#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb s SER 2 N 0.00 -0.19 0.27 1.61 0.15 -1.26 -5.15 113.70 109.13 1whb s SER 2 Ca 0.00 0.39 -0.22 0.00 0.70 0.00 0.00 55.95 56.82 1whb s SER 2 Cb 0.00 0.35 -0.09 0.00 -1.71 0.00 0.00 66.02 64.57 1whb s SER 2 CO 0.00 -0.10 0.82 -0.44 1.20 0.00 0.00 173.24 174.72 1whb s SER 3 N 0.47 7.14 0.00 5.45 0.01 -1.26 -4.54 113.70 120.97 1whb s SER 3 Ca -0.03 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1whb s SER 3 Cb -0.04 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1whb s SER 3 CO -0.02 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1whb n GLY 4 N 0.54 0.91 1.40 3.44 0.00 -1.26 -5.10 105.19 105.12 1whb n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1whb n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whb n SER 5 N 0.00 -7.59 -0.05 1.61 2.88 -1.26 -4.98 113.62 104.22 1whb n SER 5 Ca 0.00 1.46 -0.10 0.00 -1.33 0.00 0.00 58.87 58.90 1whb n SER 5 Cb 0.00 -4.31 -0.04 0.00 -0.75 0.00 0.00 64.21 59.11 1whb n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1whb n SER 6 N -1.92 1.58 0.00 -3.46 3.41 -1.26 -5.10 113.62 106.87 1whb n SER 6 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1whb n SER 6 Cb 0.27 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1whb n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 7 N 2.54 0.93 2.47 5.00 0.00 -1.26 -4.92 105.19 109.95 1whb n GLY 7 Ca -0.20 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 1whb n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whb n LYS 8 N 0.00 -2.07 0.05 1.61 4.76 -1.26 -4.87 118.16 116.38 1whb n LYS 8 Ca 0.00 1.00 -0.04 0.00 -2.87 0.00 0.00 58.31 56.40 1whb n LYS 8 Cb 0.00 -5.70 -0.08 0.00 -1.84 0.00 0.00 35.03 27.41 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1whb n GLU 10 N -3.16 -2.23 -3.85 0.00 1.02 -1.26 -5.07 120.64 106.10 1whb n GLU 10 Ca -0.05 2.00 -0.12 0.00 -0.02 0.00 0.00 57.16 58.97 1whb n GLU 10 Cb 0.90 -4.96 -0.10 0.00 -0.02 0.00 0.00 31.44 27.25 1whb n GLU 10 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1whb s THR 11 N -2.14 0.06 -0.17 2.62 -4.23 -1.26 -5.15 115.64 105.37 1whb s THR 11 Ca 0.16 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1whb s THR 11 Cb -0.05 -0.41 0.04 0.00 1.34 0.00 0.00 72.50 73.42 1whb s THR 11 CO 0.65 -0.28 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.81 1whb s LYS 12 N -1.04 1.91 0.06 3.99 3.01 -1.26 -5.10 119.74 121.31 1whb s LYS 12 Ca -0.11 -0.65 -0.31 0.00 -1.01 0.00 0.00 55.97 53.89 1whb s LYS 12 Cb -0.06 -2.18 -0.08 0.00 -1.01 0.00 0.00 37.83 34.50 1whb s LYS 12 CO 0.02 -0.37 1.73 -1.83 0.51 0.00 0.00 175.35 175.41 1whb s GLU 13 N 1.50 4.18 -1.15 1.68 1.03 -1.26 -4.93 118.70 119.75 1whb s GLU 13 Ca 0.01 2.41 -0.10 0.00 0.03 0.00 0.00 54.97 57.31 1whb s GLU 13 Cb -0.15 -3.72 0.25 0.00 -0.80 0.00 0.00 34.13 29.70 1whb s GLU 13 CO -0.09 -0.80 1.22 0.15 -1.33 0.00 0.00 175.26 174.41 1whb s LYS 14 N 3.09 4.18 0.00 -4.83 1.02 -1.26 -4.20 119.74 117.74 1whb s LYS 14 Ca 0.77 -3.04 0.00 0.00 0.02 0.00 0.00 55.97 53.72 1whb s LYS 14 Cb -0.41 -4.72 0.00 0.00 -0.52 0.00 0.00 37.83 32.19 1whb s LYS 14 CO 0.34 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 173.77 1whb n GLY 15 N 3.11 1.31 3.23 -3.33 0.00 -1.26 -4.94 105.19 103.32 1whb n GLY 15 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.96 -0.05 4.61 0.00 -1.26 -3.04 121.76 119.06 1whb s ALA 16 Ca 0.00 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 1whb s ALA 16 Cb 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1whb s ALA 16 CO 0.00 -0.25 0.16 -1.50 0.00 0.00 0.00 175.76 174.16 1whb s ILE 17 N 1.38 0.01 0.76 0.00 2.07 -0.68 -4.77 121.20 119.98 1whb s ILE 17 Ca -0.10 -0.11 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1whb s ILE 17 Cb -0.09 -0.27 0.09 0.00 0.13 0.00 0.00 42.46 42.33 1whb s ILE 17 CO -0.12 -0.06 1.09 0.42 -1.91 0.00 0.00 174.94 174.36 1whb s THR 18 N -0.15 2.17 0.21 4.00 -4.23 -1.26 -1.83 115.64 114.54 1whb s THR 18 Ca -0.02 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1whb s THR 18 Cb -0.02 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 1whb s THR 18 CO 0.00 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.59 1whb h ALA 19 N -0.84 0.74 -0.44 3.99 0.00 -1.96 -2.76 119.26 118.00 1whb h ALA 19 Ca -0.44 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 1whb h ALA 19 Cb 1.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1whb h ALA 19 CO 0.57 0.74 0.24 -0.22 0.00 0.00 0.00 179.25 180.58 1whb h LYS 20 N 0.24 0.61 -0.06 0.00 3.11 -2.01 -2.37 116.57 116.09 1whb h LYS 20 Ca -0.01 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.66 1whb h LYS 20 Cb 1.18 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 1whb h LYS 20 CO 0.11 0.48 -0.40 1.49 -2.81 0.00 0.00 179.45 178.32 1whb h GLU 21 N 0.57 0.13 -0.64 1.90 4.81 -1.95 -2.90 114.58 116.51 1whb h GLU 21 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1whb h GLU 21 Cb 0.05 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1whb h GLU 21 CO -0.03 0.52 0.31 1.25 -0.73 0.00 0.00 179.01 180.33 1whb h LEU 22 N 0.11 0.83 -0.83 1.64 5.85 -1.14 -2.13 115.31 119.64 1whb h LEU 22 Ca 0.01 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 1whb h LEU 22 Cb 0.76 