#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 -0.69 -0.24 1.61 0.01 -1.26 -5.15 113.70 107.99 1whk s SER 2 Ca 0.00 1.16 -0.09 0.00 1.31 0.00 0.00 55.95 58.33 1whk s SER 2 Cb 0.00 1.11 -0.04 0.00 0.21 0.00 0.00 66.02 67.30 1whk s SER 2 CO 0.00 -0.21 0.12 -0.44 0.41 0.00 0.00 173.24 173.12 1whk s SER 3 N 1.64 5.72 -0.26 2.44 0.01 -1.26 -4.98 113.70 117.01 1whk s SER 3 Ca -0.09 -0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.06 1whk s SER 3 Cb -0.08 -2.03 -0.15 0.00 0.21 0.00 0.00 66.02 63.98 1whk s SER 3 CO -0.16 0.03 -0.24 0.61 0.41 0.00 0.00 173.24 173.89 1whk n GLY 4 N 4.50 -0.46 3.30 3.44 0.00 -1.26 -4.88 105.19 109.83 1whk n GLY 4 Ca -0.15 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -7.14 5.24 -0.24 1.61 0.01 -1.26 -5.05 113.70 106.87 1whk s SER 5 Ca -0.36 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 55.90 1whk s SER 5 Cb 0.12 -1.88 0.10 0.00 0.21 0.00 0.00 66.02 64.57 1whk s SER 5 CO 0.54 -0.27 0.18 -0.55 0.41 0.00 0.00 173.24 173.55 1whk s SER 6 N 1.44 2.31 0.00 2.44 0.15 -1.26 -4.92 113.70 113.86 1whk s SER 6 Ca 0.00 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1whk s SER 6 Cb -0.19 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1whk s SER 6 CO 0.03 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1whk n GLY 7 N 5.29 2.72 2.54 9.45 0.00 -1.26 -5.05 105.19 118.88 1whk n GLY 7 Ca -0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1whk n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1whk n GLU 8 N 0.00 -4.59 0.00 1.61 2.13 -1.26 -5.03 120.64 113.50 1whk n GLU 8 Ca 0.00 3.45 0.00 0.00 0.66 0.00 0.00 57.16 61.27 1whk n GLU 8 Cb 0.00 -4.96 0.00 0.00 0.27 0.00 0.00 31.44 26.75 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whk n GLY 9 N 1.68 -0.34 1.48 8.31 0.00 -1.26 -5.17 105.19 109.89 1whk n GLY 9 Ca -0.39 0.42 0.19 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 -0.20 -3.75 2.61 -1.04 -1.26 -5.01 114.28 105.64 1whk n THR 10 Ca 0.00 0.60 -0.13 0.00 -2.04 0.00 0.00 64.05 62.47 1whk n THR 10 Cb 0.00 -1.10 -0.09 0.00 -1.82 0.00 0.00 70.33 67.32 1whk n THR 10 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1whk s VAL 11 N -3.51 0.05 -0.42 12.58 1.01 -1.26 -5.05 120.40 123.80 1whk s VAL 11 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1whk s VAL 11 Cb 0.00 -0.62 0.58 0.00 0.00 0.00 0.00 36.38 36.34 1whk s VAL 11 CO 0.00 -0.21 1.76 0.29 0.00 0.00 0.00 175.10 176.94 1whk n LYS 12 N 1.48 2.23 -4.38 2.72 4.01 -1.26 -4.97 118.16 117.99 1whk n LYS 12 Ca -0.20 -3.16 -0.22 0.00 -0.51 0.00 0.00 58.31 54.22 1whk n LYS 12 Cb 0.56 -2.09 -0.08 0.00 -0.51 0.00 0.00 35.03 32.92 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 -3.37 1.86 0.29 -0.35 1.43 -1.26 -4.71 118.68 112.56 1whk s LEU 13 Ca 0.54 -1.76 -0.21 0.00 -1.03 0.00 0.00 54.13 51.68 1whk s LEU 13 Cb 0.46 0.31 0.02 0.00 0.03 0.00 0.00 46.19 47.01 1whk s LEU 13 CO 0.05 -1.04 0.73 -1.00 0.23 0.00 0.00 176.35 175.33 1whk s HIS 14 N -3.32 -0.16 -0.04 0.29 3.76 -1.26 -5.11 115.29 109.45 1whk s HIS 14 Ca 0.33 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.62 1whk s HIS 14 Cb 0.02 0.72 -0.03 0.00 1.11 0.00 0.00 32.58 34.40 1whk s HIS 14 CO 0.23 -1.27 1.17 -1.21 -0.85 