#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb h SER 2 N 0.00 0.45 -1.10 1.61 0.87 -2.06 -3.43 113.55 109.89 1whb h SER 2 Ca 0.00 -0.59 -0.18 0.00 -1.23 0.00 0.00 61.79 59.79 1whb h SER 2 Cb 0.00 -0.13 -0.18 0.00 -0.44 0.00 0.00 62.40 61.65 1whb h SER 2 CO 0.00 0.97 -0.52 -0.44 -0.53 0.00 0.00 176.83 176.30 1whb s SER 3 N -6.38 -1.24 -0.24 6.23 0.01 -1.26 -5.00 113.70 105.83 1whb s SER 3 Ca -0.14 -1.79 0.09 0.00 1.31 0.00 0.00 55.95 55.42 1whb s SER 3 Cb 0.05 1.73 0.28 0.00 0.21 0.00 0.00 66.02 68.29 1whb s SER 3 CO 0.78 -0.07 1.23 0.61 0.41 0.00 0.00 173.24 176.21 1whb n GLY 4 N 3.01 1.09 3.56 3.44 0.00 -1.26 -5.14 105.19 109.88 1whb n GLY 4 Ca 0.18 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1whb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whb s SER 5 N -0.79 -0.58 -0.53 1.61 0.01 -1.26 -4.67 113.70 107.49 1whb s SER 5 Ca 0.07 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1whb s SER 5 Cb 0.31 0.64 0.49 0.00 0.21 0.00 0.00 66.02 67.67 1whb s SER 5 CO -0.09 -0.45 1.96 -0.24 0.41 0.00 0.00 173.24 174.82 1whb n SER 6 N 1.22 5.97 0.00 2.44 2.88 -1.26 -4.87 113.62 120.00 1whb n SER 6 Ca -0.15 -3.59 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 1whb n SER 6 Cb 0.57 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1whb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whb n GLY 7 N -0.82 2.83 3.47 0.46 0.00 -1.26 -5.17 105.19 104.70 1whb n GLY 7 Ca 0.56 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 1whb n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whb s LYS 8 N 0.00 0.49 0.63 1.61 2.47 -1.26 -5.07 119.74 118.61 1whb s LYS 8 Ca 0.00 1.17 0.00 0.00 -1.56 0.00 0.00 55.97 55.58 1whb s LYS 8 Cb 0.00 0.42 0.00 0.00 -1.46 0.00 0.00 37.83 36.79 1whb s LYS 8 CO 0.00 -0.20 0.00 0.00 0.16 0.00 0.00 175.35 175.31 1whb s GLU 10 N -4.47 0.19 -0.75 0.00 4.04 -1.26 -5.09 118.70 111.35 1whb s GLU 10 Ca 0.00 0.76 -0.00 0.00 0.04 0.00 0.00 54.97 55.76 1whb s GLU 10 Cb 0.00 -0.06 0.19 0.00 0.02 0.00 0.00 34.13 34.28 1whb s GLU 10 CO 0.00 -0.32 0.59 0.95 -1.84 0.00 0.00 175.26 174.64 1whb s THR 11 N 2.45 3.77 -0.46 1.83 -4.23 -1.26 -5.05 115.64 112.69 1whb s THR 11 Ca 0.02 -3.64 -0.29 0.00 -1.18 0.00 0.00 61.69 56.60 1whb s THR 11 Cb -0.12 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.32 1whb s THR 11 CO -0.10 -0.99 1.32 -0.54 -0.54 0.00 0.00 174.62 173.77 1whb s LYS 12 N -0.92 3.57 -0.43 3.99 -0.14 -1.26 -4.98 119.74 119.57 1whb s LYS 12 Ca 0.23 0.72 -0.07 0.00 -1.36 0.00 0.00 55.97 55.49 1whb s LYS 12 Cb -0.12 -4.00 0.10 0.00 -1.68 0.00 0.00 37.83 32.13 1whb s LYS 12 CO -0.10 -1.57 0.27 -2.00 -0.76 0.00 0.00 175.35 171.19 1whb s GLU 13 N 4.88 2.39 -0.44 1.68 -6.30 -1.26 -4.93 118.70 114.73 1whb s GLU 13 Ca 0.55 -1.67 0.03 0.00 -2.50 0.00 0.00 54.97 51.38 1whb s GLU 13 Cb -0.11 -3.77 0.60 0.00 0.00 0.00 0.00 34.13 30.85 1whb s GLU 13 CO 0.31 -1.07 1.87 1.17 0.02 0.00 0.00 175.26 177.56 1whb n LYS 14 N 4.82 2.19 -1.11 4.30 4.81 -1.26 -4.18 118.16 127.74 1whb n LYS 14 Ca -0.07 -2.81 -0.02 0.00 -0.87 0.00 0.00 58.31 54.54 1whb n LYS 14 Cb 0.42 -2.10 -0.03 0.00 0.02 0.00 0.00 35.03 33.34 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1whb n GLY 15 N -1.00 0.73 2.96 3.14 0.00 -1.26 -5.07 105.19 104.68 1whb n GLY 15 Ca 0.56 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.21 -0.09 4.61 0.00 -1.26 -4.22 121.76 120.60 1whb s ALA 16 Ca 0.13 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 1whb s ALA 16 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1whb s ALA 16 CO -0.06 -0.04 -0.07 -1.50 0.00 0.00 0.00 175.76 174.09 1whb s ILE 17 N 0.06 3.70 0.48 0.00 2.07 -0.86 -4.90 121.20 121.75 1whb s ILE 17 Ca -0.00 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.75 1whb s ILE 17 Cb -0.01 -2.53 -0.01 0.00 0.13 0.00 0.00 42.46 40.04 1whb s ILE 17 CO 0.00 0.58 0.74 0.42 -1.91 0.00 0.00 174.94 174.77 1whb s THR 18 N -0.53 4.11 0.30 4.00 -4.23 -1.26 -1.17 115.64 116.85 1whb s THR 18 Ca 0.08 -0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 1whb s THR 18 Cb -0.12 -3.55 0.16 0.00 1.34 0.00 0.00 72.50 70.33 1whb s THR 18 CO 0.02 -0.46 1.85 0.00 -0.54 0.00 0.00 174.62 175.49 1whb h ALA 19 N 0.24 1.28 -0.69 3.99 0.00 -1.96 -2.10 119.26 120.02 1whb h ALA 19 Ca -0.46 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1whb h ALA 19 Cb 1.