.10 175.45 1whk n ARG 31 N 6.17 0.36 -4.34 2.72 5.12 0.19 -2.90 116.66 123.99 1whk n ARG 31 Ca 0.11 0.16 -0.25 0.00 -1.93 0.00 0.00 57.85 55.93 1whk n ARG 31 Cb 0.46 -1.11 -0.09 0.00 -1.16 0.00 0.00 32.46 30.57 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 -2.32 2.56 -0.17 -1.55 6.14 -1.08 -4.87 117.35 116.06 1whk s TYR 32 Ca -0.24 -0.25 -0.08 0.00 0.64 0.00 0.00 57.07 57.14 1whk s TYR 32 Cb 0.09 -1.19 0.07 0.00 0.42 0.00 0.00 41.96 41.35 1whk s TYR 32 CO 0.30 0.58 0.39 0.08 0.64 0.00 0.00 175.55 177.54 1whk s VAL 33 N -2.04 -0.26 -5.00 3.14 1.01 -1.26 -1.19 120.40 114.80 1whk s VAL 33 Ca 0.27 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1whk s VAL 33 Cb -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1whk s VAL 33 CO 0.16 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1whk n GLY 34 N 4.72 0.88 3.77 4.51 0.00 -0.92 -5.00 105.19 113.16 1whk n GLY 34 Ca -0.17 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.42 2.87 0.45 1.61 0.04 -1.26 -0.60 135.00 136.69 1whk s PRO 35 Ca 0.00 1.39 0.07 0.00 0.04 0.00 0.00 61.00 62.50 1whk s PRO 35 Cb 0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1whk s PRO 35 CO 0.00 -1.19 0.38 0.95 0.04 0.00 0.00 177.00 177.18 1whk s THR 36 N -2.32 2.35 -0.20 1.26 -4.23 -1.03 -4.85 115.64 106.62 1whk s THR 36 Ca 0.67 -1.41 0.16 0.00 -1.18 0.00 0.00 61.69 59.93 1whk s THR 36 Cb -0.20 -2.75 -0.23 0.00 1.34 0.00 0.00 72.50 70.65 1whk s THR 36 CO 0.40 0.00 0.04 -0.67 -0.54 0.00 0.00 174.62 173.85 1whk n ASP 37 N -1.59 0.43 0.10 3.99 2.03 -1.26 -4.40 116.55 115.85 1whk n ASP 37 Ca 0.02 -0.01 -0.05 0.00 0.52 0.00 0.00 54.79 55.27 1whk n ASP 37 Cb 0.63 0.84 0.04 0.00 -0.72 0.00 0.00 41.12 41.91 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 0.13 -2.13 -0.67 -0.00 -1.97 -3.46 116.94 108.84 1whk h PHE 38 Ca -0.52 -0.07 -0.56 0.00 -0.00 0.00 0.00 57.97 56.82 1whk h PHE 38 Cb 2.15 -0.02 -0.13 0.00 -0.00 0.00 0.00 35.95 37.95 1whk h PHE 38 CO 0.00 0.83 -0.60 0.00 -0.00 0.00 0.00 178.31 178.55 1whk s ALA 39 N -3.30 2.87 -0.68 12.09 0.00 -1.26 -5.10 121.76 126.38 1whk s ALA 39 Ca -0.02 -2.07 -0.06 0.00 0.00 0.00 0.00 51.96 49.82 1whk s ALA 39 Cb 0.11 0.39 0.18 0.00 0.00 0.00 0.00 23.12 23.80 1whk s ALA 39 CO 0.80 -0.20 0.53 -1.54 0.00 0.00 0.00 175.76 175.35 1whk s SER 40 N -3.62 5.69 0.00 0.00 1.04 -1.26 -4.34 113.70 111.21 1whk s SER 40 Ca 0.34 -2.77 0.00 0.00 0.48 0.00 0.00 55.95 54.00 1whk s SER 40 Cb 0.09 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1whk s SER 40 CO 0.16 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1whk n GLY 41 N 3.68 0.64 3.80 7.32 0.00 -1.26 -5.06 105.19 114.32 1whk n GLY 41 Ca 0.09 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.96 4.34 0.28 -0.61 -1.09 -1.26 -2.47 121.20 118.43 1whk s ILE 42 Ca 0.00 1.61 0.01 0.00 -2.23 0.00 0.00 60.65 60.04 1whk s ILE 42 Cb 0.00 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1whk s ILE 42 CO 0.00 0.06 0.28 0.26 -1.23 0.00 0.00 174.94 174.30 1whk s TRP 43 N -1.72 