0.00 0.00 174.74 172.81 1whk s GLU 15 N -3.76 4.38 0.00 1.40 2.02 -1.26 -3.62 118.70 117.86 1whk s GLU 15 Ca 0.11 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.76 1whk s GLU 15 Cb -0.06 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1whk s GLU 15 CO 0.07 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.38 1whk n GLY 16 N 3.30 1.37 3.97 -1.39 0.00 -0.52 -5.05 105.19 106.86 1whk n GLY 16 Ca 0.10 -0.18 -0.22 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 -2.23 4.91 -0.15 1.61 0.01 -1.24 -4.91 113.70 111.72 1whk s SER 17 Ca 0.00 -1.00 -0.00 0.00 1.31 0.00 0.00 55.95 56.26 1whk s SER 17 Cb 0.00 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.53 1whk s SER 17 CO 0.00 -1.18 -0.09 -1.10 0.41 0.00 0.00 173.24 171.28 1whk s GLN 18 N -4.46 1.73 0.17 12.44 -1.52 -1.26 -2.57 119.66 124.19 1whk s GLN 18 Ca 0.49 -0.46 0.08 0.00 -1.95 0.00 0.00 55.36 53.52 1whk s GLN 18 Cb -0.04 -1.92 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 1whk s GLN 18 CO 0.31 -0.32 -0.17 0.14 -0.25 0.00 0.00 175.29 174.99 1whk s VAL 19 N 1.60 1.81 0.13 1.09 -7.23 -0.51 -4.84 120.40 112.45 1whk s VAL 19 Ca 0.03 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.31 1whk s VAL 19 Cb -0.14 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1whk s VAL 19 CO -0.09 -0.37 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.92 1whk s LEU 20 N -2.81 2.64 -0.15 1.32 2.96 -0.90 -0.44 118.68 121.30 1whk s LEU 20 Ca 0.17 -0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 1whk s LEU 20 Cb -0.05 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1whk s LEU 20 CO 0.07 0.17 0.44 -0.76 -1.32 0.00 0.00 176.35 174.95 1whk s LEU 21 N -2.19 4.23 -1.19 -0.68 1.43 -0.93 0.84 118.68 120.20 1whk s LEU 21 Ca 0.18 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 53.91 1whk s LEU 21 Cb -0.10 -2.61 0.06 0.00 0.03 0.00 0.00 46.19 43.57 1whk s LEU 21 CO 0.10 -0.02 2.59 0.35 0.23 0.00 0.00 176.35 179.59 1whk n THR 22 N 3.88 4.73 0.15 5.49 -2.24 -1.25 -2.58 114.28 122.46 1whk n THR 22 Ca -0.08 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 57.96 1whk n THR 22 Cb 0.51 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 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 1.91 -2.78 0.01 3.42 7.64 -1.26 -4.95 113.62 117.62 1whk n SER 23 Ca 0.62 0.68 0.11 0.00 1.01 0.00 0.00 58.87 61.29 1whk n SER 23 Cb 0.32 2.73 -0.08 0.00 -1.01 0.00 0.00 64.21 66.16 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 -3.19 0.57 -2.55 6.43 7.64 -1.26 -5.04 113.62 116.23 1whk n SER 24 Ca 0.00 -0.41 -0.04 0.00 1.01 0.00 0.00 58.87 59.42 1whk n SER 24 Cb 0.00 1.20 0.01 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 -1.89 -6.39 -3.68 6.43 4.13 -1.07 -5.06 115.26 107.73 1whk n ASN 25 Ca 0.01 0.27 -0.11 0.00 1.68 0.00 0.00 54.58 56.44 1whk n ASN 25 Cb 0.44 -4.25 -0.09 0.00 -1.54 0.00 0.00 39.78 34.34 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 -2.42 0.56 0.43 3.52 0.41 -1.26 -4.95 118.70 115.00 1whk s GLU 26 Ca 0.13 0.89 -0.20 0.00 -0.41 0.00 0.00 54.97 55.38 1whk s GLU 26 Cb -0.04 0.14 -0.11 0.00 -1.78 0.00 0.00 34.13 32.35 1whk s GLU 26 CO 0.57 -0.13 0.94 -1.64 -0.49 0.00 0.00 175.26 174.51 1whk s MET 27 N 1.05 