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1whb h LEU 22 CO 0.06 0.72 -0.17 0.22 -0.34 0.00 0.00 178.44 178.93 1whb h TYR 23 N 0.88 0.76 -0.51 1.25 3.20 -1.29 0.30 116.97 121.55 1whb h TYR 23 Ca 0.22 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1whb h TYR 23 Cb 0.11 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1whb h TYR 23 CO 0.00 0.81 0.23 1.15 -1.64 0.00 0.00 178.16 178.71 1whb h THR 24 N 0.61 1.20 0.12 1.81 2.02 -1.27 -1.55 112.91 115.85 1whb h THR 24 Ca 0.10 -0.59 -0.27 0.00 0.77 0.00 0.00 66.41 66.41 1whb h THR 24 Cb 0.64 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1whb h THR 24 CO 0.04 0.23 -1.22 0.24 0.37 0.00 0.00 175.52 175.18 1whb h MET 25 N 0.68 0.30 -0.41 6.66 2.86 -1.26 -2.19 114.93 121.57 1whb h MET 25 Ca 0.17 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1whb h MET 25 Cb 0.15 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1whb h MET 25 CO -0.02 1.22 0.21 0.52 1.06 0.00 0.00 176.91 179.90 1whb h MET 26 N 0.09 0.56 0.00 1.72 2.07 -0.28 -2.37 114.93 116.73 1whb h MET 26 Ca -0.13 -0.05 -0.19 0.00 -2.07 0.00 0.00 59.70 57.25 1whb h MET 26 Cb 1.94 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 31.52 1whb h MET 26 CO 0.20 0.42 -1.33 1.79 1.07 0.00 0.00 176.91 179.06 1whb h THR 27 N 0.57 0.70 -2.98 2.22 1.35 -1.33 -3.47 112.91 109.97 1whb h THR 27 Ca 0.15 -2.27 -0.57 0.00 -0.55 0.00 0.00 66.41 63.17 1whb h THR 27 Cb 0.03 2.22 0.09 0.00 -1.73 0.00 0.00 68.15 68.76 1whb h THR 27 CO -0.02 0.40 0.68 -0.67 -0.25 0.00 0.00 175.52 175.65 1whb n ASP 28 N -3.00 3.10 -1.90 5.36 2.03 -0.83 -4.90 116.55 116.42 1whb n ASP 28 Ca -0.09 1.16 -0.19 0.00 0.52 0.00 0.00 54.79 56.18 1whb n ASP 28 Cb 0.88 -1.49 0.17 0.00 -0.72 0.00 0.00 41.12 39.96 1whb n ASP 28 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1whb n LYS 29 N 1.80 2.21 0.00 -0.67 4.81 -1.26 -4.47 118.16 120.58 1whb n LYS 29 Ca 0.09 -3.14 0.00 0.00 -0.87 0.00 0.00 58.31 54.39 1whb n LYS 29 Cb 0.34 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1whb n LYS 29 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1whb n ASN 30 N -1.10 0.39 -4.64 3.14 3.02 -1.26 -5.05 115.26 109.76 1whb n ASN 30 Ca 0.51 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.69 1whb n ASN 30 Cb 1.34 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.41 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1whb s ILE 31 N -1.89 5.33 0.47 2.41 1.01 -1.26 -5.08 121.20 122.19 1whb s ILE 31 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.69 1whb s ILE 31 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 1whb s ILE 31 CO 0.00 0.31 0.98 -0.44 0.00 0.00 0.00 174.94 175.78 1whb s SER 32 N 1.26 6.71 -0.22 3.58 0.01 -1.26 -4.84 113.70 118.94 1whb s SER 32 Ca 0.08 1.67 -0.18 0.00 1.31 0.00 0.00 55.95 58.84 1whb s SER 32 Cb -0.14 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1whb s SER 32 CO 0.07 -0.52 0.57 -0.22 0.41 0.00 0.00 173.24 173.55 1whb s LEU 33 N -3.60 -0.31 0.08 2.44 2.96 -1.26 -2.78 118.68 116.21 1whb s LEU 33 Ca 0.61 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.79 1whb s LEU 33 Cb -0.10 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 1whb s LEU 33 CO 0.22 -0.21 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.18 1whb s ILE 34 N 0.68 1.90 0.12 6.68 1.01 -1.24 -5.01 121.20 125.33 1whb s ILE 34 Ca -0.03 -1.48 0.10 0.00 0.00 0.00 0.00 60.65 59.25 1whb s ILE 34 Cb -0.05 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1whb s ILE 34 CO -0.04 0.12 -0.25 -0.63 0.00 0.00 0.00 174.94 174.14 1whb s ILE 35 N -0.98 2.41 0.00 2.92 1.01 -1.26 -0.84 121.20 124.46 1whb s ILE 35 Ca 0.09 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 59.09 1whb s ILE 35 Cb -0.10 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1whb s ILE 35 CO 0.04 0.11 -0.06 -0.04 0.00 0.00 0.00 174.94 174.98 1whb s MET 36 N -2.04 0.49 -0.57 2.79 -1.94 -0.88 0.11 119.30 117.26 1whb s MET 36 Ca 0.15 -0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 53.69 1whb s MET 36 Cb -0.10 -0.45 0.13 0.00 2.01 0.00 0.00 34.83 36.42 1whb s MET 36 CO 0.07 0.12 0.55 -0.51 -0.01 0.00 0.00 175.02 175.24 1whb s ASP 37 N -0.29 6.22 -1.30 3.03 1.11 -1.04 0.28 116.67 124.68 1whb s ASP 37 Ca 0.01 -1.77 -0.10 0.00 0.18 0.00 0.00 52.55 50.87 1whb s ASP 37 Cb -0.03 -2.23 -0.06 0.00 1.07 0.00 0.00 42.92 41.67 1whb s ASP 37 CO -0.00 -0.90 2.48 0.00 1.18 0.00 0.00 175.17 177.94 1whb n ALA 38 N 5.40 5.96 -3.19 5.23 0.00 -1.21 -3.27 120.51 129.42 1whb n ALA 38 Ca -0.12 -3.09 -0.03 0.00 0.00 0.00 0.00 53.44 50.20 1whb n ALA 38 Cb 0.41 -3.31 -0.01 0.00 0.00 0.00 0.00 19.45 16.54 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 4.51 0.08 -0.78 0.00 3.00 -1.23 -4.82 116.66 117.42 1whb n ARG 39 Ca 0.61 -0.52 -0.30 0.00 -0.01 0.00 0.00 57.85 57.63 1whb n ARG 39 Cb 0.24 0.44 0.26 0.00 0.00 0.00 0.00 32.46 33.40 1whb n ARG 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1whb s ARG 40 N -2.19 -1.83 0.05 5.56 3.52 -1.26 -0.88 118.95 121.91 1whb s ARG 40 Ca 0.06 0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 55.59 1whb s ARG 40 Cb 0.00 -1.51 -0.29 0.00 -1.56 0.00 0.00 34.95 31.59 1whb s ARG 40 CO 0.04 -4.14 1.10 1.98 -0.81 0.00 0.00 175.30 173.47 1whb h MET 41 N -2.89 0.63 0.00 5.12 -1.53 -1.94 -3.25 114.93 