#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb n SER 2 N 0.00 2.02 -2.38 1.61 7.64 -1.26 -5.07 113.62 116.18 1whb n SER 2 Ca 0.00 -3.12 -0.01 0.00 1.01 0.00 0.00 58.87 56.76 1whb n SER 2 Cb 0.00 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1whb n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whb n SER 3 N -0.52 -8.35 0.00 6.43 3.41 -1.26 -5.02 113.62 108.31 1whb n SER 3 Ca 0.18 1.80 0.00 0.00 -0.26 0.00 0.00 58.87 60.59 1whb n SER 3 Cb 0.88 -5.12 0.00 0.00 -0.26 0.00 0.00 64.21 59.71 1whb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 4 N 1.86 0.10 2.20 5.00 0.00 -1.26 -4.95 105.19 108.14 1whb n GLY 4 Ca -0.05 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1whb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whb n SER 5 N -1.41 6.21 -4.44 1.61 7.64 -1.26 -4.90 113.62 117.08 1whb n SER 5 Ca 0.00 -3.58 -0.41 0.00 1.01 0.00 0.00 58.87 55.88 1whb n SER 5 Cb 0.00 -0.93 -0.11 0.00 -1.01 0.00 0.00 64.21 62.16 1whb n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whb s SER 6 N -1.32 5.90 0.04 6.43 0.15 -1.26 -5.07 113.70 118.58 1whb s SER 6 Ca 0.56 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1whb s SER 6 Cb 0.45 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1whb s SER 6 CO 0.03 -0.37 -0.09 -0.83 1.20 0.00 0.00 173.24 173.18 1whb s GLY 7 N 1.63 0.56 0.35 9.45 0.00 -1.26 -5.10 107.32 112.95 1whb s GLY 7 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1whb s GLY 7 CO 0.08 -0.81 0.00 0.28 0.00 0.00 0.00 173.10 172.65 1whb n LYS 8 N 1.55 -2.94 -2.66 2.90 4.76 -1.26 -4.94 118.16 115.57 1whb n LYS 8 Ca -0.22 1.96 -0.04 0.00 -2.87 0.00 0.00 58.31 57.15 1whb n LYS 8 Cb 0.55 -3.57 0.01 0.00 -1.84 0.00 0.00 35.03 30.18 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1whb s GLU 10 N 0.04 2.20 -0.17 0.00 2.02 -1.26 -5.14 118.70 116.38 1whb s GLU 10 Ca 0.07 -2.05 -0.04 0.00 0.02 0.00 0.00 54.97 52.97 1whb s GLU 10 Cb 0.12 -1.86 0.08 0.00 0.10 0.00 0.00 34.13 32.56 1whb s GLU 10 CO -0.05 -0.28 0.22 0.95 0.02 0.00 0.00 175.26 176.12 1whb s THR 11 N -2.72 -0.33 -0.05 3.63 -4.23 -1.26 -5.05 115.64 105.64 1whb s THR 11 Ca 0.30 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1whb s THR 11 Cb 0.03 -0.57 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 1whb s THR 11 CO 0.17 -0.09 -0.11 1.17 -0.54 0.00 0.00 174.62 175.22 1whb n LYS 12 N 5.33 0.16 -3.73 3.99 4.81 -1.26 -5.11 118.16 122.35 1whb n LYS 12 Ca -0.05 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 1whb n LYS 12 Cb 0.50 -0.71 -0.04 0.00 0.02 0.00 0.00 35.03 34.80 1whb n LYS 12 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1whb s GLU 13 N -1.66 1.34 -0.20 1.64 2.56 -1.26 -5.15 118.70 115.96 1whb s GLU 13 Ca -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 54.97 53.99 1whb s GLU 13 Cb 0.01 0.51 0.09 0.00 2.00 0.00 0.00 34.13 36.75 1whb s GLU 13 CO 0.13 -0.56 0.21 0.15 -0.56 0.00 0.00 175.26 174.62 1whb s LYS 14 N -3.87 0.18 0.00 4.30 3.01 -1.26 -4.87 119.74 117.23 1whb s LYS 14 Ca 0.09 0.15 0.00 0.00 -1.01 0.00 0.00 55.97 55.20 1whb s LYS 14 Cb -0.01 -1.26 0.00 0.00 -1.01 0.00 0.00 37.83 35.55 1whb s LYS 14 CO -0.04 -0.68 0.00 0.41 0.51 0.00 0.00 175.35 175.56 1whb n GLY 15 N 5.31 1.85 2.90 -3.33 0.00 -1.26 -5.04 105.19 105.63 1whb n GLY 15 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1whb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whb s ALA 16 N -2.00 0.94 0.12 4.61 0.00 -1.26 -2.15 121.76 122.02 1whb s ALA 16 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1whb s ALA 16 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1whb s ALA 16 CO 0.00 -0.16 -0.19 -1.50 0.00 0.00 0.00 175.76 173.91 1whb s ILE 17 N 1.24 1.65 0.69 0.00 2.07 -0.87 -4.85 121.20 121.12 1whb s ILE 17 Ca -0.05 -1.66 0.04 0.00 -1.41 0.00 0.00 60.65 57.56 1whb s ILE 17 Cb -0.14 -1.60 0.13 0.00 0.13 0.00 0.00 42.46 40.98 1whb s ILE 17 CO -0.02 -0.20 0.95 0.42 -1.91 0.00 0.00 174.94 174.19 1whb s THR 18 N -1.57 2.01 0.16 4.00 -4.23 -1.26 -1.40 115.64 113.35 1whb s THR 18 Ca 0.09 -0.76 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1whb s THR 18 Cb -0.08 -2.24 -0.16 0.00 1.34 0.00 0.00 72.50 71.36 1whb s THR 18 CO 0.05 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.50 1whb h ALA 19 N -0.34 0.52 0.04 3.99 0.00 -1.97 -3.12 119.26 118.37 1whb h ALA 19 Ca -0.32 -0.76 -0.24 0.00 0.00 0.00 0.00 54.91 53.58 1whb h ALA 19 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1whb h ALA 19 CO 0.38 1.00 -1.04 -0.22 0.00 0.00 0.00 179.25 179.37 1whb h LYS 20 N 0.05 0.38 -0.10 0.00 1.63 -1.99 -2.94 116.57 113.61 1whb h LYS 20 Ca -0.03 -0.47 -0.05 0.00 -0.85 0.00 0.00 60.65 59.25 1whb h LYS 20 Cb 1.55 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 1whb h LYS 20 CO 0.13 1.15 -0.16 0.93 -3.45 0.00 0.00 179.45 178.04 1whb h GLU 21 N 0.19 0.15 0.04 1.90 5.08 -1.96 -1.26 114.58 118.72 1whb h GLU 21 Ca -0.10 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.00 1whb h GLU 21 Cb 1.