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1whb h ALA 19 CO 0.59 0.50 0.22 -0.22 0.00 0.00 0.00 179.25 180.34 1whb h LYS 20 N 0.71 1.06 -0.23 0.00 1.63 -1.99 -1.26 116.57 116.48 1whb h LYS 20 Ca 0.16 -0.22 -0.14 0.00 -0.85 0.00 0.00 60.65 59.60 1whb h LYS 20 Cb 0.29 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1whb h LYS 20 CO 0.00 0.90 -0.45 0.93 -3.45 0.00 0.00 179.45 177.39 1whb h GLU 21 N 1.02 0.57 -0.30 1.90 5.08 -1.86 -2.32 114.58 118.66 1whb h GLU 21 Ca 0.22 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1whb h GLU 21 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1whb h GLU 21 CO -0.01 0.90 -0.33 1.25 -1.00 0.00 0.00 179.01 179.82 1whb h LEU 22 N 0.46 0.69 -0.29 1.33 5.85 -1.04 -1.38 115.31 120.92 1whb h LEU 22 Ca 0.03 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 1whb h LEU 22 Cb 0.96 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1whb h LEU 22 CO 0.09 0.97 -0.17 0.22 -0.34 0.00 0.00 178.44 179.20 1whb h TYR 23 N 0.56 0.73 -0.45 1.25 3.20 -1.14 0.14 116.97 121.26 1whb h TYR 23 Ca 0.06 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 1whb h TYR 23 Cb 0.84 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1whb h TYR 23 CO 0.04 0.88 -0.00 1.15 -1.64 0.00 0.00 178.16 178.59 1whb h THR 24 N 0.37 1.26 -0.02 1.81 2.02 -1.37 -2.09 112.91 114.89 1whb h THR 24 Ca 0.06 -1.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 1whb h THR 24 Cb 0.70 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1whb h THR 24 CO 0.05 0.36 -0.62 0.24 0.37 0.00 0.00 175.52 175.92 1whb h MET 25 N 0.63 0.08 -0.04 6.66 2.86 -1.24 -3.02 114.93 120.87 1whb h MET 25 Ca 0.13 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1whb h MET 25 Cb 0.50 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1whb h MET 25 CO 0.02 0.68 -0.46 0.52 1.06 0.00 0.00 176.91 178.73 1whb h MET 26 N 0.06 0.10 -1.00 1.72 2.07 -0.53 -2.82 114.93 114.52 1whb h MET 26 Ca -0.01 -0.05 -0.49 0.00 -2.07 0.00 0.00 59.70 57.08 1whb h MET 26 Cb 1.11 0.00 -0.29 0.00 -1.87 0.00 0.00 31.60 30.55 1whb h MET 26 CO 0.09 0.54 0.62 -2.37 1.07 0.00 0.00 176.91 176.86 1whb n THR 27 N -3.99 3.07 -5.21 2.22 5.66 -0.80 -4.90 114.28 110.34 1whb n THR 27 Ca -0.02 -1.82 -0.32 0.00 -3.05 0.00 0.00 64.05 58.84 1whb n THR 27 Cb 0.50 -0.53 -0.17 0.00 -1.55 0.00 0.00 70.33 68.57 1whb n THR 27 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1whb s ASP 28 N -1.15 3.05 -0.42 1.09 1.11 -1.07 -5.01 116.67 114.27 1whb s ASP 28 Ca 0.53 -0.55 0.03 0.00 0.18 0.00 0.00 52.55 52.74 1whb s ASP 28 Cb 0.45 -1.37 0.59 0.00 1.07 0.00 0.00 42.92 43.66 1whb s ASP 28 CO 0.10 0.16 1.85 0.29 1.18 0.00 0.00 175.17 178.75 1whb n LYS 29 N 3.50 2.17 0.00 8.23 5.02 -1.26 -4.24 118.16 131.58 1whb n LYS 29 Ca -0.19 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1whb n LYS 29 Cb 0.53 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1whb n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1whb n ASN 30 N -0.97 1.93 -4.62 4.39 5.03 -1.26 -5.04 115.26 114.71 1whb n ASN 30 Ca 0.55 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.65 1whb n ASN 30 Cb 1.49 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 40.15 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1whb s ILE 31 N -1.84 4.62 0.24 2.41 1.01 -1.26 -5.08 121.20 121.29 1whb s ILE 31 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1whb s ILE 31 Cb 0.00 -3.06 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 1whb s ILE 31 CO 0.00 0.49 0.72 -0.44 0.00 0.00 0.00 174.94 175.71 1whb s SER 32 N 0.20 7.01 0.00 3.58 0.01 -1.26 -4.84 113.70 118.40 1whb s SER 32 Ca 0.03 1.39 -0.22 0.00 1.31 0.00 0.00 55.95 58.46 1whb s SER 32 Cb -0.13 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.74 1whb s SER 32 CO 0.01 -0.01 0.48 -0.22 0.41 0.00 0.00 173.24 173.91 1whb s LEU 33 N -2.15 0.15 0.04 2.44 2.96 -1.26 -1.70 118.68 119.16 1whb s LEU 33 Ca 0.45 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.59 1whb s LEU 33 Cb -0.16 1.90 -0.02 0.00 0.50 0.00 0.00 46.19 48.41 1whb s LEU 33 CO 0.20 -0.59 0.03 -0.63 -1.32 0.00 0.00 176.35 174.04 1whb s ILE 34 N -1.76 0.16 0.10 6.68 1.01 -1.26 -5.04 121.20 121.10 1whb s ILE 34 Ca -0.09 -1.32 0.07 0.00 0.00 0.00 0.00 60.65 59.31 1whb s ILE 34 Cb -0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1whb s ILE 34 CO 0.03 -0.73 -0.18 -0.63 0.00 0.00 0.00 174.94 173.43 1whb s ILE 35 N -2.90 1.53 -0.06 2.92 1.01 -1.26 -1.49 121.20 120.95 1whb s ILE 35 Ca -0.03 -1.54 -0.03 0.00 0.00 0.00 0.00 60.65 59.06 1whb s ILE 35 Cb 0.01 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 