111.06 1whb h MET 41 Ca -0.46 -0.83 -0.06 0.00 -3.44 0.00 0.00 59.70 54.91 1whb h MET 41 Cb 1.31 0.28 -0.01 0.00 -0.55 0.00 0.00 31.60 32.63 1whb h MET 41 CO 0.34 1.38 -0.26 0.37 0.14 0.00 0.00 176.91 178.87 1whb h GLN 42 N 0.26 0.00 -0.78 0.39 -0.00 -2.00 -2.82 115.11 110.17 1whb h GLN 42 Ca -0.19 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.50 1whb h GLN 42 Cb 1.91 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 29.34 1whb h GLN 42 CO 0.24 0.26 0.49 0.22 0.00 0.00 0.00 178.83 180.04 1whb h ASP 43 N 0.00 0.80 -0.03 -0.69 1.82 -1.89 0.19 116.42 116.61 1whb h ASP 43 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1whb h ASP 43 Cb 0.50 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1whb h ASP 43 CO 0.03 0.54 0.01 0.22 -1.61 0.00 0.00 179.24 178.44 1whb h TYR 44 N 0.94 0.02 -0.46 0.28 3.20 -1.60 0.55 116.97 119.90 1whb h TYR 44 Ca 0.32 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 1whb h TYR 44 Cb 0.04 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1whb h TYR 44 CO -0.03 0.01 -0.08 1.96 -1.64 0.00 0.00 178.16 178.37 1whb h GLN 45 N 0.03 0.82 -0.15 1.82 4.20 -1.52 -3.12 115.11 117.19 1whb h GLN 45 Ca 0.01 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 1whb h GLN 45 Cb 0.01 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1whb h GLN 45 CO -0.02 0.87 -0.13 0.22 -0.67 0.00 0.00 178.83 179.11 1whb h ASP 46 N 0.74 0.38 -3.90 1.46 1.82 -0.32 -3.46 116.42 113.14 1whb h ASP 46 Ca 0.13 -0.46 -0.06 0.00 -0.39 0.00 0.00 57.03 56.25 1whb h ASP 46 Cb 0.57 -0.11 -0.22 0.00 0.68 0.00 0.00 39.33 40.25 1whb h ASP 46 CO 0.03 0.76 0.03 -0.94 -1.61 0.00 0.00 179.24 177.52 1whb s SER 47 N -6.10 -0.68 -0.18 2.28 1.04 0.19 -4.79 113.70 105.46 1whb s SER 47 Ca -0.14 1.30 -0.33 0.00 0.48 0.00 0.00 55.95 57.26 1whb s SER 47 Cb 0.05 1.31 0.14 0.00 0.10 0.00 0.00 66.02 67.62 1whb s SER 47 CO 0.75 -0.22 1.17 0.00 0.98 0.00 0.00 173.24 175.92 1whb s ILE 49 N -2.18 3.57 0.00 0.00 1.01 -1.26 -1.30 121.20 121.03 1whb s ILE 49 Ca 0.08 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1whb s ILE 49 Cb -0.01 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1whb s ILE 49 CO -0.05 -0.54 0.69 0.18 0.00 0.00 0.00 174.94 175.22 1whb n LEU 50 N -2.68 0.02 -4.47 2.97 4.77 -1.22 -4.25 117.00 112.14 1whb n LEU 50 Ca 0.09 0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 56.33 1whb n LEU 50 Cb 0.53 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1whb n LEU 50 CO 0.50 -0.20 1.03 -1.00 -1.33 0.00 0.00 177.39 176.40 1whb s HIS 51 N -1.78 2.93 0.26 -1.77 3.76 -1.26 -4.93 115.29 112.50 1whb s HIS 51 Ca 0.00 -1.14 -0.20 0.00 -0.15 0.00 0.00 55.06 53.57 1whb s HIS 51 Cb 0.00 -4.36 0.06 0.00 1.11 0.00 0.00 32.58 29.39 1whb s HIS 51 CO 0.00 -1.60 0.91 -1.54 -0.85 0.00 0.00 174.74 171.65 1whb s SER 52 N 3.88 -0.05 0.33 1.40 1.04 -1.26 -4.73 113.70 114.31 1whb s SER 52 Ca 0.33 -0.80 0.08 0.00 0.48 0.00 0.00 55.95 56.04 1whb s SER 52 Cb -0.06 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1whb s SER 52 CO -0.06 -1.27 0.17 -0.22 0.98 0.00 0.00 173.24 172.84 1whb s LEU 53 N -3.17 3.35 -0.05 2.42 2.96 0.30 -4.91 118.68 119.59 1whb s LEU 53 Ca 0.17 -0.68 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 1whb s LEU 53 Cb -0.04 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 1whb s LEU 53 CO 0.07 -0.28 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.07 1whb s SER 54 N -3.87 2.46 -0.15 3.68 0.15 -1.26 -2.49 113.70 112.22 1whb s SER 54 Ca 0.38 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 1whb s SER 54 Cb -0.04 -0.72 0.07 0.00 -1.71 0.00 0.00 66.02 63.62 1whb s SER 54 CO 0.23 0.18 0.19 0.54 1.20 0.00 0.00 173.24 175.58 1whb s VAL 55 N 0.02 -0.28 0.54 4.45 0.11 -1.20 -4.58 120.40 119.45 1whb s VAL 55 Ca -0.05 0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.86 1whb s VAL 55 Cb -0.13 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1whb s VAL 55 CO 0.03 -0.07 1.24 -2.16 -3.33 0.00 0.00 175.10 170.80 1whb s PRO 56 N 2.30 3.26 0.42 1.54 0.04 -1.25 -3.51 135.00 137.80 1whb s PRO 56 Ca 0.05 1.93 0.13 0.00 0.04 0.00 0.00 61.00 63.14 1whb s PRO 56 Cb -0.14 -2.17 0.89 0.00 0.04 0.00 0.00 34.50 33.12 1whb s PRO 56 CO -0.09 -1.00 1.94 1.49 0.04 0.00 0.00 177.00 179.37 1whb h GLU 57 N 1.40 0.06 -0.64 4.56 4.81 -1.29 -2.43 114.58 121.05 1whb h GLU 57 Ca -0.50 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1whb h GLU 57 Cb 1.28 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1whb h GLU 57 CO 0.57 0.27 0.42 0.93 -0.73 0.00 0.00 179.01 180.48 1whb h GLU 58 N 0.05 0.72 0.00 1.92 4.39 -1.91 -1.50 114.58 118.26 1whb h GLU 58 Ca 0.01 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1whb h GLU 58 Cb 0.40 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1whb h GLU 58 CO 0.03 0.48 -0.84 0.00 -1.16 0.00 0.00 179.01 177.52 1whb h ALA 59 N 1.63 0.61 -2.49 3.43 0.00 -1.70 -3.42 119.26 117.30 1whb h ALA 59 Ca 0.26 -0.74 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 1whb h ALA 59 Cb 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.64 1whb h ALA 59 CO -0.07 1.00 -0.01 0.42 0.00 0.00 0.00 179.25 180.59 1whb s ILE 60 N -3.15 5.02 0.07 0.00 1.01 -0.57 -3.94 121.20 119.66 1whb s ILE 60 Ca -0.01 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.30 