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1whb h GLU 21 CO 0.18 0.32 -1.00 1.25 -1.00 0.00 0.00 179.01 178.76 1whb h LEU 22 N 0.14 0.25 -0.56 1.33 5.85 -1.55 -2.71 115.31 118.07 1whb h LEU 22 Ca 0.03 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 1whb h LEU 22 Cb 0.38 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1whb h LEU 22 CO 0.02 1.10 -0.71 0.22 -0.34 0.00 0.00 178.44 178.73 1whb h TYR 23 N 0.08 0.11 -0.03 1.25 3.20 -1.26 -1.38 116.97 118.94 1whb h TYR 23 Ca -0.06 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1whb h TYR 23 Cb 1.68 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.94 1whb h TYR 23 CO 0.03 0.76 -0.36 1.15 -1.64 0.00 0.00 178.16 178.11 1whb h THR 24 N 0.05 1.46 -0.22 1.81 2.02 -1.27 -2.92 112.91 113.84 1whb h THR 24 Ca -0.01 -1.87 -0.12 0.00 0.77 0.00 0.00 66.41 65.17 1whb h THR 24 Cb 1.26 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 1whb h THR 24 CO 0.10 0.53 -0.39 0.24 0.37 0.00 0.00 175.52 176.37 1whb h MET 25 N -0.25 0.49 0.16 6.66 2.86 -1.53 -1.85 114.93 121.47 1whb h MET 25 Ca -0.04 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1whb h MET 25 Cb 1.05 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1whb h MET 25 CO 0.07 0.80 -0.08 0.52 1.06 0.00 0.00 176.91 179.29 1whb h MET 26 N 0.41 -0.20 -0.26 1.72 2.07 -1.31 -2.82 114.93 114.54 1whb h MET 26 Ca 0.04 0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.59 1whb h MET 26 Cb 0.86 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.62 1whb h MET 26 CO 0.07 -0.11 -0.23 1.79 1.07 0.00 0.00 176.91 179.50 1whb h THR 27 N -0.24 1.26 -2.01 2.22 1.35 -1.50 -3.42 112.91 110.57 1whb h THR 27 Ca -0.02 -1.22 -0.58 0.00 -0.55 0.00 0.00 66.41 64.04 1whb h THR 27 Cb 0.19 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1whb h THR 27 CO 0.04 0.39 1.49 -0.62 -0.25 0.00 0.00 175.52 176.57 1whb s ASP 28 N -6.80 5.38 0.15 5.36 -1.08 -0.70 -4.84 116.67 114.14 1whb s ASP 28 Ca -0.07 1.76 -0.05 0.00 -0.52 0.00 0.00 52.55 53.67 1whb s ASP 28 Cb 0.14 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 39.06 1whb s ASP 28 CO 0.79 -2.04 1.37 0.07 0.52 0.00 0.00 175.17 175.89 1whb h LYS 29 N 15.35 0.53 -0.27 4.34 2.10 -1.83 -3.14 116.57 133.65 1whb h LYS 29 Ca -0.39 -0.45 0.00 0.00 -2.00 0.00 0.00 60.65 57.81 1whb h LYS 29 Cb 1.24 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 1whb h LYS 29 CO 0.98 1.08 0.18 -0.91 -2.00 0.00 0.00 179.45 178.78 1whb h ASN 30 N 0.35 0.31 -3.03 7.07 4.21 -1.94 -3.41 115.58 119.15 1whb h ASN 30 Ca -0.05 -0.01 -0.67 0.00 1.21 0.00 0.00 56.30 56.79 1whb h ASN 30 Cb 1.38 -0.08 -0.12 0.00 -1.12 0.00 0.00 38.32 38.39 1whb h ASN 30 CO 0.14 0.23 -0.55 -0.63 -1.29 0.00 0.00 177.43 175.33 1whb s ILE 31 N -5.34 4.89 0.26 2.81 1.01 -1.19 -5.10 121.20 118.55 1whb s ILE 31 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1whb s ILE 31 Cb 0.17 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1whb s ILE 31 CO 0.71 0.59 0.43 -0.44 0.00 0.00 0.00 174.94 176.23 1whb s SER 32 N -0.76 6.33 -0.03 3.58 0.01 -1.26 -4.76 113.70 116.80 1whb s SER 32 Ca 0.12 0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.38 1whb s SER 32 Cb -0.12 -1.95 0.10 0.00 0.21 0.00 0.00 66.02 64.26 1whb s SER 32 CO 0.03 -0.13 0.87 -0.22 0.41 0.00 0.00 173.24 174.19 1whb s LEU 33 N -3.90 -0.41 -0.09 2.44 2.96 -1.26 -2.97 118.68 115.44 1whb s LEU 33 Ca 0.37 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1whb s LEU 33 Cb -0.10 2.08 0.04 0.00 0.50 0.00 0.00 46.19 48.71 1whb s LEU 33 CO 0.31 -0.59 0.23 -0.63 -1.32 0.00 0.00 176.35 174.35 1whb s ILE 34 N -2.55 -0.03 0.15 6.68 1.01 -1.24 -5.00 121.20 120.23 1whb s ILE 34 Ca 0.02 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1whb s ILE 34 Cb -0.01 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 1whb s ILE 34 CO -0.05 0.04 0.01 -0.63 0.00 0.00 0.00 174.94 174.31 1whb s ILE 35 N 0.82 3.87 -0.01 2.92 1.01 -1.26 -1.05 121.20 127.50 1whb s ILE 35 Ca -0.06 -1.28 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 1whb s ILE 35 Cb -0.07 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1whb s ILE 35 CO -0.05 -0.05 0.04 -0.04 0.00 0.00 0.00 174.94 174.83 1whb s MET 36 N -2.80 0.09 -0.65 2.79 -1.94 -1.08 0.10 119.30 115.81 1whb s MET 36 Ca 0.27 -0.03 -0.16 0.00 -1.71 0.00 0.00 55.69 54.07 1whb s MET 36 Cb -0.10 0.04 0.16 0.00 2.01 0.00 0.00 34.83 36.93 1whb s MET 36 CO 0.19 -0.01 0.62 -0.51 -0.01 0.00 0.00 175.02 175.30 1whb s ASP 37 N -0.18 6.38 -1.40 3.03 1.11 -0.61 -0.63 116.67 124.38 1whb s ASP 37 Ca -0.02 -2.05 -0.12 0.00 0.18 0.00 0.00 52.55 50.54 1whb s ASP 37 Cb -0.02 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.70 1whb s ASP 37 CO -0.00 -0.80 2.52 0.00 1.18 0.00 0.00 175.17 178.07 1whb n ALA 38 N 4.98 6.15 -3.46 5.23 0.00 -1.26 -2.60 120.51 129.56 1whb n ALA 38 Ca -0.04 -3.40 -0.08 0.00 0.00 0.00 0.00 53.44 49.92 1whb n ALA 38 Cb 0.43 -3.40 -0.03 0.00 0.00 0.00 0.00 19.45 16.45 1whb n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1whb n ARG 39 N 4.77 0.18 -2.22 0.00 3.00 -1.23 -4.83 116.66 116.32 1whb n ARG 39 Ca 0.63 -1.22 -0.35 0.00 -0.01 0.00 0.00 57.85 56.90 1whb n ARG 39 Cb 0.28 1.03 0.00 0.00 0.00 0.00 0.00 32.46 33.78 1whb n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1whb s ARG 40 N -2.47 3.36 0.46 5.56 0.52 -1.26 -1.02 118.95 124.10 1whb s ARG 40 Ca 0.14 1.67 0.12 0.00 -0.52 0.00 0.00 55.73 57.15 1whb s ARG 40 Cb 0.01 -2.06 1.05 0.00 0.52 0.00 0.00 34.95 34.47 1whb s ARG 40 CO 0.10 -0.85 2.07 1.98 0.02 0.00 0.00 175.30 178.62 1whb h MET 41 N 1.29 0.31 -0.01 3.54 4.05 -1.94 -0.72 114.93 121.45 1whb h MET 41 Ca -0.50 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 58.83 1whb h MET 