41.06 1whb s ILE 35 CO -0.06 -0.17 0.13 -0.04 0.00 0.00 0.00 174.94 174.81 1whb s MET 36 N -2.03 0.05 -0.51 2.79 -1.94 -1.20 0.10 119.30 116.56 1whb s MET 36 Ca 0.05 0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 54.17 1whb s MET 36 Cb -0.09 -0.24 0.03 0.00 2.01 0.00 0.00 34.83 36.54 1whb s MET 36 CO 0.04 -0.22 1.10 -0.51 -0.01 0.00 0.00 175.02 175.41 1whb s ASP 37 N 1.59 6.53 -1.20 3.03 1.11 0.17 -2.26 116.67 125.65 1whb s ASP 37 Ca -0.04 0.23 -0.06 0.00 0.18 0.00 0.00 52.55 52.85 1whb s ASP 37 Cb -0.12 -2.52 0.23 0.00 1.07 0.00 0.00 42.92 41.57 1whb s ASP 37 CO -0.05 -1.27 1.78 0.00 1.18 0.00 0.00 175.17 176.80 1whb n ALA 38 N 7.84 5.48 -3.20 5.23 0.00 -1.26 -0.50 120.51 134.11 1whb n ALA 38 Ca 0.09 -4.50 -0.04 0.00 0.00 0.00 0.00 53.44 49.00 1whb n ALA 38 Cb 0.49 -2.68 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 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 2.48 0.08 -1.91 0.00 3.00 -1.22 -4.81 116.66 114.28 1whb n ARG 39 Ca 0.37 -0.53 -0.35 0.00 -0.01 0.00 0.00 57.85 57.33 1whb n ARG 39 Cb 0.33 0.45 0.04 0.00 0.00 0.00 0.00 32.46 33.29 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 -2.20 2.87 0.52 5.56 3.00 -1.26 -1.14 118.95 126.30 1whb s ARG 40 Ca 0.06 1.69 0.16 0.00 0.00 0.00 0.00 55.73 57.64 1whb s ARG 40 Cb 0.00 -1.93 1.28 0.00 0.00 0.00 0.00 34.95 34.30 1whb s ARG 40 CO 0.04 -1.25 2.15 1.98 0.00 0.00 0.00 175.30 178.22 1whb h MET 41 N 0.57 0.00 0.00 3.54 4.05 -1.94 -0.88 114.93 120.27 1whb h MET 41 Ca -0.49 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 58.79 1whb h MET 41 Cb 1.28 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1whb h MET 41 CO 0.54 0.00 -0.66 1.96 0.23 0.00 0.00 176.91 178.98 1whb h GLN 42 N 0.00 0.00 -0.14 0.39 7.50 -2.00 -3.01 115.11 117.86 1whb h GLN 42 Ca 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.12 1whb h GLN 42 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.56 1whb h GLN 42 CO -0.00 0.66 -0.07 -0.44 -1.50 0.00 0.00 178.83 177.49 1whb h ASP 43 N 0.00 0.31 -0.53 1.46 3.32 -1.52 -1.74 116.42 117.73 1whb h ASP 43 Ca -0.01 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.65 1whb h ASP 43 Cb 1.19 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1whb h ASP 43 CO 0.09 0.65 0.32 0.22 -1.72 0.00 0.00 179.24 178.80 1whb h TYR 44 N -0.04 0.61 -0.05 4.55 3.20 -1.52 0.51 116.97 124.23 1whb h TYR 44 Ca 0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1whb h TYR 44 Cb 0.54 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1whb h TYR 44 CO 0.07 0.36 -0.27 1.96 -1.64 0.00 0.00 178.16 178.63 1whb h GLN 45 N 0.65 0.08 0.22 1.82 1.08 -1.52 -2.99 115.11 114.45 1whb h GLN 45 Ca 0.21 -0.02 -0.30 0.00 -1.45 0.00 0.00 58.65 57.08 1whb h GLN 45 Cb -0.01 -0.01 0.04 0.00 -0.05 0.00 0.00 27.48 27.45 1whb h GLN 45 CO -0.08 0.35 -1.33 -0.44 -0.95 0.00 0.00 178.83 176.38 1whb h ASP 46 N 0.07 0.79 -4.69 1.46 5.19 -0.44 -3.48 116.42 115.32 1whb h ASP 46 Ca 0.01 -0.91 -0.08 0.00 -0.62 0.00 0.00 57.03 55.43 1whb h ASP 46 Cb 0.53 -0.25 -0.20 0.00 0.18 0.00 0.00 39.33 39.58 1whb h ASP 46 CO 0.04 1.64 0.01 -0.55 -3.12 0.00 0.00 179.24 177.26 1whb s SER 47 N -7.46 -0.53 -0.16 6.45 0.15 0.17 -4.82 113.70 107.50 1whb s SER 47 Ca -0.10 0.69 -0.34 0.00 0.70 0.00 0.00 55.95 56.90 1whb s SER 47 Cb 0.04 0.67 0.14 0.00 -1.71 0.00 0.00 66.02 65.16 1whb s SER 47 CO 0.92 -0.45 1.31 0.00 1.20 0.00 0.00 173.24 176.22 1whb s ILE 49 N -2.27 4.01 0.00 0.00 1.01 -1.26 -1.37 121.20 121.33 1whb s ILE 49 Ca 0.12 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.49 1whb s ILE 49 Cb 0.02 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1whb s ILE 49 CO -0.04 -0.79 0.48 0.18 0.00 0.00 0.00 174.94 174.77 1whb n LEU 50 N -2.88 0.45 -4.05 2.97 4.77 -1.25 -4.12 117.00 112.89 1whb n LEU 50 Ca 0.08 0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 56.13 1whb n LEU 50 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1whb n LEU 50 CO 0.54 -0.09 1.84 1.41 -1.33 0.00 0.00 177.39 179.76 1whb n HIS 51 N -0.77 3.62 -4.16 -1.77 8.25 -1.26 -4.91 115.22 114.21 1whb n HIS 51 Ca 0.00 -2.97 -0.17 0.00 -0.26 0.00 0.00 57.72 54.32 1whb n HIS 51 Cb 0.00 -2.08 -0.05 0.00 1.12 0.00 0.00 29.99 28.98 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 1.68 1.35 0.50 0.41 1.04 -1.26 -4.66 113.70 112.75 1whb s SER 52 Ca 0.41 -1.64 0.03 0.00 0.48 0.00 0.00 55.95 55.23 1whb s SER 52 Cb 0.06 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 1whb s SER 52 CO 0.00 -1.25 0.09 -0.22 0.98 0.00 0.00 173.24 172.84 1whb s LEU 53 N -3.31 2.51 0.01 2.42 2.96 0.28 -4.95 118.68 118.61 1whb s LEU 53 Ca 0.35 -1.49 -0.05 0.00 -0.22 0.00 0.00 54.13 52.72 1whb s LEU 53 Cb 0.00 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1whb s LEU 53 CO 0.25 -0.82 0.08 -0.55 -1.32 0.00 0.00 176.35 173.98 1whb s SER 54 N -3.93 0.11 -0.19 3.68 0.15 -1.26 0.46 113.70 112.71 1whb s SER 54 Ca 0.18 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 1whb s SER 54 Cb 0.02 0.17 0.10 0.00 -1.71 0.00 0.00 66.02 64.60 1whb s SER 54 CO 0.10 -0.35 0.35 0.54 1.20 0.00 0.00 173.24 175.08 1whb s VAL 55 N -1.45 -0.55 0.21 4.45 0.11 0.35 -4.58 120.40 118.95 1whb s VAL 55 Ca -0.15 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 1whb s VAL 55 Cb -0.08 -0.65 -0.15 0.00 -1.53 0.00 0.00 36.38 33.96 1whb s VAL 55 CO 0.00 0.00 1.00 -2.65 -3.33 0.00 0.00 175.10 170.13 1whb n PRO 56 N 5.37 1.01 0.12 1.54 -0.02 -1.26 -3.43 135.00 138.32 1whb n PRO 56 Ca -0.06 0.36 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 1whb n PRO 56 Cb 0.50 -1.73 0.16 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.46 0.09 -0.36 -0.52 4.81 -1.45 -3.11 114.58 116.50 1whb h GLU 57 Ca -0.40 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 1whb h GLU 57 Cb 1.36 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1whb h GLU 57 CO 0.64 0.66 -0.38 0.93 -0.73 0.00 0.00 179.01 180.13 1whb h GLU 58 N 0.07 0.85 -0.10 1.92 5.08 -1.90 -2.95 114.58 117.56 1whb h GLU 58 Ca -0.01 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1whb h GLU 58 Cb 1.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1whb h GLU 58 CO 0.08 1.08 0.04 0.00 -1.00 0.00 0.00 179.01 179.21 1whb h ALA 59 N 0.86 1.87 -2.30 3.43 0.00 -1.89 -3.42 119.26 117.81 1whb h ALA 59 Ca 0.06 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.45 1whb h ALA 59 Cb 0.95 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1whb h ALA 59 CO 0.09 0.11 0.15 0.42 0.00 0.00 0.00 179.25 180.02 1whb s ILE 60 N -5.10 4.59 -0.03 0.00 1.01 -1.11 -4.70 121.20 115.85 1whb s ILE 60 Ca -0.06 1.13 -0.19 0.00 0.00 0.00 0.00 60.65 61.53 1whb s ILE 60 Cb 0.17 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 39.01 1whb s ILE 60 CO 0.69 -0.13 0.42 -0.44 0.00 0.00 0.00 174.94 175.47 1whb s SER 61 N -2.13 -0.33 -0.61 3.58 0.01 -1.26 -4.96 113.70 107.99 1whb s SER 61 Ca 0.54 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.84 1whb s SER 61 Cb -0.11 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1whb s SER 61 CO 0.17 -0.47 1.84 -2.16 0.41 0.00 0.00 173.24 173.03 1whb s PRO 62 N -1.19 2.66 0.00 12.44 0.04 -1.26 -3.04 135.00 144.65 1whb s PRO 62 Ca -0.12 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1whb s PRO 62 Cb -0.04 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1whb s PRO 62 CO 0.06 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1whb n GLY 63 N 5.68 1.47 3.58 0.56 0.00 -1.26 -5.00 105.19 110.22 1whb n GLY 63 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.12 0.00 -4.72 1.61 0.24 -1.17 -5.16 118.33 109.00 1whb n VAL 64 Ca 0.00 -2.21 -0.32 0.00 -2.04 0.00 0.00 64.34 59.77 1whb n VAL 64 Cb 0.00 0.22 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 1whb n VAL 64 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1whb s THR 65 N -2.70 1.14 0.43 3.34 -4.23 -1.26 -4.48 115.64 107.88 1whb s THR 65 Ca 0.15 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.78 1whb s THR 65 Cb -0.01 -2.23 0.19 0.00 1.34 0.00 0.00 72.50 71.78 1whb s THR 65 CO 0.09 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.15 1whb h ALA 66 N 1.43 1.65 -0.13 3.99 0.00 -1.75 -2.09 119.26 122.37 1whb h ALA 66 Ca -0.43 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1whb h ALA 66 Cb 1.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1whb h ALA 66 CO 0.73 0.26 -0.29 0.77 0.00 0.00 0.00 179.25 180.71 1whb h SER 67 N 0.11 0.23 0.12 0.00 0.02 -1.91 -0.82 113.55 111.32 1whb h SER 67 Ca 0.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1whb h SER 67 Cb 0.