1whb s ILE 60 Cb 0.11 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1whb s ILE 60 CO 0.80 -0.09 -0.10 -0.55 0.00 0.00 0.00 174.94 175.01 1whb s SER 61 N 1.67 1.24 -0.29 3.58 0.15 -1.26 -4.84 113.70 113.95 1whb s SER 61 Ca 0.21 -0.71 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 1whb s SER 61 Cb -0.15 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1whb s SER 61 CO 0.12 -0.24 1.77 -2.16 1.20 0.00 0.00 173.24 173.93 1whb s PRO 62 N -2.32 3.47 0.00 5.44 0.04 -1.26 -3.29 135.00 137.08 1whb s PRO 62 Ca -0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1whb s PRO 62 Cb -0.06 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1whb s PRO 62 CO -0.00 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.75 1whb n GLY 63 N 5.23 0.48 3.50 0.56 0.00 -1.26 -5.06 105.19 108.65 1whb n GLY 63 Ca 0.22 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1whb n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1whb n VAL 64 N -0.50 0.00 -4.60 1.61 0.24 -1.21 -5.16 118.33 108.71 1whb n VAL 64 Ca 0.00 -2.35 -0.31 0.00 -2.04 0.00 0.00 64.34 59.63 1whb n VAL 64 Cb 0.25 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 1whb n VAL 64 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1whb n THR 65 N -1.15 0.00 0.03 3.34 -2.24 -1.26 -4.50 114.28 108.50 1whb n THR 65 Ca -0.17 -2.35 -0.04 0.00 -2.27 0.00 0.00 64.05 59.23 1whb n THR 65 Cb 0.62 0.39 0.19 0.00 -2.10 0.00 0.00 70.33 69.44 1whb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1whb h ALA 66 N 1.16 1.06 -0.13 6.98 0.00 -1.74 -2.77 119.26 123.82 1whb h ALA 66 Ca -0.41 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 1whb h ALA 66 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1whb h ALA 66 CO 0.67 0.58 -0.09 0.77 0.00 0.00 0.00 179.25 181.18 1whb h SER 67 N 0.37 0.18 0.86 0.00 0.02 -1.95 -0.85 113.55 112.19 1whb h SER 67 Ca 0.05 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1whb h SER 67 Cb 0.74 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.25 1whb h SER 67 CO 0.06 0.30 -0.41 -0.25 -1.14 0.00 0.00 176.83 175.38 1whb h TRP 68 N 0.19 -1.08 -0.38 3.45 2.91 -1.85 -2.05 115.95 117.15 1whb h TRP 68 Ca 0.04 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 1whb h TRP 68 Cb 0.28 0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 1whb h TRP 68 CO 0.00 -0.67 0.05 0.82 -1.03 0.00 0.00 178.44 177.61 1whb h ILE 69 N -1.18 1.19 -0.09 2.65 2.04 -1.59 -2.13 117.51 118.40 1whb h ILE 69 Ca -0.12 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1whb h ILE 69 Cb 0.89 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1whb h ILE 69 CO 0.19 0.26 0.06 -0.08 0.00 0.00 0.00 178.15 178.58 1whb h GLU 70 N 0.55 0.04 0.01 2.37 4.81 -1.05 -1.25 114.58 120.06 1whb h GLU 70 Ca 0.12 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.15 1whb h GLU 70 Cb 0.28 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1whb h GLU 70 CO 0.00 0.03 -0.92 0.00 -0.73 0.00 0.00 179.01 177.39 1whb h ALA 71 N 1.95 0.48 -3.24 2.92 0.00 -0.68 -3.40 119.26 117.30 1whb h ALA 71 Ca 0.04 -0.81 -0.68 0.00 0.00 0.00 0.00 54.91 53.46 1whb h ALA 71 Cb 0.10 -0.12 -0.37 0.00 0.00 0.00 0.00 17.79 17.41 1whb h ALA 71 CO -0.00 1.08 -0.48 -1.01 0.00 0.00 0.00 179.25 178.83 1whb s HIS 72 N -2.96 3.43 0.14 0.00 3.76 -0.47 -5.05 115.29 114.13 1whb s HIS 72 Ca -0.00 -2.76 -0.19 0.00 -0.15 0.00 0.00 55.06 51.95 1whb s HIS 72 Cb 0.10 -3.11 0.05 0.00 1.11 0.00 0.00 32.58 30.73 1whb s HIS 72 CO 0.82 -0.86 0.48 -0.51 -0.85 0.00 0.00 174.74 173.82 1whb s LEU 73 N 0.23 0.01 0.00 0.89 1.43 -1.25 -4.65 118.68 115.34 1whb s LEU 73 Ca 0.15 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1whb s LEU 73 Cb -0.22 2.14 0.00 0.00 0.03 0.00 0.00 46.19 48.15 1whb s LEU 73 CO -0.03 -0.90 0.00 -2.65 0.23 0.00 0.00 176.35 173.00 1whb n PRO 74 N -0.27 0.83 -0.03 1.29 -0.02 -1.26 -4.89 135.00 130.65 1whb n PRO 74 Ca -0.16 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 1whb n PRO 74 Cb 0.64 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.11 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 -0.44 0.79 0.12 2.55 9.92 -1.26 -4.13 116.55 124.10 1whb n ASP 75 Ca 0.00 0.42 -0.02 0.00 -0.53 0.00 0.00 54.79 54.66 1whb n ASP 75 Cb 0.00 -0.66 0.19 0.00 -0.64 0.00 0.00 41.12 40.00 1whb n ASP 75 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1whb h ASP 76 N -0.44 0.11 -0.13 -2.24 5.19 -2.01 -2.95 116.42 113.96 1whb h ASP 76 Ca 0.00 -0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1whb h ASP 76 Cb 0.22 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1whb h ASP 76 CO 0.00 0.65 0.11 -1.28 -3.12 0.00 0.00 179.24 175.60 1whb h SER 77 N 0.08 0.00 -0.23 6.45 0.87 -1.91 -0.95 113.55 117.85 1whb h SER 77 Ca -0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1whb h SER 77 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1whb h SER 77 CO 0.08 0.00 0.17 0.11 -0.53 0.00 0.00 176.83 176.66 1whb h LYS 78 N 0.00 0.00 0.23 2.24 1.79 -1.67 -0.75 116.57 118.41 1whb h LYS 78 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1whb h LYS 78 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1whb h LYS 78 CO -0.00 0.00 -0.11 0.22 -1.08 0.00 0.00 179.45 178.48 1whb h ASP 79 N 0.00 -0.26 -0.02 0.86 1.82 -1.36 -3.18 