1.31 -0.20 3.97 0.52 0.23 -4.54 118.94 118.51 1whk s TRP 43 Ca 0.51 -1.43 -0.04 0.00 0.02 0.00 0.00 56.10 55.16 1whk s TRP 43 Cb -0.16 -0.48 0.07 0.00 -1.15 0.00 0.00 33.47 31.75 1whk s TRP 43 CO 0.21 -0.85 0.09 -0.51 0.02 0.00 0.00 176.95 175.92 1whk s LEU 44 N -3.25 0.52 -0.57 2.99 1.43 -0.01 -2.16 118.68 117.65 1whk s LEU 44 Ca 0.37 -0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 1whk s LEU 44 Cb 0.03 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.85 1whk s LEU 44 CO 0.19 -0.37 2.37 -0.83 0.23 0.00 0.00 176.35 177.95 1whk s GLY 45 N 2.09 -0.48 0.36 -3.19 0.00 -0.33 -3.78 107.32 101.99 1whk s GLY 45 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.50 1whk s GLY 45 CO -0.16 4.11 0.62 1.08 0.00 0.00 0.00 173.10 178.75 1whk s LEU 46 N 12.56 3.93 -0.14 0.66 1.43 -0.53 0.57 118.68 137.17 1whk s LEU 46 Ca 0.94 0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 54.69 1whk s LEU 46 Cb -0.16 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.57 1whk s LEU 46 CO 0.21 -0.33 0.20 -0.70 0.23 0.00 0.00 176.35 175.97 1whk s GLU 47 N -4.10 0.11 0.48 1.70 2.12 -0.88 -2.77 118.70 115.36 1whk s GLU 47 Ca 0.44 0.46 0.01 0.00 0.36 0.00 0.00 54.97 56.24 1whk s GLU 47 Cb -0.10 -0.58 0.01 0.00 0.26 0.00 0.00 34.13 33.72 1whk s GLU 47 CO 0.35 -0.43 0.70 -0.51 -0.54 0.00 0.00 175.26 174.83 1whk s LEU 48 N 2.33 3.53 -0.53 2.70 1.43 -1.19 -3.47 118.68 123.48 1whk s LEU 48 Ca 0.04 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1whk s LEU 48 Cb -0.13 -3.02 0.50 0.00 0.03 0.00 0.00 46.19 43.57 1whk s LEU 48 CO -0.09 -0.85 1.95 -1.14 0.23 0.00 0.00 176.35 176.45 1whk n ARG 49 N -2.15 2.37 -3.78 1.70 0.63 -1.26 -4.71 116.66 109.46 1whk n ARG 49 Ca 0.04 -2.91 0.02 0.00 -0.92 0.00 0.00 57.85 54.08 1whk n ARG 49 Cb 0.58 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1whk n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1whk s SER 50 N -1.34 -0.03 -1.08 6.15 0.15 -1.26 -5.08 113.70 111.22 1whk s SER 50 Ca 0.56 -0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.85 1whk s SER 50 Cb 0.46 0.16 0.11 0.00 -1.71 0.00 0.00 66.02 65.04 1whk s SER 50 CO 0.04 -0.31 1.39 0.00 1.20 0.00 0.00 173.24 175.55 1whk s ALA 51 N -2.23 3.32 -0.16 5.45 0.00 -1.26 -4.29 121.76 122.59 1whk s ALA 51 Ca 0.21 -2.79 0.21 0.00 0.00 0.00 0.00 51.96 49.59 1whk s ALA 51 Cb 0.02 -4.30 0.44 0.00 0.00 0.00 0.00 23.12 19.28 1whk s ALA 51 CO -0.02 -3.16 1.17 1.63 0.00 0.00 0.00 175.76 175.38 1whk n LYS 52 N 7.29 0.99 0.00 0.00 5.02 -0.82 -4.95 118.16 125.70 1whk n LYS 52 Ca 0.33 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 1whk n LYS 52 Cb 0.48 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.30 5.58 1.55 0.72 0.00 -0.88 -4.95 105.19 106.92 1whk n GLY 53 Ca 0.01 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 0.13 -4.15 1.61 5.02 -1.21 -4.69 118.16 114.87 1whk n LYS 54 Ca 0.00 -2.00 -0.14 0.00 -2.02 0.00 0.00 58.31 54.15 1whk n LYS 54 Cb 0.00 -0.06 -0.11 0.00 -0.02 0.00 0.00 35.03 34.84 