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1whb h SER 67 CO 0.02 0.52 -0.06 -0.25 -1.14 0.00 0.00 176.83 175.92 1whb h TRP 68 N 0.21 -0.15 -0.35 3.45 2.91 -1.77 -2.37 115.95 117.88 1whb h TRP 68 Ca 0.03 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.93 1whb h TRP 68 Cb 0.62 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 1whb h TRP 68 CO 0.01 0.03 -0.22 0.82 -1.03 0.00 0.00 178.44 178.05 1whb h ILE 69 N -0.31 1.29 -0.43 2.65 2.04 -1.52 -2.89 117.51 118.34 1whb h ILE 69 Ca -0.02 -1.36 0.12 0.00 1.00 0.00 0.00 64.86 64.60 1whb h ILE 69 Cb 0.25 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1whb h ILE 69 CO 0.03 0.45 0.35 -0.08 0.00 0.00 0.00 178.15 178.89 1whb h GLU 70 N 0.54 0.00 0.00 2.37 4.81 -1.11 0.11 114.58 121.30 1whb h GLU 70 Ca 0.07 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 1whb h GLU 70 Cb 0.78 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1whb h GLU 70 CO 0.06 0.00 -0.99 0.00 -0.73 0.00 0.00 179.01 177.35 1whb h ALA 71 N 1.71 0.37 -3.39 2.92 0.00 -1.22 -3.41 119.26 116.25 1whb h ALA 71 Ca 0.20 -0.90 -0.67 0.00 0.00 0.00 0.00 54.91 53.55 1whb h ALA 71 Cb 0.90 -0.16 -0.38 0.00 0.00 0.00 0.00 17.79 18.15 1whb h ALA 71 CO -0.00 1.23 -0.60 -1.01 0.00 0.00 0.00 179.25 178.87 1whb s HIS 72 N -2.74 3.55 0.19 0.00 3.76 0.38 -5.07 115.29 115.36 1whb s HIS 72 Ca 0.01 -2.83 -0.19 0.00 -0.15 0.00 0.00 55.06 51.90 1whb s HIS 72 Cb 0.10 -3.03 0.04 0.00 1.11 0.00 0.00 32.58 30.79 1whb s HIS 72 CO 0.82 -0.90 0.56 -0.51 -0.85 0.00 0.00 174.74 173.86 1whb s LEU 73 N 0.58 -0.11 0.00 0.89 1.43 -1.25 -4.70 118.68 115.53 1whb s LEU 73 Ca 0.12 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1whb s LEU 73 Cb -0.22 2.31 0.00 0.00 0.03 0.00 0.00 46.19 48.32 1whb s LEU 73 CO -0.05 -1.06 0.00 -2.65 0.23 0.00 0.00 176.35 172.83 1whb n PRO 74 N -0.36 1.03 -0.05 1.29 -0.02 -1.26 -4.87 135.00 130.76 1whb n PRO 74 Ca -0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1whb n PRO 74 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.10 1whb n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1whb n ASP 75 N -0.26 1.23 0.14 2.55 -0.08 -1.26 -4.11 116.55 114.75 1whb n ASP 75 Ca 0.00 0.52 -0.01 0.00 -1.51 0.00 0.00 54.79 53.79 1whb n ASP 75 Cb 0.00 -0.75 0.18 0.00 2.34 0.00 0.00 41.12 42.89 1whb n ASP 75 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1whb h ASP 76 N -0.68 0.00 -0.15 1.67 3.32 -2.01 -3.03 116.42 115.55 1whb h ASP 76 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1whb h ASP 76 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1whb h ASP 76 CO 0.00 0.61 0.10 -1.28 -1.72 0.00 0.00 179.24 176.95 1whb h SER 77 N 0.00 0.06 0.03 6.45 0.87 -1.90 -0.91 113.55 118.14 1whb h SER 77 Ca -0.01 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1whb h SER 77 Cb 1.07 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1whb h SER 77 CO 0.08 0.04 -0.02 0.11 -0.53 0.00 0.00 176.83 176.51 1whb h LYS 78 N 0.07 0.00 0.24 2.24 1.79 -1.68 -0.05 116.57 119.17 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 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1whb h LYS 78 CO -0.01 0.02 -0.12 -0.44 -1.08 0.00 0.00 179.45 177.83 1whb h ASP 79 N 0.00 -0.27 -0.19 0.86 5.19 -1.33 -3.17 116.42 117.51 1whb h ASP 79 Ca -0.00 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1whb h ASP 79 Cb 0.04 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1whb h ASP 79 CO 0.00 -0.09 0.14 0.74 -3.12 0.00 0.00 179.24 176.91 1whb h THR 80 N -0.53 0.83 -0.93 0.35 2.02 -1.59 -1.70 112.91 111.37 1whb h THR 80 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1whb h THR 80 Cb 0.25 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1whb h THR 80 CO 0.05 0.00 0.58 -0.25 0.37 0.00 0.00 175.52 176.27 1whb h TRP 81 N 0.00 1.06 0.00 3.16 2.91 -1.04 0.02 115.95 122.06 1whb h TRP 81 Ca 0.09 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1whb h TRP 81 Cb 0.37 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1whb h TRP 81 CO 0.00 0.49 0.00 0.87 -1.03 0.00 0.00 178.44 178.77 1whb h LYS 82 N 0.99 0.00 -0.33 2.65 1.57 -1.28 -3.10 116.57 117.07 1whb h LYS 82 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1whb h LYS 82 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1whb h LYS 82 CO -0.22 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.29 1whb n LYS 83 N -2.82 1.76 0.19 3.15 4.76 -0.03 -3.97 118.16 121.20 1whb n LYS 83 Ca 0.04 -1.17 0.05 0.00 -2.87 0.00 0.00 58.31 54.36 1whb n LYS 83 Cb 0.47 -1.26 0.35 0.00 -1.84 0.00 0.00 35.03 32.75 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1whb h ARG 84 N 1.89 0.00 -0.28 1.97 0.11 -1.41 -2.73 114.38 113.93 1whb h ARG 84 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1whb h ARG 84 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1whb h ARG 84 CO 0.00 0.39 0.00 0.41 0.10 0.00 0.00 179.97 180.88 1whb n GLY 85 N 0.05 0.31 0.07 0.08 