116.42 114.29 1whb h ASP 79 Ca 0.11 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1whb h ASP 79 Cb 0.45 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 1whb h ASP 79 CO -0.00 0.24 0.01 0.74 -1.61 0.00 0.00 179.24 178.63 1whb h THR 80 N -0.90 0.95 -0.19 2.25 2.02 -1.56 -2.08 112.91 113.39 1whb h THR 80 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1whb h THR 80 Cb 0.50 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1whb h THR 80 CO 0.05 0.00 0.08 -0.25 0.37 0.00 0.00 175.52 175.77 1whb h TRP 81 N 0.00 0.15 0.00 3.16 2.91 -1.16 -2.27 115.95 118.74 1whb h TRP 81 Ca 0.01 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.93 1whb h TRP 81 Cb 0.03 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 1whb h TRP 81 CO 0.00 0.08 -0.51 0.87 -1.03 0.00 0.00 178.44 177.85 1whb h LYS 82 N 0.18 0.00 0.00 2.65 1.57 -1.41 -2.84 116.57 116.72 1whb h LYS 82 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1whb h LYS 82 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1whb h LYS 82 CO -0.07 0.51 0.00 1.63 -0.57 0.00 0.00 179.45 180.95 1whb n LYS 83 N -3.63 0.05 -0.30 3.15 5.02 -0.83 -3.17 118.16 118.45 1whb n LYS 83 Ca -0.01 0.30 0.16 0.00 -2.02 0.00 0.00 58.31 56.74 1whb n LYS 83 Cb 0.58 -1.60 0.41 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.00 0.58 0.00 1.97 0.11 -1.20 0.39 114.38 116.24 1whb h ARG 84 Ca 0.00 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 1whb h ARG 84 Cb 0.27 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 1whb h ARG 84 CO 0.00 0.39 -0.02 0.78 0.10 0.00 0.00 179.97 181.22 1whb h GLY 85 N 0.60 0.00 0.60 0.08 0.00 -1.80 -3.22 103.07 99.33 1whb h GLY 85 Ca 0.52 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.68 1whb h GLY 85 CO -0.27 0.00 -0.79 3.43 0.00 0.00 0.00 176.54 178.91 1whb h ASN 86 N 0.00 0.41 -3.00 0.19 4.21 -0.47 -3.47 115.58 113.45 1whb h ASN 86 Ca -0.00 -0.95 -0.36 0.00 1.21 0.00 0.00 56.30 56.21 1whb h ASN 86 Cb 0.69 -0.13 0.20 0.00 -1.12 0.00 0.00 38.32 37.96 1whb h ASN 86 CO 0.00 1.37 -0.07 1.33 -1.29 0.00 0.00 177.43 178.78 1whb n VAL 87 N -4.16 0.00 0.00 2.81 0.24 -0.71 -5.04 118.33 111.48 1whb n VAL 87 Ca -0.15 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1whb n VAL 87 Cb 0.79 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 1whb n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1whb n GLU 88 N -5.32 0.00 -2.06 7.34 4.71 -1.23 -4.80 120.64 119.28 1whb n GLU 88 Ca 0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 57.01 1whb n GLU 88 Cb 0.57 -0.04 0.07 0.00 -1.01 0.00 0.00 31.44 31.02 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1whb s TYR 89 N -0.12 3.04 0.04 -0.32 1.51 -1.12 -3.92 117.35 116.45 1whb s TYR 89 Ca 0.00 0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1whb s TYR 89 Cb 0.00 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 1whb s TYR 89 CO 0.00 -1.43 -0.03 0.08 -1.11 0.00 0.00 175.55 173.06 1whb s VAL 90 N -3.35 0.17 0.01 0.71 1.01 -1.26 -3.74 120.40 113.95 1whb s VAL 90 Ca 0.60 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1whb s VAL 90 Cb -0.11 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1whb s VAL 90 CO 0.48 -0.75 0.26 -0.69 0.00 0.00 0.00 175.10 174.39 1whb s VAL 91 N -2.69 0.08 0.43 2.92 1.01 -0.02 -2.18 120.40 119.94 1whb s VAL 91 Ca -0.04 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1whb s VAL 91 Cb -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1whb s VAL 91 CO -0.05 -0.35 0.07 -0.76 0.00 0.00 0.00 175.10 174.00 1whb s LEU 92 N -1.66 2.20 0.32 3.92 1.43 0.93 -2.07 118.68 123.74 1whb s LEU 92 Ca -0.10 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 51.45 1whb s LEU 92 Cb -0.04 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 1whb s LEU 92 CO 0.01 -0.81 0.19 -0.76 0.23 0.00 0.00 176.35 175.20 1whb s LEU 93 N -3.68 1.69 0.00 1.79 1.43 0.14 -2.31 118.68 117.73 1whb s LEU 93 Ca 0.21 -1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 51.40 1whb s LEU 93 Cb 0.04 0.28 0.10 0.00 0.03 0.00 0.00 46.19 46.64 1whb s LEU 93 CO 0.11 -0.94 1.31 -0.90 0.23 0.00 0.00 176.35 176.16 1whb n ASP 94 N -1.11 -1.14 -0.10 2.29 5.75 -1.26 -3.35 116.55 117.63 1whb n ASP 94 Ca 0.02 -1.17 -0.18 0.00 -0.01 0.00 0.00 54.79 53.45 1whb n ASP 94 Cb 0.64 1.74 -0.07 0.00 -1.03 0.00 0.00 41.12 42.40 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 -0.95 0.58 -2.98 2.11 5.03 -1.26 0.11 117.44 120.08 1whb n TRP 95 Ca 0.05 0.25 -0.15 0.00 3.03 0.00 0.00 57.50 60.69 1whb n TRP 95 Cb 0.58 -0.91 -0.02 0.00 -1.03 0.00 0.00 31.31 29.94 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 -4.43 -2.23 -3.15 -5.99 3.72 -1.25 -4.27 117.46 99.85 1whb n PHE 96 Ca -0.29 -2.43 0.05 0.00 -0.05 0.00 0.00 57.45 54.73 1whb n PHE 96 Cb 0.61 0.80 -0.01 0.00 -0.94 0.00 0.00 39.48 39.94 1whb n PHE 96 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1whb s SER 97 N -0.72 -0.66 0.78 4.37 0.15 -1.26 -5.09 113.70 111.27 1whb s SER 97 Ca 0.33 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.36 1whb s SER 97 Cb 0.13 1.55 0.16 0.00 -1.71 0.00 0.00 66.02 66.15 1whb s SER 97 CO -0.16 -0.12 1.06 -1.20 1.20 0.00 0.00 173.24 174.02 1whb n SER 98 N 5.46 1.25 0.16 5.45 7.64 -1.26 -4.67 113.62 127.65 1whb n SER 98 Ca -0.05 -2.10 0.17 0.00 1.01 0.00 0.00 58.87 57.90 1whb n SER 98 Cb 0.53 -0.71 0.77 0.00 -1.01 0.00 0.00 64.21 63.80 1whb n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whb h ALA 99 N -0.74 2.00 0.00 -0.43 0.00 -1.83 0.75 119.26 119.00 1whb h ALA 99 Ca -0.35 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1whb h ALA 99 Cb 1.