41 Cb 1.27 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1whb h MET 41 CO 0.57 0.20 -0.34 1.96 0.23 0.00 0.00 176.91 179.54 1whb h GLN 42 N 0.32 0.01 -0.04 0.39 4.20 -1.99 -2.59 115.11 115.40 1whb h GLN 42 Ca 0.13 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1whb h GLN 42 Cb 0.12 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1whb h GLN 42 CO -0.03 0.35 -0.05 0.22 -0.67 0.00 0.00 178.83 178.65 1whb h ASP 43 N 0.01 0.12 -0.99 1.46 1.82 -1.49 -2.41 116.42 114.94 1whb h ASP 43 Ca -0.00 -0.52 0.04 0.00 -0.39 0.00 0.00 57.03 56.16 1whb h ASP 43 Cb 0.60 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.52 1whb h ASP 43 CO 0.04 0.61 0.65 0.22 -1.61 0.00 0.00 179.24 179.16 1whb h TYR 44 N -0.37 1.21 -0.02 0.28 3.20 -1.41 0.33 116.97 120.18 1whb h TYR 44 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1whb h TYR 44 Cb 0.59 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1whb h TYR 44 CO 0.10 0.68 -0.37 1.96 -1.64 0.00 0.00 178.16 178.89 1whb h GLN 45 N 1.23 0.04 0.09 1.82 1.08 -1.47 -3.17 115.11 114.74 1whb h GLN 45 Ca 0.41 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.46 1whb h GLN 45 Cb 0.05 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1whb h GLN 45 CO -0.14 0.41 -0.59 0.22 -0.95 0.00 0.00 178.83 177.78 1whb h ASP 46 N 0.04 0.30 -4.93 1.46 3.58 -0.69 -3.48 116.42 112.70 1whb h ASP 46 Ca 0.00 -0.95 -0.13 0.00 0.42 0.00 0.00 57.03 56.37 1whb h ASP 46 Cb 0.68 -0.10 -0.20 0.00 1.72 0.00 0.00 39.33 41.43 1whb h ASP 46 CO 0.05 1.28 -0.33 -0.44 -2.88 0.00 0.00 179.24 176.92 1whb s SER 47 N -6.73 -0.14 -0.22 2.28 0.01 0.10 -4.83 113.70 104.18 1whb s SER 47 Ca -0.16 0.04 -0.36 0.00 1.31 0.00 0.00 55.95 56.77 1whb s SER 47 Cb -0.00 0.30 0.15 0.00 0.21 0.00 0.00 66.02 66.67 1whb s SER 47 CO 0.78 -0.41 1.31 0.00 0.41 0.00 0.00 173.24 175.32 1whb s ILE 49 N -2.23 4.24 0.01 0.00 1.01 -1.26 -2.57 121.20 120.40 1whb s ILE 49 Ca 0.11 0.78 -0.05 0.00 0.00 0.00 0.00 60.65 61.50 1whb s ILE 49 Cb -0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1whb s ILE 49 CO -0.04 -0.90 1.06 -0.07 0.00 0.00 0.00 174.94 175.00 1whb h LEU 50 N -0.38 -0.14 -7.12 2.97 3.38 -1.86 -3.34 115.31 108.82 1whb h LEU 50 Ca -0.44 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 56.74 1whb h LEU 50 Cb 1.20 0.04 -0.25 0.00 0.09 0.00 0.00 40.66 41.74 1whb h LEU 50 CO 0.59 -0.10 0.96 1.41 0.09 0.00 0.00 178.44 181.38 1whb n HIS 51 N -2.46 3.56 -3.79 1.13 8.25 -1.26 -4.96 115.22 115.69 1whb n HIS 51 Ca -0.02 -3.09 -0.13 0.00 -0.26 0.00 0.00 57.72 54.22 1whb n HIS 51 Cb 0.07 -1.61 -0.09 0.00 1.12 0.00 0.00 29.99 29.48 1whb n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1whb s SER 52 N 0.06 -0.16 0.65 0.41 1.04 -1.25 -4.64 113.70 109.80 1whb s SER 52 Ca 0.34 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 1whb s SER 52 Cb 0.00 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1whb s SER 52 CO 0.02 -0.35 0.93 -0.22 0.98 0.00 0.00 173.24 174.61 1whb s LEU 53 N -1.01 2.98 0.01 2.42 2.96 0.28 -4.90 118.68 121.43 1whb s LEU 53 Ca -0.11 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1whb s LEU 53 Cb -0.05 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1whb s LEU 53 CO 0.03 -1.45 -0.11 -0.55 -1.32 0.00 0.00 176.35 172.94 1whb s SER 54 N -4.49 1.32 -0.16 3.68 0.15 -1.26 -1.57 113.70 111.37 1whb s SER 54 Ca 0.59 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 1whb s SER 54 Cb -0.10 -0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.18 1whb s SER 54 CO 0.43 0.07 0.26 0.54 1.20 0.00 0.00 173.24 175.73 1whb s VAL 55 N -0.54 -0.40 0.53 4.45 0.11 -1.07 -4.65 120.40 118.82 1whb s VAL 55 Ca 0.02 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.00 1whb s VAL 55 Cb -0.06 -0.55 -0.10 0.00 -1.53 0.00 0.00 36.38 34.14 1whb s VAL 55 CO 0.00 -0.01 0.46 -2.65 -3.33 0.00 0.00 175.10 169.57 1whb n PRO 56 N 5.34 0.48 0.07 1.54 -0.02 -1.26 -3.48 135.00 137.68 1whb n PRO 56 Ca -0.06 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1whb n PRO 56 Cb 0.50 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.27 1whb n PRO 56 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1whb h GLU 57 N 0.36 0.09 -0.21 -0.52 4.81 -1.40 -3.24 114.58 114.47 1whb h GLU 57 Ca -0.44 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.47 1whb h GLU 57 Cb 1.40 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 1whb h GLU 57 CO 0.48 1.07 -0.55 1.49 -0.73 0.00 0.00 179.01 180.77 1whb h GLU 58 N 0.02 0.62 -0.06 1.92 4.57 -1.91 -3.03 114.58 116.72 1whb h GLU 58 Ca -0.05 -0.39 -0.05 0.00 -1.18 0.00 0.00 59.36 57.69 1whb h GLU 58 Cb 1.84 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 1whb h GLU 58 CO 0.15 1.00 -0.19 0.00 -1.18 0.00 0.00 179.01 178.80 1whb h ALA 59 N 0.92 1.59 -1.65 2.92 0.00 -1.89 -3.38 119.26 117.76 1whb h ALA 59 Ca 0.01 -0.20 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 1whb h ALA 59 Cb 1.10 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 1whb h ALA 59 CO 0.11 0.30 0.63 0.42 0.00 0.00 0.00 179.25 180.71 1whb s ILE 60 N -4.62 4.25 0.27 0.00 1.01 -1.14 -4.55 121.20 116.41 1whb s ILE 60 Ca -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 1whb s ILE 60 Cb 0.15 -4.68 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 1whb s ILE 60 CO 0.71 -1.43 0.64 -0.44 0.00 0.00 0.00 174.94 174.42 1whb s SER 61 N 