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 1.29 -0.37 4.39 0.01 -1.17 -4.91 114.94 112.16 1whk s ASN 55 Ca 0.30 -0.79 0.06 0.00 -0.71 0.00 0.00 52.86 51.72 1whk s ASN 55 Cb 0.35 0.03 0.51 0.00 0.41 0.00 0.00 41.25 42.55 1whk s ASN 55 CO -0.15 -0.28 1.57 -0.90 -1.51 0.00 0.00 177.10 175.83 1whk n ASP 56 N 0.64 3.77 0.00 -1.22 5.75 -1.26 -0.07 116.55 124.15 1whk n ASP 56 Ca -0.17 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 50.85 1whk n ASP 56 Cb 0.58 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 -1.04 2.82 3.11 6.12 0.00 -1.26 -4.65 105.19 110.29 1whk n GLY 57 Ca 0.43 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.49 0.73 -0.14 4.61 0.00 -1.25 -1.70 121.76 123.52 1whk s ALA 58 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1whk s ALA 58 Cb 0.00 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1whk s ALA 58 CO 0.00 -0.18 0.01 0.08 0.00 0.00 0.00 175.76 175.67 1whk s VAL 59 N -2.84 0.52 0.00 0.00 1.01 -1.11 -5.01 120.40 112.96 1whk s VAL 59 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1whk s VAL 59 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1whk s VAL 59 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1whk n GLY 60 N 5.07 0.42 1.67 4.51 0.00 -1.26 -3.42 105.19 112.18 1whk n GLY 60 Ca -0.09 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 6.68 3.07 -3.81 1.61 8.00 -1.26 -4.93 116.55 125.91 1whk n ASP 61 Ca 0.00 -3.71 -0.17 0.00 0.71 0.00 0.00 54.79 51.62 1whk n ASP 61 Cb 0.00 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.20 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 0.26 -0.17 -1.24 2.20 -1.22 -5.09 119.74 111.20 1whk s LYS 62 Ca 0.51 0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 56.07 1whk s LYS 62 Cb 0.44 -0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 1whk s LYS 62 CO 0.05 -0.14 0.27 1.03 -0.36 0.00 0.00 175.35 176.19 1whk s ARG 63 N 1.05 4.25 -0.07 4.03 3.00 -1.26 -2.77 118.95 127.18 1whk s ARG 63 Ca -0.09 0.05 0.06 0.00 0.00 0.00 0.00 55.73 55.74 1whk s ARG 63 Cb -0.13 -3.43 -0.08 0.00 0.00 0.00 0.00 34.95 31.30 1whk s ARG 63 CO -0.02 0.24 0.01 0.66 0.00 0.00 0.00 175.30 176.19 1whk n TYR 64 N 3.59 0.00 -3.94 -0.53 4.01 -1.23 -5.00 117.16 114.06 1whk n TYR 64 Ca -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.60 1whk n TYR 64 Cb 0.52 -0.35 0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.17 0.07 -0.09 -0.72 -0.71 -0.69 -3.35 117.98 110.31 1whk s PHE 65 Ca -0.05 -0.38 -0.01 0.00 -1.04 0.00 0.00 56.93 55.45 1whk s PHE 65 Cb 0.02 0.66 0.03 0.00 -1.21 0.00 0.00 43.02 42.52 1whk s PHE 65 CO 0.28 -0.71 -0.02 -0.08 -1.34 0.00 0.00 175.22 173.36 1whk s THR 66 N -2.06 0.56 0.29 -4.49 -1.32 -1.26 -3.97 115.64 103.39 1whk s THR 66 Ca 0.25 -0.05 -0.20 0.00 -1.21 0.00 0.00 61.69 60.48 1whk s THR 66 Cb -0.02 -0.72 0.04 0.00 -1.51 0.00 0.00 72.50 70.29 1whk s THR 66 CO 0.03 0.24 0.80 0.00 -2.21 0.00 0.00 174.62 173.49 1whk s LYS 68 N -3.19 -0.51 0.10 0.00 3.01 -1.26 -4.38 119.74 113.50 1whk s LYS 68 Ca 0.13 0.97 -0.32 0.00 -1.01 0.00 0.00 55.97 55.74 1whk s LYS 68 Cb -0.05 -1.59 -0.11 0.00 -1.01 0.00 0.00 37.83 35.07 1whk s LYS 68 CO 0.08 -3.49 1.84 -2.30 0.51 0.00 0.00 175.35 171.99 1whk n PRO 69 N -4.77 2.70 -3.28 -1.68 -0.02 -1.26 -2.56 135.00 124.14 1whk n PRO 69 Ca 0.05 0.98 -0.15 0.00 -2.02 0.00 0.00 63.50 62.36 1whk n PRO 69 Cb 0.54 -2.87 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 5.79 -2.57 -0.05 2.55 4.13 0.89 -4.84 115.26 121.16 1whk n ASN 70 Ca 0.19 -0.58 -0.11 0.00 1.68 0.00 0.00 54.58 55.76 1whk n ASN 70 Cb 0.36 -4.73 -0.04 0.00 -1.54 0.00 0.00 39.78 33.84 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 -3.75 0.00 -2.70 3.10 4.02 -1.06 -1.95 117.16 114.82 1whk n TYR 71 Ca -0.24 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.44 1whk n TYR 71 Cb 0.65 -0.38 0.05 0.00 -0.02 0.00 0.00 39.34 39.64 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 -5.18 1.83 0.11 2.72 0.00 -1.26 -3.19 107.32 102.36 1whk s GLY 72 Ca -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1whk s GLY 72 CO 0.19 -1.16 0.11 -1.34 0.00 0.00 0.00 173.10 170.90 1whk s VAL 73 N -2.76 0.13 -0.19 1.40 -7.23 -1.12 -3.02 120.40 107.62 1whk s VAL 73 Ca 0.59 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1whk s VAL 73 Cb -0.09 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.13 1whk s VAL 73 CO 0.39 -0.59 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.66 1whk s LEU 74 N -2.96 2.30 0.15 1.32 1.43 -1.26 -1.45 118.68 118.21 1whk s LEU 74 Ca 0.15 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1whk s LEU 74 Cb 0.06 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1whk s LEU 74 CO -0.04 -0.01 0.06 0.68 0.23 0.00 0.00 176.35 177.28 1whk s VAL 75 N 1.32 0.17 0.12 -1.59 -7.23 -1.25 -4.94 120.40 107.01 1whk s VAL 75 Ca 0.05 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1whk s VAL 75 Cb -0.13 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1whk s VAL 75 CO -0.11 -0.38 0.28 -0.13 -0.31 0.00 0.00 175.10 174.46 1whk s ARG 76 N -4.05 3.47 0.16 4.82 0.52 -1.26 -0.83 118.95 121.79 1whk s ARG 76 Ca 0.27 -0.44 -0.27 0.00 -0.52 0.00 0.00 55.73 54.78 1whk s ARG 76 Cb 0.07 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.59 1whk s ARG 76 CO 0.04 0.53 1.57 -1.35 0.02 0.00 0.00 175.30 176.11 1whk h PRO 77 N 2.56 -0.27 -0.12 3.54 0.11 -1.88 1.31 132.00 137.25 1whk h PRO 77 Ca -0.47 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.70 1whk h PRO 77 Cb 1.18 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1whk h PRO 77 CO 0.72 -0.18 0.20 1.03 -0.21 0.00 0.00 178.00 179.56 1whk h SER 78 N -0.28 0.00 0.76 -2.05 0.87 -1.98 0.96 113.55 111.83 1whk h SER 78 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 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 -0.64 0.00 -0.42 0.54 -0.53 0.00 0.00 176.83 175.79 1whk n ARG 79 N -3.48 0.10 -4.59 2.24 5.12 0.42 -4.90 116.66 111.57 1whk n ARG 79 Ca 0.00 0.04 -0.27 0.00 -1.93 0.00 0.00 57.85 55.69 1whk n ARG 79 Cb 0.30 -1.57 -0.11 0.00 -1.16 