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1whb h ALA 99 CO 0.36 -0.35 -0.80 0.87 0.00 0.00 0.00 179.25 179.33 1whb h LYS 100 N 0.00 0.00 -0.69 0.00 6.56 -1.93 -3.24 116.57 117.27 1whb h LYS 100 Ca 0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 1whb h LYS 100 Cb 0.57 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1whb h LYS 100 CO -0.00 0.61 0.01 -0.25 -2.06 0.00 0.00 179.45 177.75 1whb n ASP 101 N -3.21 4.53 -4.17 0.86 8.00 0.23 -4.77 116.55 118.03 1whb n ASP 101 Ca -0.01 -2.71 -0.43 0.00 0.71 0.00 0.00 54.79 52.36 1whb n ASP 101 Cb 0.81 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1whb n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1whb n LEU 102 N 0.44 5.88 -4.83 0.64 4.77 -1.02 -4.71 117.00 118.18 1whb n LEU 102 Ca 0.21 -4.07 -0.31 0.00 -0.03 0.00 0.00 56.01 51.82 1whb n LEU 102 Cb 0.97 -1.69 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1whb n LEU 102 CO 0.25 0.65 0.71 -1.10 -1.33 0.00 0.00 177.39 176.57 1whb s GLN 103 N 3.52 3.03 0.06 3.23 -0.21 -1.26 -4.88 119.66 123.15 1whb s GLN 103 Ca 0.50 0.91 -0.30 0.00 0.02 0.00 0.00 55.36 56.49 1whb s GLN 103 Cb 0.08 -2.00 -0.09 0.00 1.00 0.00 0.00 33.01 32.00 1whb s GLN 103 CO -0.00 -1.02 1.93 0.96 -2.12 0.00 0.00 175.29 175.03 1whb s ILE 104 N -3.07 2.88 0.00 1.08 -4.36 -1.26 -2.87 121.20 113.59 1whb s ILE 104 Ca 0.58 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 61.00 1whb s ILE 104 Cb -0.13 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.55 1whb s ILE 104 CO 0.55 -0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.34 1whb n GLY 105 N 4.45 1.79 3.58 6.27 0.00 -1.26 -5.12 105.19 114.90 1whb n GLY 105 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 3.28 0.34 2.61 -4.23 -1.14 -4.93 115.64 109.58 1whb s THR 106 Ca 0.00 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1whb s THR 106 Cb 0.00 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.32 1whb s THR 106 CO 0.00 -0.01 1.77 0.71 -0.54 0.00 0.00 174.62 176.55 1whb h THR 107 N 2.98 1.30 -0.06 3.99 1.35 -1.88 0.13 112.91 120.72 1whb h THR 107 Ca -0.48 -1.44 -0.22 0.00 -0.55 0.00 0.00 66.41 63.72 1whb h THR 107 Cb 1.19 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 69.36 1whb h THR 107 CO 0.53 0.42 -0.82 -0.07 -0.25 0.00 0.00 175.52 175.33 1whb h LEU 108 N 0.06 0.83 0.02 3.87 3.38 -1.90 -1.87 115.31 119.69 1whb h LEU 108 Ca 0.00 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.28 1whb h LEU 108 Cb 0.75 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1whb h LEU 108 CO 0.06 1.40 -0.01 -0.09 0.09 0.00 0.00 178.44 179.89 1whb h ARG 109 N 0.33 -0.02 -0.81 1.13 2.43 -1.85 -2.36 114.38 113.23 1whb h ARG 109 Ca -0.08 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1whb h ARG 109 Cb 1.47 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.99 1whb h ARG 109 CO 0.16 0.69 0.54 0.66 -1.51 0.00 0.00 179.97 180.51 1whb h SER 110 N -0.77 0.92 0.49 -3.80 4.64 -0.86 -1.59 113.55 112.58 1whb h SER 110 Ca -0.00 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1whb h SER 110 Cb 0.72 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1whb h SER 110 CO 0.00 0.67 -0.53 0.25 -0.87 0.00 0.00 176.83 176.34 1whb h LEU 111 N 1.09 0.06 -1.28 5.97 5.85 -1.41 -1.46 115.31 124.13 1whb h LEU 111 Ca 0.30 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1whb h LEU 111 Cb -0.11 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1whb h LEU 111 CO -0.07 0.58 -0.31 0.50 -0.34 0.00 0.00 178.44 178.80 1whb h LYS 112 N 0.04 0.07 0.00 1.25 3.64 -0.73 -2.65 116.57 118.19 1whb h LYS 112 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1whb h LYS 112 Cb 0.96 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1whb h LYS 112 CO 0.07 0.38 -0.94 -0.40 -2.27 0.00 0.00 179.45 176.30 1whb n ASP 113 N -4.14 0.69 -1.48 4.20 5.68 -1.03 -3.85 116.55 116.61 1whb n ASP 113 Ca -0.02 -0.47 0.05 0.00 -0.50 0.00 0.00 54.79 53.85 1whb n ASP 113 Cb 0.37 0.79 0.28 0.00 -1.14 0.00 0.00 41.12 41.43 1whb n ASP 113 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1whb n ALA 114 N -1.66 3.48 0.00 2.12 0.00 -0.57 0.14 120.51 124.02 1whb n ALA 114 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1whb n ALA 114 Cb 0.38 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.43 0.39 -0.10 0.00 4.77 -1.21 -3.60 117.00 117.68 1whb n LEU 115 Ca 0.20 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1whb n LEU 115 Cb 0.92 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.94 1whb n LEU 115 CO 0.23 -0.13 -1.16 0.33 -1.33 0.00 0.00 177.39 175.33 1whb n PHE 116 N -2.31 0.00 0.12 -1.77 -0.00 -1.25 -4.67 117.46 107.58 1whb n PHE 116 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1whb n PHE 116 Cb 0.16 -0.68 -0.07 0.00 -0.00 0.00 0.00 39.48 38.88 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1whb h LYS 117 N -0.68 -0.25 -4.38 -4.13 3.11 -1.72 -3.38 116.57 105.14 1whb h LYS 117 Ca -0.49 0.02 -0.72 0.00 -2.81 