3.48 6.72 -1.16 3.58 0.01 -1.26 -4.93 113.70 120.13 1whb s SER 61 Ca 0.26 1.11 -0.23 0.00 1.31 0.00 0.00 55.95 58.40 1whb s SER 61 Cb -0.14 -2.30 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1whb s SER 61 CO 0.13 -0.12 1.95 -2.16 0.41 0.00 0.00 173.24 173.45 1whb s PRO 62 N -2.82 2.43 0.00 12.44 0.04 -1.26 -3.48 135.00 142.34 1whb s PRO 62 Ca 0.50 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1whb s PRO 62 Cb -0.11 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1whb s PRO 62 CO 0.19 -4.03 0.00 0.41 0.04 0.00 0.00 177.00 173.62 1whb n GLY 63 N 5.89 0.53 3.47 0.56 0.00 -1.26 -4.91 105.19 109.46 1whb n GLY 63 Ca 0.44 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1whb n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1whb s VAL 64 N -0.49 0.37 0.49 1.61 -7.23 -1.23 -5.16 120.40 108.77 1whb s VAL 64 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 1whb s VAL 64 Cb 0.00 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 1whb s VAL 64 CO 0.00 0.00 0.27 0.42 -0.31 0.00 0.00 175.10 175.48 1whb s THR 65 N -3.23 1.83 0.43 5.32 -4.23 -1.26 -4.38 115.64 110.13 1whb s THR 65 Ca 0.26 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.23 1whb s THR 65 Cb 0.01 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.66 1whb s THR 65 CO 0.18 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.34 1whb h ALA 66 N 1.07 1.78 -0.22 3.99 0.00 -1.78 -1.38 119.26 122.72 1whb h ALA 66 Ca -0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1whb h ALA 66 Cb 1.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1whb h ALA 66 CO 0.64 0.21 0.12 1.03 0.00 0.00 0.00 179.25 181.24 1whb h SER 67 N 0.44 0.26 0.50 0.00 0.87 -1.95 0.27 113.55 113.93 1whb h SER 67 Ca 0.12 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1whb h SER 67 Cb -0.03 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1whb h SER 67 CO -0.03 0.21 -0.24 -0.25 -0.53 0.00 0.00 176.83 175.99 1whb h TRP 68 N 0.30 -0.62 -0.71 2.24 2.91 -1.64 -2.94 115.95 115.48 1whb h TRP 68 Ca 0.08 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 1whb h TRP 68 Cb 0.01 0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 1whb h TRP 68 CO 0.00 -0.33 0.36 0.82 -1.03 0.00 0.00 178.44 178.26 1whb h ILE 69 N -1.12 1.23 -0.42 2.65 5.03 -1.46 -2.08 117.51 121.34 1whb h ILE 69 Ca -0.07 -0.62 0.12 0.00 -0.12 0.00 0.00 64.86 64.17 1whb h ILE 69 Cb 0.56 0.33 -0.02 0.00 -3.03 0.00 0.00 36.82 34.66 1whb h ILE 69 CO 0.11 0.26 0.36 -0.08 -0.68 0.00 0.00 178.15 178.12 1whb h GLU 70 N 0.99 0.00 0.00 2.37 4.81 -0.54 0.14 114.58 122.35 1whb h GLU 70 Ca 0.25 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.28 1whb h GLU 70 Cb 0.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1whb h GLU 70 CO -0.03 0.00 -0.93 0.00 -0.73 0.00 0.00 179.01 177.32 1whb h ALA 71 N 1.68 0.47 -3.39 2.92 0.00 -1.19 -3.40 119.26 116.35 1whb h ALA 71 Ca 0.20 -0.84 -0.66 0.00 0.00 0.00 0.00 54.91 53.60 1whb h ALA 71 Cb 0.91 -0.15 -0.39 0.00 0.00 0.00 0.00 17.79 18.16 1whb h ALA 71 CO -0.00 1.16 -0.59 -1.01 0.00 0.00 0.00 179.25 178.81 1whb s HIS 72 N -2.88 3.38 0.02 0.00 3.76 0.48 -5.06 115.29 114.99 1whb s HIS 72 Ca 0.01 -3.00 -0.22 0.00 -0.15 0.00 0.00 55.06 51.70 1whb s HIS 72 Cb 0.10 -2.95 0.05 0.00 1.11 0.00 0.00 32.58 30.89 1whb s HIS 72 CO 0.81 -0.82 0.50 -0.51 -0.85 0.00 0.00 174.74 173.87 1whb s LEU 73 N 0.11 0.04 0.00 0.89 1.43 -1.24 -4.75 118.68 115.16 1whb s LEU 73 Ca 0.15 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.42 1whb s LEU 73 Cb -0.23 2.01 0.09 0.00 0.03 0.00 0.00 46.19 48.08 1whb s LEU 73 CO -0.03 -0.65 0.20 -2.65 0.23 0.00 0.00 176.35 173.44 1whb n PRO 74 N 0.62 -1.23 -0.01 1.29 -0.02 -1.26 -4.77 135.00 129.63 1whb n PRO 74 Ca -0.19 -0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 60.84 1whb n PRO 74 Cb 0.59 -0.55 -0.14 0.00 -0.02 0.00 0.00 33.50 33.38 1whb n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1whb n ASP 75 N -2.19 1.25 -0.01 2.55 9.92 -1.26 -3.38 116.55 123.43 1whb n ASP 75 Ca 0.03 0.36 -0.14 0.00 -0.53 0.00 0.00 54.79 54.51 1whb n ASP 75 Cb 0.14 -0.32 -0.14 0.00 -0.64 0.00 0.00 41.12 40.16 1whb n ASP 75 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1whb n ASP 76 N -3.18 1.46 0.01 -2.24 2.03 -1.26 -4.14 116.55 109.23 1whb n ASP 76 Ca -0.21 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.37 1whb n ASP 76 Cb 1.05 -0.44 0.14 0.00 -0.72 0.00 0.00 41.12 41.14 1whb n ASP 76 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1whb h SER 77 N 0.03 0.54 -0.14 1.67 0.87 -1.86 -2.85 113.55 111.81 1whb h SER 77 Ca -0.34 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.02 1whb h SER 77 Cb 2.