0.00 0.00 32.46 29.92 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 -3.06 1.80 0.18 1.55 -7.23 0.33 -3.96 120.40 110.02 1whk s VAL 80 Ca 0.10 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1whk s VAL 80 Cb 0.16 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1whk s VAL 80 CO 0.67 0.00 0.24 0.42 -0.31 0.00 0.00 175.10 176.12 1whk s THR 81 N -2.84 0.05 -0.26 5.32 -4.23 -0.98 -4.84 115.64 107.86 1whk s THR 81 Ca 0.34 -1.64 -0.26 0.00 -1.18 0.00 0.00 61.69 58.95 1whk s THR 81 Cb 0.09 -2.10 0.14 0.00 1.34 0.00 0.00 72.50 71.98 1whk s THR 81 CO 0.17 -0.21 1.14 -0.72 -0.54 0.00 0.00 174.62 174.46 1whk s TYR 82 N -4.04 -0.33 1.28 3.99 1.13 -1.26 0.49 117.35 118.61 1whk s TYR 82 Ca 0.25 0.76 -0.20 0.00 -1.41 0.00 0.00 57.07 56.47 1whk s TYR 82 Cb 0.04 0.41 0.32 0.00 -1.10 0.00 0.00 41.96 41.63 1whk s TYR 82 CO 0.05 -0.19 1.03 1.03 -2.51 0.00 0.00 175.55 174.95 1whk s ARG 83 N -0.14 -1.85 0.00 -3.49 0.52 -1.26 -4.99 118.95 107.75 1whk s ARG 83 Ca 0.04 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1whk s ARG 83 Cb -0.04 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1whk s ARG 83 CO -0.07 -4.16 0.00 0.41 0.02 0.00 0.00 175.30 171.50 1whk n GLY 84 N 0.16 0.01 3.46 -3.53 0.00 -1.26 -5.10 105.19 98.94 1whk n GLY 84 Ca 0.12 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1whk n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whk n ILE 85 N -1.66 0.00 -0.02 -0.61 -5.35 -1.26 -5.02 119.36 105.44 1whk n ILE 85 Ca 0.00 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.16 1whk n ILE 85 Cb 0.00 -0.87 -0.01 0.00 -1.74 0.00 0.00 39.64 37.03 1whk n ILE 85 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1whk n SER 86 N -3.67 0.68 -0.31 7.28 3.41 -1.26 -5.13 113.62 114.61 1whk n SER 86 Ca 0.05 0.11 0.04 0.00 -0.26 0.00 0.00 58.87 58.81 1whk n SER 86 Cb 0.55 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1whk n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whk n GLY 87 N 2.06 -1.61 3.65 5.00 0.00 -1.26 -4.83 105.19 108.21 1whk n GLY 87 Ca -0.04 -1.44 -0.50 0.00 0.00 0.00 0.00 46.02 44.04 1whk n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whk n PRO 88 N -2.06 1.71 0.11 1.61 -0.02 -1.26 -4.87 135.00 130.22 1whk n PRO 88 Ca -0.00 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1whk n PRO 88 Cb 0.14 -2.35 0.21 0.00 -0.02 0.00 0.00 33.50 31.48 1whk n PRO 88 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1whk h SER 89 N 6.33 0.19 -4.03 2.55 4.64 -2.06 -3.43 113.55 117.74 1whk h SER 89 Ca -0.47 -0.09 -0.49 0.00 -0.47 0.00 0.00 61.79 60.28 1whk h SER 89 Cb 1.29 -0.05 0.04 0.00 -0.31 0.00 0.00 62.40 63.37 1whk h SER 89 CO 0.88 0.65 0.43 -0.44 -0.87 0.00 0.00 176.83 177.47 1whk s SER 90 N -6.88 6.28 0.00 4.97 0.01 -1.26 -5.29 113.70 111.53 1whk s SER 90 Ca -0.04 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1whk s SER 90 Cb 0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1whk s SER 90 CO 0.77 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.20