0.00 0.00 60.65 56.65 1whb h LYS 117 Cb 1.43 0.06 -0.27 0.00 -1.00 0.00 0.00 32.23 32.45 1whb h LYS 117 CO -0.29 -0.16 -0.42 -1.58 -2.81 0.00 0.00 179.45 174.19 1whb s TRP 118 N -6.15 3.32 0.00 1.91 0.23 0.12 -5.01 118.94 113.37 1whb s TRP 118 Ca -0.14 -1.41 -0.02 0.00 -2.03 0.00 0.00 56.10 52.49 1whb s TRP 118 Cb 0.06 -3.10 0.01 0.00 0.03 0.00 0.00 33.47 30.46 1whb s TRP 118 CO 0.65 -0.86 0.09 0.39 0.96 0.00 0.00 176.95 178.18 1whb n GLU 119 N 5.00 0.02 0.00 4.98 -0.58 -1.26 -4.05 120.64 124.74 1whb n GLU 119 Ca -0.11 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1whb n GLU 119 Cb 0.43 0.10 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1whb n GLU 119 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1whb n SER 120 N -0.29 0.00 -0.00 1.62 7.64 -1.26 -5.03 113.62 116.29 1whb n SER 120 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1whb n SER 120 Cb 0.04 0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1whb n SER 120 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1whb h LYS 121 N 0.00 0.00 -6.09 1.43 3.64 -1.99 -3.46 116.57 110.09 1whb h LYS 121 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 1whb h LYS 121 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1whb h LYS 121 CO 0.00 0.00 0.02 0.99 -2.27 0.00 0.00 179.45 178.19 1whb s THR 122 N -1.06 4.92 -0.13 1.00 2.01 -1.26 -5.06 115.64 116.06 1whb s THR 122 Ca -0.01 1.31 -0.11 0.00 0.31 0.00 0.00 61.69 63.20 1whb s THR 122 Cb 0.00 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1whb s THR 122 CO 0.01 0.38 0.34 -0.69 -0.69 0.00 0.00 174.62 173.97 1whb s VAL 123 N 0.00 -0.01 0.74 3.82 1.01 -1.26 -4.89 120.40 119.81 1whb s VAL 123 Ca 0.33 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1whb s VAL 123 Cb -0.18 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.79 1whb s VAL 123 CO 0.18 0.01 1.07 -0.76 0.00 0.00 0.00 175.10 175.60 1whb s LEU 124 N 0.37 2.72 0.04 3.92 1.43 -1.26 -4.83 118.68 121.08 1whb s LEU 124 Ca -0.02 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1whb s LEU 124 Cb -0.03 -3.11 -0.27 0.00 0.03 0.00 0.00 46.19 42.80 1whb s LEU 124 CO -0.01 -1.72 1.01 0.08 0.23 0.00 0.00 176.35 175.94 1whb h ARG 125 N -0.76 0.21 -5.19 1.70 0.11 -1.87 -3.47 114.38 105.11 1whb h ARG 125 Ca -0.45 -0.36 -0.56 0.00 0.10 0.00 0.00 59.98 58.72 1whb h ARG 125 Cb 1.32 0.13 -0.13 0.00 1.11 0.00 0.00 29.97 32.40 1whb h ARG 125 CO 0.61 1.10 -0.55 -0.80 0.10 0.00 0.00 179.97 180.43 1whb s ASN 126 N -6.95 3.02 0.26 0.08 0.01 -1.26 -5.12 114.94 104.97 1whb s ASN 126 Ca -0.05 -1.55 -0.29 0.00 -0.71 0.00 0.00 52.86 50.26 1whb s ASN 126 Cb 0.07 0.24 -0.09 0.00 0.41 0.00 0.00 41.25 41.88 1whb s ASN 126 CO 0.86 -0.77 0.94 -1.61 -1.51 0.00 0.00 177.10 175.01 1whb s GLU 127 N -3.80 4.80 -0.13 -0.60 8.01 -1.26 -4.88 118.70 120.83 1whb s GLU 127 Ca 0.25 1.45 -0.36 0.00 0.01 0.00 0.00 54.97 56.33 1whb s GLU 127 Cb 0.05 -3.18 -0.13 0.00 -4.31 0.00 0.00 34.13 26.56 1whb s GLU 127 CO 0.13 0.47 1.81 -2.30 0.01 0.00 0.00 175.26 175.38 1whb n PRO 128 N 1.29 1.83 -3.02 0.39 -0.02 -1.26 -4.43 135.00 129.78 1whb n PRO 128 Ca -0.01 0.67 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1whb n PRO 128 Cb 0.48 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 3.68 3.71 -0.03 2.45 1.43 -0.93 -4.35 118.68 124.65 1whb s LEU 129 Ca 0.94 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 1whb s LEU 129 Cb -0.82 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1whb s LEU 129 CO 0.55 -0.61 -0.08 0.54 0.23 0.00 0.00 176.35 176.98 1whb s VAL 130 N -2.54 0.72 0.53 -1.59 0.11 -1.17 -0.05 120.40 116.41 1whb s VAL 130 Ca 0.47 -0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 58.97 1whb s VAL 130 Cb -0.10 -0.65 -0.06 0.00 -1.53 0.00 0.00 36.38 34.05 1whb s VAL 130 CO 0.38 0.23 1.35 -0.11 -3.33 0.00 0.00 175.10 173.63 1whb n LEU 131 N 3.35 5.32 -4.56 2.54 7.94 -0.98 -1.68 117.00 128.93 1whb n LEU 131 Ca -0.19 1.00 -0.33 0.00 -1.11 0.00 0.00 56.01 55.39 1whb n LEU 131 Cb 0.54 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.88 1whb n LEU 131 CO 0.25 -0.57 1.44 -0.70 -1.11 0.00 0.00 177.39 176.70 1whb s GLU 132 N -2.78 2.98 0.00 1.96 2.12 -0.76 -3.20 118.70 119.02 1whb s GLU 132 Ca 0.70 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1whb s GLU 132 Cb -0.43 -5.21 0.00 0.00 0.26 0.00 0.00 34.13 28.76 1whb s GLU 132 CO 0.51 -2.98 0.00 0.41 -0.54 0.00 0.00 175.26 172.66 1whb n GLY 133 N 6.69 2.10 0.00 -1.50 0.00 -1.26 -4.77 105.19 106.44 1whb n GLY 133 Ca 0.39 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -1.41 0.37 -0.02 0.00 -1.19 -3.95 105.19 98.98 1whb n GLY 134 Ca 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 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 1.26 -0.45 1.61 3.20 0.53 -1.51 116.97 121.61 1whb h TYR 135 Ca 0.00 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1whb h TYR 135 Cb 0.00 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 37.83 1whb h TYR 135 CO 0.00 0.82 0.31 1.49 -1.64 0.00 0.00 178.16 179.15 1whb h GLU 136 N 1.33 0.18 0.02 1.82 4.57 -1.74 -0.70 114.58 120.07 1whb h GLU 136 Ca 0.35 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.26 1whb h GLU 136 Cb -0.09 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1whb h GLU 136 CO -0.07 0.12 -1.35 -0.97 -1.18 0.00 0.00 179.01 175.56 1whb h ASN 137 N 0.19 0.07 -0.17 1.04 -0.73 -1.54 -3.33 115.58 111.11 1whb h ASN 137 Ca 0.21 -0.10 -0.10 0.00 1.87 0.00 0.00 56.30 58.19 1whb h ASN 137 Cb 0.58 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 1whb h ASN 137 CO -0.03 1.08 -0.20 -0.25 -0.37 0.00 0.00 177.43 177.65 1whb h TRP 138 N 0.01 0.67 -0.06 0.67 2.91 -0.22 -2.43 115.95 117.50 1whb h TRP 138 Ca -0.15 -0.14 -0.04 0.00 1.13 0.00 0.00 58.89 59.69 1whb h TRP 138 Cb 1.90 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 30.38 1whb h TRP 138 CO 0.01 0.76 -0.14 -0.07 -1.03 0.00 0.00 178.44 177.97 1whb h LEU 139 N 0.54 0.09 -0.04 0.65 3.38 -1.35 0.75 115.31 119.33 1whb h LEU 139 Ca 0.08 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 1whb h LEU 139 Cb 0.65 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1whb h LEU 139 CO 0.05 0.24 -1.01 -0.07 0.09 0.00 0.00 178.44 177.74 1whb h LEU 140 N 0.09 0.08 0.00 1.67 3.38 -1.59 -2.98 115.31 115.97 1whb h LEU 140 Ca 0.02 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1whb h LEU 140 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1whb h LEU 140 CO 0.02 1.04 -0.51 0.00 0.09 0.00 0.00 178.44 179.07 1whb s TYR 142 N -2.12 2.09 0.21 0.00 2.02 0.26 -4.95 117.35 114.86 1whb s TYR 142 Ca -0.16 -2.70 0.16 0.00 -0.37 0.00 0.00 57.07 54.00 1whb s TYR 142 Cb 0.02 -1.68 0.61 0.00 -0.40 0.00 0.00 41.96 40.51 1whb s TYR 142 CO 0.36 -0.72 1.71 -1.00 -1.57 0.00 0.00 175.55 174.33 1whb h PRO 143 N 5.68 0.00 0.00 -1.71 0.13 -1.61 -2.88 132.00 131.61 1whb h PRO 143 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1whb h PRO 143 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1whb h PRO 143 CO 0.51 0.43 0.00 -0.56 -0.23 0.00 0.00 178.00 178.15 1whb h GLN 144 N 0.00 0.00 -1.29 0.86 -0.00 -1.92 -3.27 115.11 109.48 1whb h GLN 144 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1whb h GLN 144 Cb 0.93 0.00 -0.21 0.00 -0.00 0.00 0.00 27.48 28.20 1whb h GLN 144 CO 0.06 0.00 0.64 0.98 -0.00 0.00 0.00 178.83 180.51 1whb n TYR 145 N -2.39 2.35 -3.95 0.06 4.19 -1.09 -4.90 117.16 111.44 1whb n TYR 145 Ca 0.05 -2.47 -0.09 0.00 3.31 0.00 0.00 57.90 58.69 1whb n TYR 145 Cb 0.42 -1.20 -0.10 0.00 0.49 0.00 0.00 39.34 38.96 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1whb s THR 146 N -3.51 0.14 0.20 2.97 -4.23 -1.24 -3.40 115.64 106.57 1whb s THR 146 Ca 0.48 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1whb s THR 146 Cb 0.37 -0.85 -0.09 0.00 1.34 0.00 0.00 72.50 73.27 1whb s THR 146 CO -0.02 -0.62 1.48 0.71 -0.54 0.00 0.00 174.62 175.63 1whb h THR 147 N 3.76 1.43 -2.44 3.99 1.35 -1.44 -3.43 112.91 116.13 1whb h THR 147 Ca -0.32 -2.24 -0.33 0.00 -0.55 0.00 0.00 66.41 62.97 1whb h THR 147 Cb 1.18 2.19 -0.35 0.00 -1.73 0.00 0.00 68.15 69.44 1whb h THR 147 CO 0.50 0.66 -0.63 0.21 -0.25 0.00 0.00 175.52 176.01 1whb s ASN 148 N -6.92 1.54 -0.44 5.36 2.47 -1.25 -4.98 114.94 110.72 1whb s ASN 148 Ca -0.04 -0.39 0.04 0.00 0.42 0.00 0.00 52.86 52.90 1whb s ASN 148 Cb 0.11 0.39 0.54 0.00 -1.45 0.00 0.00 41.25 40.84 1whb s ASN 148 CO 0.81 -0.35 1.73 0.00 -3.72 0.00 0.00 177.10 175.58 1whb n ALA 149 N 5.31 5.35 -3.70 1.71 0.00 -1.26 -4.34 120.51 123.59 1whb n ALA 149 Ca -0.05 -3.22 -0.28 0.00 0.00 0.00 0.00 53.44 49.89 1whb n ALA 149 Cb 0.48 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 1whb n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whb n LYS 150 N -1.04 1.90 -4.30 0.00 5.02 -1.26 -5.07 118.16 113.41 1whb n LYS 150 Ca 0.51 -4.42 -0.17 0.00 -2.02 0.00 0.00 58.31 52.21 1whb n LYS 150 Cb 1.15 -2.21 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1whb s VAL 151 N -1.67 1.50 -0.05 -0.18 -7.23 -1.26 -5.05 120.40 106.45 1whb s VAL 151 Ca 0.30 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1whb s VAL 151 Cb 0.03 -1.95 -0.25 0.00 0.56 0.00 0.00 36.38 34.77 1whb s VAL 151 CO -0.12 -0.65 0.63 0.28 -0.31 0.00 0.00 175.10 174.93 1whb h SER 152 N 2.68 0.18 -3.37 4.85 0.02 -2.02 -3.50 113.55 112.39 1whb h SER 152 Ca -0.37 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1whb h SER 152 Cb 1.21 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1whb h SER 152 CO 0.62 1.32 -0.04 0.61 -1.14 0.00 0.00 176.83 178.20 1whb n GLY 153 N 1.69 -0.64 3.62 -3.77 0.00 -1.26 -4.95 105.19 99.88 1whb n GLY 153 Ca -0.21 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1whb n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whb s PRO 154 N -2.01 3.68 1.08 1.61 0.04 -1.26 -5.01 135.00 133.14 1whb s PRO 154 Ca 0.02 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1whb s PRO 154 Cb -0.01 -4.05 0.26 0.00 0.04 0.00 0.00 34.50 30.74 1whb s PRO 154 CO 0.12 -1.43 1.18 0.43 0.04 0.00 0.00 177.00 177.35 1whb n SER 155 N 8.80 -1.01 -1.29 6.66 7.64 -1.26 -5.03 113.62 128.13 1whb n SER 155 Ca 0.19 -1.31 -0.05 0.00 1.01 0.00 0.00 58.87 58.71 1whb n SER 155 Cb 0.46 -0.99 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1whb n SER 155 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whb n SER 156 N -4.35 -0.94 0.00 6.43 7.64 -1.26 -5.19 113.62 115.95 1whb n SER 156 Ca 0.16 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1whb n SER 156 Cb 0.57 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64