0.00 -1.25 -3.74 105.19 100.70 1whb n GLY 85 Ca -0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1whb n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whb n ASN 86 N 0.31 1.76 -3.46 1.61 3.02 -1.03 -4.94 115.26 112.53 1whb n ASN 86 Ca 0.09 -0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.38 1whb n ASN 86 Cb 0.24 0.68 0.19 0.00 -0.61 0.00 0.00 39.78 40.28 1whb n ASN 86 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1whb n VAL 87 N -2.58 0.00 -0.08 2.41 0.24 -1.23 -5.01 118.33 112.07 1whb n VAL 87 Ca -0.24 -0.57 -0.13 0.00 -2.04 0.00 0.00 64.34 61.36 1whb n VAL 87 Cb 0.93 -1.36 -0.04 0.00 -1.47 0.00 0.00 33.84 31.90 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 -3.89 0.46 -3.25 7.34 2.13 -1.15 -4.76 120.64 117.53 1whb n GLU 88 Ca 0.13 0.19 -0.20 0.00 0.66 0.00 0.00 57.16 57.94 1whb n GLU 88 Cb 0.49 -1.30 0.02 0.00 0.27 0.00 0.00 31.44 30.91 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1whb s TYR 89 N -2.67 2.15 -0.02 4.31 1.51 -0.69 -4.13 117.35 117.81 1whb s TYR 89 Ca -0.27 -0.59 -0.10 0.00 -1.01 0.00 0.00 57.07 55.10 1whb s TYR 89 Cb 0.06 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1whb s TYR 89 CO 0.38 -0.62 0.20 0.08 -1.11 0.00 0.00 175.55 174.48 1whb s VAL 90 N -2.54 0.06 0.04 0.71 1.01 -1.26 -4.03 120.40 114.38 1whb s VAL 90 Ca 0.53 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1whb s VAL 90 Cb -0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1whb s VAL 90 CO 0.32 -0.28 0.02 -0.69 0.00 0.00 0.00 175.10 174.47 1whb s VAL 91 N -1.09 0.16 0.42 2.92 1.01 -0.56 -2.77 120.40 120.49 1whb s VAL 91 Ca -0.12 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.62 1whb s VAL 91 Cb -0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1whb s VAL 91 CO 0.02 -0.71 0.12 -0.76 0.00 0.00 0.00 175.10 173.77 1whb s LEU 92 N -2.20 2.03 0.31 3.92 1.43 0.75 -3.20 118.68 121.71 1whb s LEU 92 Ca -0.04 -1.68 0.03 0.00 -1.03 0.00 0.00 54.13 51.41 1whb s LEU 92 Cb -0.01 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 1whb s LEU 92 CO -0.05 -0.93 0.13 -0.76 0.23 0.00 0.00 176.35 174.97 1whb s LEU 93 N -3.64 1.76 0.00 1.79 1.43 -0.96 -2.03 118.68 117.03 1whb s LEU 93 Ca 0.22 -1.52 -0.26 0.00 -1.03 0.00 0.00 54.13 51.53 1whb s LEU 93 Cb 0.02 0.07 0.09 0.00 0.03 0.00 0.00 46.19 46.40 1whb s LEU 93 CO 0.13 -0.84 1.21 -0.90 0.23 0.00 0.00 176.35 176.18 1whb n ASP 94 N -0.87 -1.37 -0.07 2.29 5.68 -1.26 -4.03 116.55 116.91 1whb n ASP 94 Ca -0.00 -1.46 -0.14 0.00 -0.50 0.00 0.00 54.79 52.69 1whb n ASP 94 Cb 0.65 2.17 -0.14 0.00 -1.14 0.00 0.00 41.12 42.66 1whb n ASP 94 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1whb n TRP 95 N -0.86 0.48 0.00 2.11 5.03 -1.26 0.10 117.44 123.03 1whb n TRP 95 Ca 0.02 0.14 0.00 0.00 3.03 0.00 0.00 57.50 60.69 1whb n TRP 95 Cb 0.58 -1.08 0.00 0.00 -1.03 0.00 0.00 31.31 29.79 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 -3.09 -0.70 -1.68 -5.99 3.72 -1.19 -4.35 117.46 104.18 1whb n PHE 96 Ca -0.32 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.58 1whb n PHE 96 Cb 1.07 0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 39.70 1whb n PHE 96 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1whb n SER 97 N -1.72 3.06 -4.98 4.37 3.41 -1.26 -4.62 113.62 111.88 1whb n SER 97 Ca 0.00 1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 59.40 1whb n SER 97 Cb 0.00 -1.33 0.04 0.00 -0.26 0.00 0.00 64.21 62.66 1whb n SER 97 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whb s SER 98 N 3.07 4.82 0.48 4.04 0.01 -1.26 -4.82 113.70 120.03 1whb s SER 98 Ca 0.90 -1.10 0.21 0.00 1.31 0.00 0.00 55.95 57.27 1whb s SER 98 Cb -0.77 0.52 1.20 0.00 0.21 0.00 0.00 66.02 67.17 1whb s SER 98 CO 0.51 -1.32 2.00 0.00 0.41 0.00 0.00 173.24 174.84 1whb h ALA 99 N 0.37 1.40 0.00 1.44 0.00 -1.88 -2.30 119.26 118.30 1whb h ALA 99 Ca -0.32 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1whb h ALA 99 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1whb h ALA 99 CO 0.48 0.22 -0.91 1.57 0.00 0.00 0.00 179.25 180.61 1whb h LYS 100 N 0.00 0.00 -0.69 0.00 2.10 -1.95 -3.28 116.57 112.76 1whb h LYS 100 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1whb h LYS 100 Cb 0.40 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1whb h LYS 100 CO 0.02 0.38 0.01 -0.25 -2.00 0.00 0.00 179.45 177.61 1whb n ASP 101 N -3.05 4.56 -4.69 7.07 8.00 -0.88 -4.94 116.55 122.62 1whb n ASP 101 Ca -0.03 -2.71 -0.42 0.00 0.71 0.00 0.00 54.79 52.34 1whb