4.18 -0.05 1.61 -1.94 -1.26 -2.18 119.30 120.71 1whk s MET 27 Ca -0.06 1.07 -0.18 0.00 -1.71 0.00 0.00 55.69 54.81 1whk s MET 27 Cb -0.06 -2.19 0.04 0.00 2.01 0.00 0.00 34.83 34.62 1whk s MET 27 CO -0.10 -0.04 0.40 0.00 -0.01 0.00 0.00 175.02 175.28 1whk s ALA 28 N -2.21 -1.02 0.01 3.03 0.00 0.42 -4.97 121.76 117.01 1whk s ALA 28 Ca 0.61 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1whk s ALA 28 Cb -0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 1whk s ALA 28 CO 0.15 -0.27 0.45 0.99 0.00 0.00 0.00 175.76 177.09 1whk s THR 29 N -1.00 4.97 -0.09 0.00 2.01 -1.22 -1.42 115.64 118.89 1whk s THR 29 Ca -0.10 0.95 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 1whk s THR 29 Cb -0.04 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1whk s THR 29 CO 0.05 0.55 0.74 -0.69 -0.69 0.00 0.00 174.62 174.57 1whk s VAL 30 N -0.93 5.00 -0.16 3.82 1.01 -1.06 -0.74 120.40 127.33 1whk s VAL 30 Ca 0.25 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.75 1whk s VAL 30 Cb -0.17 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1whk s VAL 30 CO 0.15 0.19 -0.13 0.54 0.00 0.00 0.00 175.10 175.84 1whk n ARG 31 N 4.18 0.54 -4.13 2.72 5.12 -0.57 -1.44 116.66 123.07 1whk n ARG 31 Ca 0.00 0.09 -0.16 0.00 -1.93 0.00 0.00 57.85 55.85 1whk n ARG 31 Cb 0.51 -1.33 -0.12 0.00 -1.16 0.00 0.00 32.46 30.36 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 -2.33 0.98 -0.14 -1.55 5.04 -1.22 -4.82 117.35 113.32 1whk s TYR 32 Ca -0.21 -0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 53.89 1whk s TYR 32 Cb 0.06 -0.56 0.07 0.00 0.35 0.00 0.00 41.96 41.87 1whk s TYR 32 CO 0.39 -0.00 0.20 0.08 -1.34 0.00 0.00 175.55 174.88 1whk s VAL 33 N -1.40 -0.31 0.00 3.14 1.01 -1.26 -1.31 120.40 120.27 1whk s VAL 33 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1whk s VAL 33 Cb -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1whk s VAL 33 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1whk n GLY 34 N 5.33 1.51 3.32 4.51 0.00 -1.17 -5.06 105.19 113.63 1whk n GLY 34 Ca -0.05 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.00 -1.17 -4.64 1.61 -0.02 -1.26 -3.31 135.00 125.21 1whk n PRO 35 Ca 0.00 -0.32 -0.29 0.00 -2.02 0.00 0.00 63.50 60.87 1whk n PRO 35 Cb 0.00 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 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 1.15 -0.22 3.45 -4.23 -1.26 -4.83 115.64 107.41 1whk s THR 36 Ca 0.56 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1whk s THR 36 Cb -0.15 -2.42 -0.14 0.00 1.34 0.00 0.00 72.50 71.13 1whk s THR 36 CO 0.67 0.00 -0.20 -0.67 -0.54 0.00 0.00 174.62 173.88 1whk n ASP 37 N -1.16 2.28 -0.08 3.99 2.03 -1.26 -4.59 116.55 117.75 1whk n ASP 37 Ca -0.11 -0.09 -0.13 0.00 0.52 0.00 0.00 54.79 54.98 1whk n ASP 37 Cb 0.66 -0.36 -0.05 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.06 0.66 -1.02 -0.67 -0.00 -1.98 -3.46 116.94 110.41 1whk h PHE 38 Ca -0.49 -0.19 -0.65 0.00 -0.00 0.00 0.00 57.97 56.64 1whk h PHE 38 Cb 1.73 -0.14 -0.13 0.00 -0.00 0.00 0.00 35.95 37.41 1whk h PHE 38 CO 0.02 0.87 -0.56 0.00 -0.00 0.00 0.00 178.31 178.65 1whk s ALA 39 N -4.40 3.64 0.49 12.09 0.00 -1.26 -5.16 121.76 127.17 1whk s ALA 39 Ca -0.13 