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1whb h SER 77 CO 0.09 0.86 0.10 0.50 -0.53 0.00 0.00 176.83 177.85 1whb h LYS 78 N 0.43 0.04 0.54 2.24 1.63 -1.71 0.16 116.57 119.91 1whb h LYS 78 Ca 0.04 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1whb h LYS 78 Cb 0.84 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.47 1whb h LYS 78 CO 0.07 0.03 -0.26 -0.44 -3.45 0.00 0.00 179.45 175.40 1whb h ASP 79 N 0.05 -0.62 0.71 4.20 3.32 -1.66 -2.97 116.42 119.46 1whb h ASP 79 Ca 0.06 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1whb h ASP 79 Cb 0.20 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1whb h ASP 79 CO -0.00 -0.31 -0.35 0.74 -1.72 0.00 0.00 179.24 177.60 1whb h THR 80 N -0.93 0.90 -0.17 0.35 2.02 -1.56 -3.19 112.91 110.33 1whb h THR 80 Ca -0.07 -1.37 0.04 0.00 0.77 0.00 0.00 66.41 65.78 1whb h THR 80 Cb 0.62 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 1whb h THR 80 CO 0.12 0.34 -0.10 -0.25 0.37 0.00 0.00 175.52 176.00 1whb h TRP 81 N 0.00 -0.23 0.00 3.16 2.91 -0.60 0.16 115.95 121.35 1whb h TRP 81 Ca -0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1whb h TRP 81 Cb 0.80 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1whb h TRP 81 CO 0.00 -0.15 0.00 0.87 -1.03 0.00 0.00 178.44 178.13 1whb h LYS 82 N -0.09 0.00 -0.33 2.65 1.57 -1.51 -1.59 116.57 117.28 1whb h LYS 82 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1whb h LYS 82 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1whb h LYS 82 CO -0.23 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.28 1whb n LYS 83 N -2.45 1.76 0.22 3.15 5.02 0.04 -4.07 118.16 121.82 1whb n LYS 83 Ca 0.00 -1.18 0.06 0.00 -2.02 0.00 0.00 58.31 55.17 1whb n LYS 83 Cb 0.16 -1.25 0.51 0.00 -0.02 0.00 0.00 35.03 34.42 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1whb h ARG 84 N 1.92 0.00 -0.31 1.97 -0.00 -1.20 -1.69 114.38 115.07 1whb h ARG 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1whb h ARG 84 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1whb h ARG 84 CO 0.00 0.20 0.00 0.41 -0.00 0.00 0.00 179.97 180.58 1whb n GLY 85 N -0.91 0.44 0.06 0.08 0.00 -1.26 -3.79 105.19 99.83 1whb n GLY 85 Ca -0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1whb n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whb n ASN 86 N 0.39 2.13 -3.66 1.61 2.85 -0.64 -5.00 115.26 112.93 1whb n ASN 86 Ca 0.10 -0.02 -0.27 0.00 -0.11 0.00 0.00 54.58 54.28 1whb n ASN 86 Cb 0.26 0.61 0.20 0.00 1.24 0.00 0.00 39.78 42.10 1whb n ASN 86 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1whb n VAL 87 N -2.54 0.00 -0.06 3.44 0.24 -1.17 -5.00 118.33 113.23 1whb n VAL 87 Ca -0.21 -0.75 -0.07 0.00 -2.04 0.00 0.00 64.34 61.27 1whb n VAL 87 Cb 0.88 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.79 1whb n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1whb n GLU 88 N -3.94 0.41 -3.29 7.34 4.07 -1.24 -4.73 120.64 119.27 1whb n GLU 88 Ca 0.15 0.16 -0.19 0.00 -0.06 0.00 0.00 57.16 57.22 1whb n GLU 88 Cb 0.54 -1.22 -0.00 0.00 -0.06 0.00 0.00 31.44 30.69 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1whb s TYR 89 N -2.62 2.60 -0.03 4.31 1.51 -1.16 -3.96 117.35 118.00 1whb s TYR 89 Ca -0.23 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 55.31 1whb s TYR 89 Cb 0.03 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1whb s TYR 89 CO 0.34 -0.35 0.10 0.08 -1.11 0.00 0.00 175.55 174.60 1whb s VAL 90 N -2.45 0.02 0.08 0.71 1.01 -1.26 -3.67 120.40 114.84 1whb s VAL 90 Ca 0.52 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1whb s VAL 90 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1whb s VAL 90 CO 0.31 -0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 174.55 1whb s VAL 91 N -0.33 0.49 0.37 2.92 1.01 -0.22 -1.45 120.40 123.19 1whb s VAL 91 Ca -0.04 -1.81 0.04 0.00 0.00 0.00 0.00 61.98 60.17 1whb s VAL 91 Cb -0.03 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1whb s VAL 91 CO 0.00 -0.88 0.15 -0.76 0.00 0.00 0.00 175.10 173.60 1whb s LEU 92 N -2.87 1.90 0.40 3.92 1.43 -0.60 -2.64 118.68 120.22 1whb s LEU 92 Ca 0.08 -1.63 0.04 0.00 -1.03 0.00 0.00 54.13 51.59 1whb s LEU 92 Cb 0.05 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.26 1whb s LEU 92 CO -0.06 -0.91 0.13 -0.76 0.23 0.00 0.00 176.35 174.99 1whb s LEU 93 N -3.51 1.98 0.00 1.79 1.43 0.20 -2.27 118.68 118.30 1whb s LEU 93 Ca 0.29 -1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 51.44 1whb s LEU 93 Cb 0.04 -0.08 0.09 0.00 0.03 0.00 0.00 46.19 46.27 1whb s LEU 93 CO 0.17 -0.93 1.28 -0.90 0.23 0.00 0.00 176.35 176.20 1whb n ASP 94 N -1.29 -1.11 -0.13 2.29 5.75 -1.26 -4.04 116.55 116.76 1whb n ASP 94 Ca -0.05 -1.16 -0.28 0.00 -0.01 0.00 0.00 54.79 53.29 1whb n ASP 94 Cb 0.65 1.70 -0.10 0.00 -1.03 0.00 0.00 41.12 42.34 1whb n ASP 94 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1whb n TRP 95 N -0.93 0.23 -2.45 2.11 5.03 -1.26 0.80 117.44 120.97 1whb n TRP 95 Ca 0.05 0.10 -0.03 0.00 3.03 0.00 0.00 57.50 60.65 1whb n TRP 95 Cb 0.57 -1.01 0.04 0.00 -1.03 0.00 0.00 31.31 29.88 1whb n TRP 95 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1whb n PHE 96 N -4.30 -0.70 -3.93 -5.99 3.72 -1.25 -4.33 117.46 100.69 1whb n PHE 96 Ca -0.49 -1.24 -0.30 0.00 -0.05 0.00 0.00 57.45 55.37 1whb n PHE 96 Cb 0.83 0.78 -0.14 0.00 -0.94 0.00 0.00 39.48 40.00 1whb n PHE 96 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1whb s SER 97 N -1.56 4.36 0.97 4.37 1.04 -1.26 -5.02 113.70 116.61 1whb s SER 97 Ca 0.11 -2.58 -0.15 0.00 0.48 0.00 0.00 55.95 53.81 1whb s SER 97 Cb 0.28 -1.51 0.18 0.00 0.10 0.00 0.00 66.02 65.07 1whb s SER 97 CO -0.08 -0.30 1.22 -0.44 0.98 0.00 0.00 173.24 174.63 1whb s SER 98 N 0.32 3.02 0.46 7.02 0.01 -1.26 -4.75 113.70 118.51 1whb s SER 98 Ca 0.15 0.56 0.13 0.00 1.31 0.00 0.00 55.95 58.10 1whb s SER 98 Cb -0.23 -0.83 1.08 0.00 0.21 0.00 0.00 66.02 66.26 1whb s SER 98 CO -0.04 -2.82 2.06 0.00 0.41 0.00 0.00 173.24 172.85 1whb h ALA 99 N -1.69 1.96 0.01 1.44 0.00 -1.83 -1.10 119.26 118.05 1whb h ALA 99 Ca -0.46 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1whb h ALA 99 Cb 1.