n ASP 101 Cb 0.77 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1whb n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1whb s LEU 102 N -2.08 4.32 0.45 0.64 1.43 -1.10 -4.69 118.68 117.65 1whb s LEU 102 Ca 0.41 2.16 0.05 0.00 -1.03 0.00 0.00 54.13 55.72 1whb s LEU 102 Cb 0.31 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1whb s LEU 102 CO 0.12 -0.75 0.11 -1.10 0.23 0.00 0.00 176.35 174.96 1whb s GLN 103 N 2.54 2.14 -0.50 1.70 -0.21 -1.26 -5.05 119.66 119.01 1whb s GLN 103 Ca 0.65 -2.09 -0.28 0.00 0.02 0.00 0.00 55.36 53.66 1whb s GLN 103 Cb -0.32 -1.78 0.01 0.00 1.00 0.00 0.00 33.01 31.92 1whb s GLN 103 CO 0.27 -0.23 1.40 0.96 -2.12 0.00 0.00 175.29 175.57 1whb s ILE 104 N -2.73 3.85 0.00 1.08 -4.36 -1.26 -3.19 121.20 114.59 1whb s ILE 104 Ca 0.29 0.79 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 1whb s ILE 104 Cb 0.04 -4.37 0.00 0.00 1.25 0.00 0.00 42.46 39.39 1whb s ILE 104 CO 0.16 -1.01 0.00 0.61 0.24 0.00 0.00 174.94 174.93 1whb n GLY 105 N 5.17 1.98 2.92 6.27 0.00 -1.26 -5.13 105.19 115.15 1whb n GLY 105 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1whb n GLY 105 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1whb n THR 106 N -0.67 0.00 -0.05 2.61 -2.24 -1.19 -4.91 114.28 107.83 1whb n THR 106 Ca 0.00 -1.45 -0.15 0.00 -2.27 0.00 0.00 64.05 60.18 1whb n THR 106 Cb 0.00 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.46 1whb n THR 106 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1whb n THR 107 N -1.94 1.61 -0.02 4.28 -1.04 -1.26 -3.65 114.28 112.26 1whb n THR 107 Ca 0.12 -0.72 -0.16 0.00 -2.04 0.00 0.00 64.05 61.26 1whb n THR 107 Cb 0.45 -1.24 -0.11 0.00 -1.82 0.00 0.00 70.33 67.61 1whb n THR 107 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1whb h LEU 108 N 0.02 0.36 -0.80 -4.42 3.38 -1.94 -1.98 115.31 109.94 1whb h LEU 108 Ca -0.44 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 56.82 1whb h LEU 108 Cb 2.04 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.64 1whb h LEU 108 CO 0.04 1.03 0.51 -0.09 0.09 0.00 0.00 178.44 180.02 1whb h ARG 109 N -0.28 1.06 -0.35 1.13 2.43 -1.87 0.37 114.38 116.88 1whb h ARG 109 Ca -0.04 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.90 1whb h ARG 109 Cb 1.06 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1whb h ARG 109 CO 0.07 0.72 -0.38 0.66 -1.51 0.00 0.00 179.97 179.54 1whb h SER 110 N 1.08 0.88 -0.29 -3.80 4.64 -1.63 -1.08 113.55 113.36 1whb h SER 110 Ca 0.29 -0.40 -0.19 0.00 -0.47 0.00 0.00 61.79 61.03 1whb h SER 110 Cb -0.09 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.76 1whb h SER 110 CO -0.06 1.16 -0.56 0.25 -0.87 0.00 0.00 176.83 176.75 1whb h LEU 111 N 0.68 0.99 -0.94 5.97 5.85 -0.93 -0.42 115.31 126.51 1whb h LEU 111 Ca 0.06 -0.53 -0.11 0.00 0.84 0.00 0.00 57.88 58.13 1whb h LEU 111 Cb 0.95 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1whb h LEU 111 CO 0.09 1.34 -0.50 0.50 -0.34 0.00 0.00 178.44 179.52 1whb h LYS 112 N 0.67 0.07 0.00 1.25 3.64 -0.23 -2.91 116.57 119.07 1whb h LYS 112 Ca 0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1whb h LYS 112 Cb 1.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1whb h LYS 112 CO 0.12 0.56 -0.71 -0.44 -2.27 0.00 0.00 179.45 176.71 1whb h ASP 113 N 0.06 0.00 -0.37 4.20 5.19 -1.12 -3.24 116.42 121.13 1whb h ASP 113 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1whb h ASP 113 Cb 0.91 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 1whb h ASP 113 CO 0.07 0.41 0.00 0.00 -3.12 0.00 0.00 179.24 176.60 1whb n ALA 114 N -2.25 3.40 0.00 3.45 0.00 -0.18 0.92 120.51 125.86 1whb n ALA 114 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1whb n ALA 114 Cb 0.72 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.40 1.94 0.00 0.00 4.77 -1.17 -3.27 117.00 119.66 1whb n LEU 115 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1whb n LEU 115 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1whb n LEU 115 CO 0.21 0.30 -0.35 0.33 -1.33 0.00 0.00 177.39 176.55 1whb n PHE 116 N -2.39 0.00 -0.10 -1.77 7.35 -1.23 -4.22 117.46 115.11 1whb n PHE 116 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1whb n PHE 116 Cb 0.39 0.09 0.01 0.00 0.35 0.00 0.00 39.48 40.33 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 0.00 0.16 0.01 -4.13 3.64 -1.66 -3.29 116.57 111.30 1whb h LYS 117 Ca 0.00 -0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.01 1whb h LYS 117 Cb 0.70 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1whb