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1whk s ALA 39 Cb 0.07 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1whk s ALA 39 CO 0.79 -0.07 0.48 0.45 0.00 0.00 0.00 175.76 177.41 1whk s SER 40 N -3.80 4.95 0.03 0.00 0.15 -1.26 -4.11 113.70 109.66 1whk s SER 40 Ca 0.21 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1whk s SER 40 Cb 0.06 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1whk s SER 40 CO 0.11 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1whk n GLY 41 N -1.78 0.64 2.83 9.45 0.00 -1.26 -4.85 105.19 110.22 1whk n GLY 41 Ca 0.05 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 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 0.39 0.42 -0.61 1.09 -1.26 -4.28 121.20 116.95 1whk s ILE 42 Ca 0.00 0.01 0.05 0.00 -1.10 0.00 0.00 60.65 59.61 1whk s ILE 42 Cb 0.00 -0.48 -0.06 0.00 -1.06 0.00 0.00 42.46 40.86 1whk s ILE 42 CO 0.00 0.22 0.02 0.26 -0.10 0.00 0.00 174.94 175.34 1whk s TRP 43 N 1.28 2.22 -0.05 3.97 0.52 -1.21 -4.40 118.94 121.28 1whk s TRP 43 Ca -0.06 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.25 1whk s TRP 43 Cb -0.13 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.59 1whk s TRP 43 CO -0.02 0.27 -0.06 -0.51 0.02 0.00 0.00 176.95 176.66 1whk s LEU 44 N -3.70 1.38 -1.30 2.99 1.43 0.12 -3.05 118.68 116.55 1whk s LEU 44 Ca 0.28 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1whk s LEU 44 Cb 0.07 -0.50 0.10 0.00 0.03 0.00 0.00 46.19 45.90 1whk s LEU 44 CO 0.14 -0.04 1.75 0.61 0.23 0.00 0.00 176.35 179.04 1whk n GLY 45 N 4.00 3.35 3.74 -3.19 0.00 -0.43 -3.09 105.19 109.57 1whk n GLY 45 Ca -0.25 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 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 2.67 2.97 -0.08 0.99 1.43 -0.93 -1.51 118.68 124.22 1whk s LEU 46 Ca 0.48 1.96 -0.03 0.00 -1.03 0.00 0.00 54.13 55.51 1whk s LEU 46 Cb 0.04 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.77 1whk s LEU 46 CO 0.02 -2.40 0.14 -0.70 0.23 0.00 0.00 176.35 173.64 1whk s GLU 47 N -4.80 0.02 0.40 1.70 2.12 0.08 -3.31 118.70 114.90 1whk s GLU 47 Ca 0.63 0.53 0.08 0.00 0.36 0.00 0.00 54.97 56.57 1whk s GLU 47 Cb -0.19 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 33.90 1whk s GLU 47 CO 0.56 -0.31 0.54 -0.51 -0.54 0.00 0.00 175.26 175.00 1whk s LEU 48 N 2.25 3.70 -0.38 2.70 1.43 -1.20 -3.41 118.68 123.77 1whk s LEU 48 Ca 0.03 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1whk s LEU 48 Cb -0.12 -2.64 0.55 0.00 0.03 0.00 0.00 46.19 44.01 1whk s LEU 48 CO -0.05 -0.69 1.65 0.54 0.23 0.00 0.00 176.35 178.03 1whk n ARG 49 N -1.79 2.16 -3.46 1.70 1.74 -1.26 -4.75 116.66 110.99 1whk n ARG 49 Ca 0.06 -3.21 -0.12 0.00 -0.77 0.00 0.00 57.85 53.81 1whk n ARG 49 Cb 0.59 -2.01 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1whk n ARG 49 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1whk s SER 50 N -2.14 -0.52 -1.35 0.55 1.04 -1.26 -5.07 113.70 104.94 1whk s SER 50 Ca 0.51 0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 1whk s SER 50 Cb 0.44 0.52 0.09 0.00 0.10 0.00 0.00 66.02 67.17 1whk s SER 50 CO 0.03 -0.80 1.92 0.00 0.98 0.00 0.00 173.24 175.37 1whk n ALA 51 N -0.10 4.67 -2.49 5.32 0.00 -1.26 -4.29 120.51 122.35 1whk n ALA 51 Ca -0.15 -3.99 0.03 0.00 0.00 0.00 0.00 53.44 49.33 1whk n ALA 51 Cb 0.63 -3.41 0.02 0.00 0.00 0.00 0.00 19.45 16.68 1whk n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whk n LYS 52 N 6.40 0.18 0.00 0.00 5.02 -0.60 -4.92 118.16 124.24 1whk n LYS 52 Ca 0.47 -2.05 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 1whk n LYS 52 Cb 0.41 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 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 0.33 2.57 2.00 0.72 0.00 -0.30 -4.96 105.19 105.53 1whk n GLY 53 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.96 1.61 5.02 -1.12 -4.84 118.16 116.88 1whk n LYS 54 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1whk n LYS 54 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 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 -4.40 4.38 -0.13 4.39 0.01 -1.07 -4.43 114.94 113.68 1whk s ASN 55 Ca 0.00 0.66 0.09 0.00 -0.71 0.00 0.00 52.86 52.90 1whk s ASN 55 Cb 0.00 -1.12 -0.14 0.00 0.41 0.00 0.00 41.25 40.40 1whk s ASN 55 CO 0.00 -1.96 0.00 -0.90 -1.51 0.00 0.00 177.10 172.73 1whk n ASP 56 N -3.31 2.10 0.00 -1.22 5.68 -1.26 -0.81 116.55 117.73 1whk n ASP 56 Ca 0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1whk n ASP 56 Cb 0.61 0.59 0.00 0.00 -1.14 0.00 0.00 41.12 41.17 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 2.34 0.38 3.10 6.12 0.00 -1.26 -3.87 105.19 111.99 1whk n GLY 57 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.55 -0.08 4.61 0.00 -1.26 -2.18 121.76 123.40 1whk s ALA 58 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1whk s ALA 58 Cb 0.00 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1whk s ALA 58 CO 0.00 -0.38 0.05 0.08 0.00 0.00 0.00 175.76 175.51 1whk s VAL 59 N -3.92 0.04 0.00 0.00 1.01 0.10 -4.97 120.40 112.66 1whk s VAL 59 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1whk s VAL 59 Cb 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1whk s VAL 59 CO -0.09 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1whk n GLY 60 N 5.25 1.49 1.84 4.51 0.00 -1.26 -3.14 105.19 113.88 1whk n GLY 60 Ca -0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 7.41 3.27 -3.55 1.61 2.03 -1.26 -4.94 116.55 121.11 1whk n ASP 61 Ca 0.00 -3.68 -0.17 0.00 0.52 0.00 0.00 54.79 51.46 1whk n ASP 61 Cb 0.00 -0.77 -0.06 0.00 -0.72 0.00 0.00 41.12 39.57 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 -3.29 1.00 0.14 -0.67 2.20 -1.19 -5.17 119.74 112.76 1whk s LYS 62 Ca 0.52 0.35 0.10 0.00 -0.36 0.00 0.00 55.97 56.58 1whk s LYS 62 Cb 0.45 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 37.20 1whk s LYS 62 CO 0.07 -0.28 -0.22 -0.98 -0.36 0.00 0.00 175.35 173.58 1whk s ARG 63 N -0.95 1.62 -0.01 4.03 1.70 -1.26 -0.73 118.95 123.36 1whk s ARG 63 Ca -0.09 -1.30 0.06 0.00 -0.47 0.00 0.00 55.73 53.93 1whk s ARG 63 Cb -0.01 -2.00 -0.10 0.00 -0.57 0.00 0.00 34.95 32.27 1whk s ARG 63 CO 0.08 0.45 0.14 0.66 -1.08 0.00 0.00 175.30 175.56 1whk n TYR 64 N 0.71 0.00 -3.83 5.89 4.01 -1.14 -4.96 117.16 117.84 1whk n TYR 64 Ca -0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.51 1whk n TYR 64 Cb 0.53 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.42 -0.04 -0.18 -0.72 -0.71 -0.93 -3.89 117.98 109.10 1whk