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1whb h ALA 99 CO 0.47 -0.01 -0.98 0.87 0.00 0.00 0.00 179.25 179.60 1whb h LYS 100 N 0.29 0.02 -0.02 0.00 6.56 -1.94 -3.23 116.57 118.25 1whb h LYS 100 Ca 0.15 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.63 1whb h LYS 100 Cb 0.22 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1whb h LYS 100 CO -0.03 0.98 -0.31 -0.44 -2.06 0.00 0.00 179.45 177.59 1whb h ASP 101 N 0.01 0.04 -3.33 0.86 5.19 -1.55 -3.43 116.42 114.20 1whb h ASP 101 Ca -0.02 -0.01 -0.53 0.00 -0.62 0.00 0.00 57.03 55.85 1whb h ASP 101 Cb 1.71 -0.01 0.08 0.00 0.18 0.00 0.00 39.33 41.30 1whb h ASP 101 CO 0.13 0.35 0.89 -0.76 -3.12 0.00 0.00 179.24 176.73 1whb s LEU 102 N -8.35 4.34 0.00 1.55 1.43 -0.97 -4.88 118.68 111.81 1whb s LEU 102 Ca -0.03 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1whb s LEU 102 Cb 0.15 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1whb s LEU 102 CO 0.72 -0.92 0.00 0.00 0.23 0.00 0.00 176.35 176.38 1whb n GLN 103 N 2.15 0.00 -3.79 1.70 6.02 -1.26 -5.05 117.38 117.15 1whb n GLN 103 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 1whb n GLN 103 Cb 0.37 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.49 1whb n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1whb s ILE 104 N -0.19 -0.03 -1.09 5.09 1.09 -1.26 -4.85 121.20 119.96 1whb s ILE 104 Ca 0.00 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1whb s ILE 104 Cb 0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 42.46 41.22 1whb s ILE 104 CO 0.00 0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.49 1whb n GLY 105 N 3.63 0.12 3.81 6.18 0.00 -1.26 -5.00 105.19 112.68 1whb n GLY 105 Ca -0.20 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1whb n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whb s THR 106 N -2.58 4.97 0.48 2.61 -4.23 -1.26 -4.90 115.64 110.73 1whb s THR 106 Ca 0.00 0.96 0.14 0.00 -1.18 0.00 0.00 61.69 61.61 1whb s THR 106 Cb 0.00 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.35 1whb s THR 106 CO 0.00 0.54 2.10 0.74 -0.54 0.00 0.00 174.62 177.46 1whb h THR 107 N 3.79 1.00 0.02 3.99 2.02 -1.92 0.11 112.91 121.93 1whb h THR 107 Ca -0.50 -0.07 -0.23 0.00 0.77 0.00 0.00 66.41 66.38 1whb h THR 107 Cb 1.21 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1whb h THR 107 CO 0.64 0.04 -1.15 -0.07 0.37 0.00 0.00 175.52 175.34 1whb h LEU 108 N 0.20 0.07 -0.03 2.58 3.38 -1.92 -2.86 115.31 116.72 1whb h LEU 108 Ca 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1whb h LEU 108 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1whb h LEU 108 CO -0.02 1.06 -0.25 -0.09 0.09 0.00 0.00 178.44 179.24 1whb h ARG 109 N 0.01 0.21 -0.69 1.13 9.65 -1.68 -1.32 114.38 121.70 1whb h ARG 109 Ca -0.07 -0.19 -0.05 0.00 -1.10 0.00 0.00 59.98 58.56 1whb h ARG 109 Cb 1.84 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 30.44 1whb h ARG 109 CO 0.13 0.88 0.23 0.66 2.80 0.00 0.00 179.97 184.67 1whb h SER 110 N -0.38 1.00 0.50 -3.80 4.64 -0.95 0.85 113.55 115.41 1whb h SER 110 Ca -0.02 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 1whb h SER 110 Cb 0.95 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1whb h SER 110 CO 0.05 0.93 -0.60 0.25 -0.87 0.00 0.00 176.83 176.59 1whb h LEU 111 N 1.01 0.11 0.08 5.97 5.85 -1.58 -1.31 115.31 125.44 1whb h LEU 111 Ca 0.22 -0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.60 1whb h LEU 111 Cb 0.28 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1whb h LEU 111 CO -0.01 0.68 -1.43 0.50 -0.34 0.00 0.00 178.44 177.84 1whb h LYS 112 N 0.07 0.16 0.00 1.25 3.64 -0.88 -3.31 116.57 117.51 1whb h LYS 112 Ca -0.01 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1whb h LYS 112 Cb 1.08 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1whb h LYS 112 CO 0.08 1.01 0.00 -0.44 -2.27 0.00 0.00 179.45 177.83 1whb h ASP 113 N 0.04 0.00 -0.40 4.20 5.19 0.76 -3.14 116.42 123.08 1whb h ASP 113 Ca -0.20 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1whb h ASP 113 Cb 1.96 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.47 1whb h ASP 113 CO 0.14 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.27 1whb n ALA 114 N -2.07 3.47 0.00 3.45 0.00 -0.50 -0.35 120.51 124.51 1whb n ALA 114 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1whb n ALA 114 Cb 0.48 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1whb n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whb n LEU 115 N 0.42 2.28 -0.05 0.00 4.77 -1.19 -3.37 117.00 119.86 1whb n LEU 115 Ca 0.19 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1whb n LEU 115 Cb 0.91 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.96 1whb n LEU 115 CO 0.23 0.38 -0.81 0.33 -1.33 0.00 0.00 177.39 176.18 1whb n PHE 116 N -2.57 0.00 0.23 -1.77 7.35 -1.24 -4.63 117.46 114.82 1whb n PHE 116 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1whb n PHE 116 Cb 0.48 -0.39 -0.04 0.00 0.35 0.00 0.00 39.48 39.88 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1whb h LYS 117 N -0.42 -0.58 -5.52 -4.13 3.64 -1.75 -3.33 116.57 104.48 1whb h LYS 117 Ca -0.25 0.04 -0.69 0.00 -1.27 0.00 0.00 60.65 58.48 1whb h LYS 117 Cb 1.13 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 1whb h LYS 117 CO -0.15 -0.38 1.79 -1.58 -2.27 0.00 0.00 179.45 176.85 1whb s TRP 118 N -4.33 2.98 -0.15 1.91 0.52 0.53 -4.97 118.94 115.42 1whb s TRP 118 Ca -0.09 -1.66 -0.08 0.00 0.02 0.00 0.00 56.10 54.29 1whb s TRP 118 Cb 0.01 -4.60 -0.04 0.00 -1.15 0.00 0.00 33.47 27.69 1whb s TRP 118 CO 0.27 -1.69 0.12 -2.00 0.02 0.00 0.00 176.95 173.67 1whb s GLU 119 N 3.47 3.71 -0.10 4.98 2.12 -1.25 -4.42 118.70 127.21 1whb s GLU 119 Ca 0.48 -0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.63 1whb s GLU 119 Cb 0.01 -3.24 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 1whb s GLU 119 CO 0.02 0.56 -0.07 0.43 -0.54 0.00 0.00 175.26 175.67 1whb n SER 120 N 2.67 3.12 0.06 -1.70 7.64 -1.26 -5.00 113.62 119.15 1whb n SER 120 Ca -0.18 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1whb n SER 120 Cb 0.54 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1whb n SER 120 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1whb n LYS 121 N -2.71 0.00 -2.52 1.43 4.01 -1.26 -5.11 118.16 112.00 1whb n LYS 121 Ca -0.18 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.21 1whb n LYS 121 Cb 0.72 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.20 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1whb s THR 122 N -2.00 3.88 0.10 -0.18 2.01 -1.26 -5.05 115.64 113.14 1whb s THR 122 Ca 0.00 1.62 0.07 0.00 0.31 0.00 0.00 61.69 63.69 1whb s THR 122 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1whb s THR 122 CO 0.00 0.28 -0.18 0.54 -0.69 0.00 0.00 174.62 174.57 1whb s VAL 123 N -0.22 1.48 0.36 3.82 0.11 -1.26 -4.89 120.40 119.80 1whb s VAL 123 Ca 0.49 -1.53 0.08 0.00 -2.93 0.00 0.00 61.98 58.09 1whb s VAL 123 Cb -0.29 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1whb s VAL 123 CO 0.35 -0.18 0.31 -0.76 -3.33 0.00 0.00 175.10 171.48 1whb s LEU 124 N -2.00 3.51 0.17 2.54 1.43 -1.26 -4.79 118.68 118.28 1whb s LEU 124 Ca 0.05 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 1whb s LEU 124 Cb -0.09 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.05 1whb s LEU 124 CO 0.04 -0.45 1.48 0.03 0.23 0.00 0.00 176.35 177.67 1whb h ARG 125 N 1.20 0.67 0.00 1.70 2.47 -1.85 -3.47 114.38 115.10 1whb h ARG 125 Ca -0.44 -0.42 -0.31 0.00 -1.26 0.00 0.00 59.98 57.55 1whb h ARG 125 Cb 1.26 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.54 1whb h ARG 125 CO 0.58 1.04 -0.27 0.09 0.56 0.00 0.00 179.97 181.97 1whb n ASN 126 N -3.98 -0.71 -4.68 7.04 3.02 -1.26 -5.11 115.26 109.59 1whb n ASN 126 Ca -0.03 -2.59 -0.40 0.00 -0.03 0.00 0.00 54.58 51.52 1whb n ASN 126 Cb 0.61 1.50 -0.05 0.00 -0.61 0.00 0.00 39.78 41.23 1whb n ASN 126 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1whb s GLU 127 N -2.89 4.32 0.16 3.52 2.02 -1.26 -4.91 118.70 119.66 1whb s GLU 127 Ca 0.28 0.86 -0.34 0.00 0.02 0.00 0.00 54.97 55.79 1whb s GLU 127 Cb 0.01 -3.53 -0.14 0.00 0.10 0.00 0.00 34.13 30.56 1whb s GLU 127 CO 0.20 -0.18 1.49 -2.30 0.02 0.00 0.00 175.26 174.49 1whb n PRO 128 N 4.70 1.91 -3.53 0.39 -0.02 -1.26 -4.64 135.00 132.55 1whb n PRO 128 Ca 0.01 0.69 -0.20 0.00 -2.02 0.00 0.00 63.50 61.98 1whb n PRO 128 Cb 0.50 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1whb n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1whb s LEU 129 N 0.68 3.61 -0.06 2.45 1.02 -0.53 -4.68 118.68 121.17 1whb s LEU 129 Ca 0.78 -0.50 0.05 0.00 0.02 0.00 0.00 54.13 54.48 1whb s LEU 129 Cb -0.73 -2.34 -0.01 0.00 0.02 0.00 0.00 46.19 43.12 1whb s LEU 129 CO 0.42 -0.53 -0.23 0.54 0.02 0.00 0.00 176.35 176.57 1whb s VAL 130 N -2.34 2.27 0.52 -1.59 0.11 -0.91 -1.55 120.40 116.90 1whb s VAL 130 Ca 0.46 -0.99 -0.23 0.00 -2.93 0.00 0.00 61.98 58.30 1whb s VAL 130 Cb -0.06 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 32.88 1whb s VAL 130 CO 0.29 0.57 1.39 -0.22 -3.33 0.00 0.00 175.10 173.80 1whb s LEU 131 N -0.22 3.93 -0.62 2.54 2.96 -0.96 -2.06 118.68 124.25 1whb s LEU 131 Ca -0.02 2.83 -0.27 0.00 -0.22 0.00 0.00 54.13 56.46 1whb s LEU 131 Cb -0.13 -4.17 -0.01 0.00 0.50 0.00 0.00 46.19 42.38 1whb s LEU 131 CO 0.03 -1.47 1.71 -1.61 -1.32 0.00 0.00 176.35 173.69 1whb s GLU 132 N -2.77 2.82 0.00 1.98 0.41 -0.49 -2.92 118.70 117.73 1whb s GLU 132 Ca 0.68 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 55.70 1whb s GLU 132 Cb -0.42 -4.32 0.00 0.00 -1.78 0.00 0.00 34.13 27.61 1whb s GLU 132 CO 0.51 -2.52 0.00 0.41 -0.49 0.00 0.00 175.26 173.17 1whb n GLY 133 N 5.59 3.02 4.71 -1.39 0.00 -1.26 -4.64 105.19 111.22 1whb n GLY 133 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1whb n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whb n GLY 134 N -0.14 -0.26 0.36 -0.02 0.00 -1.15 -3.82 105.19 100.16 1whb n GLY 134 Ca 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.67 1whb n GLY 134 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1whb h TYR 135 N 0.00 1.08 -0.32 1.61 3.20 0.08 -1.14 116.97 121.49 1whb h TYR 135 Ca 0.00 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.99 1whb h TYR 135 Cb 0.00 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 1whb h TYR 135 CO 0.00 0.68 0.24 1.49 -1.64 0.00 0.00 178.16 178.93 1whb h GLU 136 N 1.16 0.00 0.02 1.82 4.57 -1.70 -1.07 114.58 119.39 1whb h GLU 136 Ca 0.32 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.20 1whb h GLU 136 Cb -0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1whb h GLU 136 CO -0.07 0.00 -1.74 -0.97 -1.18 0.00 0.00 179.01 175.04 1whb h ASN 137 N 0.00 0.08 -0.10 1.04 -0.73 -1.43 -3.35 115.58 111.09 1whb h ASN 137 Ca 0.15 -0.18 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 1whb h ASN 137 Cb 0.64 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 1whb h ASN 137 CO -0.00 1.16 -0.09 -0.25 -0.37 0.00 0.00 177.43 177.88 1whb h TRP 138 N 0.01 0.42 -0.09 0.67 2.91 -0.09 0.36 115.95 120.14 1whb h TRP 138 Ca -0.30 -0.05 -0.10 0.00 1.13 0.00 0.00 58.89 59.57 1whb h TRP 138 Cb 2.01 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 30.53 1whb h TRP 138 CO 0.02 0.49 -0.39 -0.07 -1.03 0.00 0.00 178.44 177.45 1whb h LEU 139 N 0.38 0.20 0.00 0.65 3.38 -1.41 0.81 115.31 119.33 1whb h LEU 139 Ca 0.08 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1whb h LEU 139 Cb 0.39 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1whb h LEU 139 CO 0.02 0.58 -1.29 -0.07 0.09 0.00 0.00 178.44 177.77 1whb h LEU 140 N 0.17 0.00 0.06 1.67 3.38 -1.55 -3.03 115.31 116.01 1whb h LEU 140 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1whb h LEU 140 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1whb h LEU 140 CO 0.06 0.93 -1.15 0.00 0.09 0.00 0.00 178.44 178.37 1whb s TYR 142 N -2.40 0.47 0.22 0.00 2.02 0.28 -4.98 117.35 112.96 1whb s TYR 142 Ca -0.22 -1.85 0.05 0.00 -0.37 0.00 0.00 57.07 54.67 1whb s TYR 142 Cb 0.04 -0.66 0.20 0.00 -0.40 0.00 0.00 41.96 41.14 1whb s TYR 142 CO 0.70 -0.92 1.52 -1.00 -1.57 0.00 0.00 175.55 174.29 1whb h PRO 143 N 5.74 0.21 0.00 -1.71 0.13 -1.54 -2.98 132.00 131.85 1whb h PRO 143 Ca 0.20 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1whb h PRO 143 Cb 0.96 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1whb h PRO 143 CO 0.28 0.79 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 1whb n GLN 144 N -3.82 0.19 -1.11 0.86 -0.00 -1.26 -3.03 117.38 109.21 1whb n GLN 144 Ca -0.02 0.38 -0.26 0.00 -0.00 0.00 0.00 57.00 57.10 1whb n GLN 144 Cb 0.66 -1.84 0.07 0.00 -0.00 0.00 0.00 30.24 29.13 1whb n GLN 144 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1whb n TYR 145 N -2.19 2.44 -3.87 2.61 9.36 -1.13 -4.90 117.16 119.49 1whb n TYR 145 Ca 0.03 -2.43 -0.10 0.00 3.32 0.00 0.00 57.90 58.71 1whb n TYR 145 Cb 0.25 -1.18 -0.09 0.00 -0.63 0.00 0.00 39.34 37.70 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1whb s THR 146 N -3.53 0.12 0.13 2.97 -4.23 -1.17 -3.28 115.64 106.65 1whb s THR 146 Ca 0.49 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1whb s THR 146 Cb 0.38 -0.92 -0.20 0.00 1.34 0.00 0.00 72.50 73.10 1whb s THR 146 CO 0.00 -0.53 1.29 0.71 -0.54 0.00 0.00 174.62 175.55 1whb h THR 147 N 3.50 1.61 -2.76 3.99 1.35 -1.76 -3.42 112.91 115.42 1whb h THR 147 Ca -0.32 -3.10 -0.57 0.00 -0.55 0.00 0.00 66.41 61.87 1whb h THR 147 Cb 1.19 2.75 -0.40 0.00 -1.73 0.00 0.00 68.15 69.96 1whb h THR 147 CO 0.49 0.89 -0.80 0.21 -0.25 0.00 0.00 175.52 176.06 1whb s ASN 148 N -6.85 3.36 -0.55 5.36 2.47 -1.25 -5.00 114.94 112.48 1whb s ASN 148 Ca -0.01 -1.84 0.03 0.00 0.42 0.00 0.00 52.86 51.46 1whb s ASN 148 Cb 0.10 -0.50 0.41 0.00 -1.45 0.00 0.00 41.25 39.80 1whb s ASN 148 CO 0.83 -0.36 1.40 0.00 -3.72 0.00 0.00 177.10 175.25 1whb n ALA 149 N 4.52 5.51 -2.32 1.71 0.00 -1.26 -4.38 120.51 124.29 1whb n ALA 149 Ca 0.04 -4.19 -0.18 0.00 0.00 0.00 0.00 53.44 49.11 1whb n ALA 149 Cb 0.39 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.90 1whb n ALA 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1whb n LYS 150 N -0.54 2.99 -0.05 0.00 4.81 -1.26 -4.77 118.16 119.34 1whb n LYS 150 Ca 0.45 -4.00 -0.10 0.00 -0.87 0.00 0.00 58.31 53.79 1whb n LYS 150 Cb 0.57 -2.05 -0.04 0.00 0.02 0.00 0.00 35.03 33.53 1whb n LYS 150 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1whb n VAL 151 N -0.62 0.59 -2.45 3.15 0.24 -1.26 -5.01 118.33 112.98 1whb n VAL 151 Ca 0.32 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.34 62.29 1whb n VAL 151 Cb 0.88 -1.31 -0.01 0.00 -1.47 0.00 0.00 33.84 31.94 1whb n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1whb n SER 152 N -3.19 -4.61 -0.66 -1.34 7.64 -1.26 -4.15 113.62 106.05 1whb n SER 152 Ca -0.20 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1whb n SER 152 Cb 0.67 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whb n GLY 153 N -0.89 -1.28 3.53 0.23 0.00 -1.26 -5.02 105.19 100.49 1whb n GLY 153 Ca -0.18 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1whb n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whb n PRO 154 N 0.27 0.74 -3.04 1.61 -0.02 -1.26 -4.92 135.00 128.38 1whb n PRO 154 Ca 0.00 0.28 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 1whb n PRO 154 Cb 0.00 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1whb n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whb s SER 155 N -1.12 6.20 0.51 2.55 0.15 -1.26 -5.04 113.70 115.69 1whb s SER 155 Ca 0.70 -1.35 -0.11 0.00 0.70 0.00 0.00 55.95 55.89 1whb s SER 155 Cb -0.47 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 1whb s SER 155 CO 0.53 -1.19 0.90 -0.44 1.20 0.00 0.00 173.24 174.24 1whb s SER 156 N 3.63 6.40 0.00 5.45 0.01 -1.26 -5.32 113.70 122.61 1whb s SER 156 Ca 0.15 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.68 1whb s SER 156 Cb -0.22 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1whb s SER 156 CO 0.07 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.70