s PHE 65 Ca -0.02 -0.52 -0.02 0.00 -1.04 0.00 0.00 56.93 55.33 1whk s PHE 65 Cb 0.04 0.77 0.05 0.00 -1.21 0.00 0.00 43.02 42.67 1whk s PHE 65 CO 0.27 -1.38 0.00 0.99 -1.34 0.00 0.00 175.22 173.76 1whk s THR 66 N -3.10 0.76 0.19 -4.49 2.01 -1.26 -4.29 115.64 105.47 1whk s THR 66 Ca 0.13 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1whk s THR 66 Cb -0.05 -1.13 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1whk s THR 66 CO 0.09 -0.07 0.37 0.00 -0.69 0.00 0.00 174.62 174.33 1whk s LYS 68 N -2.07 0.94 0.09 0.00 1.02 -1.26 -4.64 119.74 113.82 1whk s LYS 68 Ca 0.08 0.63 -0.31 0.00 0.02 0.00 0.00 55.97 56.40 1whk s LYS 68 Cb -0.02 -1.79 -0.08 0.00 -0.52 0.00 0.00 37.83 35.42 1whk s LYS 68 CO 0.06 -2.41 1.54 -1.25 -0.92 0.00 0.00 175.35 172.37 1whk s PRO 69 N -4.99 4.24 -1.01 -1.68 0.04 -1.26 -2.92 135.00 127.43 1whk s PRO 69 Ca 0.64 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 63.88 1whk s PRO 69 Cb -0.18 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1whk s PRO 69 CO 0.57 -0.61 0.86 0.09 0.04 0.00 0.00 177.00 177.95 1whk n ASN 70 N 4.78 -3.67 -0.02 6.66 3.02 0.01 -4.83 115.26 121.20 1whk n ASN 70 Ca 0.14 -0.46 -0.04 0.00 -0.03 0.00 0.00 54.58 54.19 1whk n ASN 70 Cb 0.41 -4.12 -0.02 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.95 0.00 -2.96 3.10 4.02 -1.10 -1.15 117.16 115.11 1whk n TYR 71 Ca -0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.58 1whk n TYR 71 Cb 0.59 -0.17 0.06 0.00 -0.02 0.00 0.00 39.34 39.80 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 -4.78 1.77 0.24 2.72 0.00 -1.25 -3.26 107.32 102.76 1whk s GLY 72 Ca -0.06 -1.99 -0.12 0.00 0.00 0.00 0.00 44.72 42.55 1whk s GLY 72 CO 0.09 -1.56 0.44 -1.34 0.00 0.00 0.00 173.10 170.73 1whk s VAL 73 N -2.68 0.00 -0.21 1.40 -7.23 -1.21 -2.61 120.40 107.85 1whk s VAL 73 Ca 0.61 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 1whk s VAL 73 Cb -0.06 -2.20 0.05 0.00 0.56 0.00 0.00 36.38 34.72 1whk s VAL 73 CO 0.39 -0.01 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.29 1whk s LEU 74 N -3.03 2.56 0.13 1.32 1.43 -1.26 -2.19 118.68 117.65 1whk s LEU 74 Ca 0.23 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1whk s LEU 74 Cb 0.00 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1whk s LEU 74 CO 0.09 -0.15 -0.02 0.68 0.23 0.00 0.00 176.35 177.18 1whk s VAL 75 N 1.31 0.60 0.11 -1.59 -7.23 -1.18 -4.91 120.40 107.53 1whk s VAL 75 Ca -0.03 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1whk s VAL 75 Cb -0.17 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1whk s VAL 75 CO -0.08 -0.66 0.26 -0.13 -0.31 0.00 0.00 175.10 174.18 1whk s ARG 76 N -3.90 3.45 0.15 4.82 3.00 -1.26 0.11 118.95 125.33 1whk s ARG 76 Ca 0.18 -0.49 -0.29 0.00 0.00 0.00 0.00 55.73 55.14 1whk s ARG 76 Cb 0.06 -2.98 -0.03 0.00 0.00 0.00 0.00 34.95 32.00 1whk s ARG 76 CO -0.01 0.55 1.56 -1.35 0.00 0.00 0.00 175.30 176.05 1whk h PRO 77 N 2.57 -0.28 -0.13 3.54 0.11 -1.89 1.37 132.00 137.29 1whk h PRO 77 Ca -0.47 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1whk h PRO 77 Cb 1.18 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1whk h PRO 77 CO 0.72 -0.18 0.22 0.77 -0.21 0.00 0.00 178.00 179.31 1whk h SER 78 N -0.29 0.00 1.01 -2.05 0.02 -1.95 1.02 113.55 111.31 1whk h SER 78 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1whk h SER 78 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1whk h SER 78 CO -0.66 0.00 -0.36 0.54 -1.14 0.00 0.00 176.83 175.21 1whk n ARG 79 N -3.48 0.22 -4.61 3.45 5.12 0.44 -4.89 116.66 112.91 1whk n ARG 79 Ca 0.01 0.11 -0.28 0.00 -1.93 0.00 0.00 57.85 55.76 1whk n ARG 79 Cb 0.32 -1.68 -0.11 0.00 -1.16 0.00 0.00 32.46 29.83 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 -3.11 2.01 -0.24 1.55 -7.23 0.35 -3.80 120.40 109.93 1whk s VAL 80 Ca 0.09 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 1whk s VAL 80 Cb 0.14 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1whk s VAL 80 CO 0.66 -0.03 0.11 -0.89 -0.31 0.00 0.00 175.10 174.64 1whk s THR 81 N -2.72 4.83 0.02 5.32 2.01 0.25 -4.84 115.64 120.51 1whk s THR 81 Ca 0.35 -0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1whk s THR 81 Cb 0.09 -3.24 0.10 0.00 0.01 0.00 0.00 72.50 69.45 1whk s THR 81 CO 0.18 0.35 0.95 -0.47 -0.69 0.00 0.00 174.62 174.94 1whk s TYR 82 N 1.21 -0.26 0.00 4.92 5.04 -1.26 -2.12 117.35 124.87 1whk s TYR 82 Ca 0.06 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 1whk s TYR 82 Cb -0.14 0.56 0.00 0.00 0.35 0.00 0.00 41.96 42.73 1whk s TYR 82 CO 0.05 -0.58 0.00 -2.13 -1.34 0.00 0.00 175.55 171.55 1whk n ARG 83 N -0.30 0.05 0.00 4.97 0.63 -1.26 -4.94 116.66 115.82 1whk n ARG 83 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1whk n ARG 83 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whk n GLY 84 N 4.96 0.95 3.18 5.14 0.00 -1.26 -4.94 105.19 113.22 1whk n GLY 84 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.24 -3.98 -0.61 -5.35 -1.26 -4.98 119.36 107.42 1whk n ILE 85 Ca 0.00 -5.41 -0.31 0.00 -0.27 0.00 0.00 62.75 56.76 1whk n ILE 85 Cb 0.00 -2.42 -0.15 0.00 -1.74 0.00 0.00 39.64 35.32 1whk n ILE 85 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1whk s SER 86 N 0.21 4.15 0.00 7.28 0.01 -1.26 -5.10 113.70 118.99 1whk s SER 86 Ca 0.31 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1whk s SER 86 Cb -0.06 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1whk s SER 86 CO -0.06 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1whk n GLY 87 N 4.56 -0.24 3.65 3.44 0.00 -1.26 -5.00 105.19 110.34 1whk n GLY 87 Ca -0.10 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.45 -0.49 1.61 0.04 -1.26 -4.94 135.00 130.41 1whk s PRO 88 Ca 0.00 0.72 0.02 0.00 0.04 0.00 0.00 61.00 61.78 1whk s PRO 88 Cb 0.00 -1.72 0.55 0.00 0.04 0.00 0.00 34.50 33.37 1whk s PRO 88 CO 0.00 -2.77 1.92 0.45 0.04 0.00 0.00 177.00 176.64 1whk n SER 89 N -4.23 4.98 -4.45 6.66 2.88 -1.26 -4.91 113.62 113.29 1whk n SER 89 Ca 0.06 -3.56 -0.35 0.00 -1.33 0.00 0.00 58.87 53.69 1whk n SER 89 Cb 0.56 -0.87 -0.13 0.00 -0.75 0.00 0.00 64.21 63.02 1whk n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whk s SER 90 N -1.28 4.78 0.00 -3.46 0.01 -1.26 -5.34 113.70 107.15 1whk s SER 90 Ca 0.55 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1whk s SER 90 Cb 0.46 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1whk s SER 90 CO 0.07 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.41