h LYS 117 CO 0.00 0.11 -1.99 0.91 -2.27 0.00 0.00 179.45 176.21 1whb n TRP 118 N -5.11 0.54 -1.43 1.91 5.03 0.26 -5.02 117.44 113.62 1whb n TRP 118 Ca 0.01 0.20 0.19 0.00 3.03 0.00 0.00 57.50 60.93 1whb n TRP 118 Cb 0.16 -1.06 -0.05 0.00 -1.03 0.00 0.00 31.31 29.32 1whb n TRP 118 CO 0.00 0.00 0.00 -1.91 -0.03 0.00 0.00 177.69 175.75 1whb n GLU 119 N -4.12 -2.95 0.00 -0.99 2.13 -1.24 -4.97 120.64 108.49 1whb n GLU 119 Ca -0.43 2.04 0.00 0.00 0.66 0.00 0.00 57.16 59.43 1whb n GLU 119 Cb 0.84 -3.57 0.00 0.00 0.27 0.00 0.00 31.44 28.98 1whb n GLU 119 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1whb n SER 120 N -4.32 0.00 0.00 4.31 2.88 -1.26 -4.38 113.62 110.85 1whb n SER 120 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1whb n SER 120 Cb 0.67 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1whb n SER 120 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1whb n LYS 121 N -2.19 0.00 -2.33 -1.46 4.76 -1.26 -5.10 118.16 110.58 1whb n LYS 121 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1whb n LYS 121 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1whb n LYS 121 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1whb s THR 122 N -1.32 4.03 -0.11 -0.18 -4.23 -1.26 -5.00 115.64 107.57 1whb s THR 122 Ca 0.00 1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 61.65 1whb s THR 122 Cb 0.00 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1whb s THR 122 CO 0.00 -0.05 0.52 -0.69 -0.54 0.00 0.00 174.62 173.85 1whb s VAL 123 N 2.90 5.16 0.22 2.29 1.01 -1.26 -5.03 120.40 125.69 1whb s VAL 123 Ca 0.60 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1whb s VAL 123 Cb -0.27 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1whb s VAL 123 CO 0.22 0.30 0.39 -0.76 0.00 0.00 0.00 175.10 175.26 1whb s LEU 124 N 0.71 4.23 0.06 3.92 1.43 -1.26 -4.91 118.68 122.85 1whb s LEU 124 Ca 0.28 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.49 1whb s LEU 124 Cb -0.16 -3.10 -0.12 0.00 0.03 0.00 0.00 46.19 42.85 1whb s LEU 124 CO 0.11 -0.07 1.45 0.03 0.23 0.00 0.00 176.35 178.10 1whb h ARG 125 N 1.69 0.34 -4.89 1.70 2.47 -1.86 -3.47 114.38 110.36 1whb h ARG 125 Ca -0.49 -0.13 -0.45 0.00 -1.26 0.00 0.00 59.98 57.65 1whb h ARG 125 Cb 1.20 -0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 29.37 1whb h ARG 125 CO 0.66 0.60 -0.53 0.54 0.56 0.00 0.00 179.97 181.81 1whb s ASN 126 N -5.93 1.69 0.13 7.04 2.20 -1.26 -5.12 114.94 113.69 1whb s ASN 126 Ca -0.14 -1.65 -0.30 0.00 -0.94 0.00 0.00 52.86 49.83 1whb s ASN 126 Cb 0.06 0.48 -0.06 0.00 -2.00 0.00 0.00 41.25 39.73 1whb s ASN 126 CO 0.73 -0.97 0.99 -0.70 -2.94 0.00 0.00 177.10 174.22 1whb s GLU 127 N -3.67 4.69 0.35 3.55 2.12 -1.26 -4.92 118.70 119.56 1whb s GLU 127 Ca 0.36 1.51 -0.27 0.00 0.36 0.00 0.00 54.97 56.93 1whb s GLU 127 Cb 0.04 -3.35 -0.12 0.00 0.26 0.00 0.00 34.13 30.95 1whb s GLU 127 CO 0.21 0.21 1.16 -2.30 -0.54 0.00 0.00 175.26 174.00 1whb n PRO 128 N 2.60 1.77 -4.41 4.30 -0.02 -1.26 -4.83 135.00 133.14 1whb n PRO 128 Ca 0.02 0.62 -0.25 0.00 -2.02 0.00 0.00 63.50 61.87 1whb n PRO 128 Cb 0.48 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.58 2.63 -0.07 2.45 1.43 -1.12 -4.92 118.68 118.52 1whb s LEU 129 Ca 0.58 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1whb s LEU 129 Cb -0.60 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1whb s LEU 129 CO 0.60 0.08 -0.15 0.54 0.23 0.00 0.00 176.35 177.65 1whb s VAL 130 N -2.07 3.01 0.58 -1.59 0.11 -1.26 -0.18 120.40 119.01 1whb s VAL 130 Ca 0.26 -0.73 -0.20 0.00 -2.93 0.00 0.00 61.98 58.38 1whb s VAL 130 Cb -0.07 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 1whb s VAL 130 CO 0.13 0.57 1.30 -0.11 -3.33 0.00 0.00 175.10 173.67 1whb n LEU 131 N 2.62 5.54 -4.59 2.54 7.94 -0.86 -2.02 117.00 128.18 1whb n LEU 131 Ca -0.17 0.92 -0.42 0.00 -1.11 0.00 0.00 56.01 55.22 1whb n LEU 131 Cb 0.52 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 1whb n LEU 131 CO 0.27 -0.83 1.35 -0.70 -1.11 0.00 0.00 177.39 176.36 1whb s GLU 132 N -3.03 3.35 0.00 1.96 -6.30 -0.31 -3.22 118.70 111.14 1whb s GLU 132 Ca 0.76 0.88 0.00 0.00 -2.50 0.00 0.00 54.97 54.11 1whb s GLU 132 Cb -0.41 -4.13 0.00 0.00 0.00 0.00 0.00 34.13 29.60 1whb s GLU 132 CO 0.46 -1.85 0.00 0.41 0.02 0.00 0.00 175.26 174.30 1whb n GLY 133 N 5.27 2.82 0.88 -1.50 0.00 -1.26 -4.73 105.19 106.67 1whb n GLY 133 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.86 0.31 -0.02 0.00 -1.20 -3.19 105.19 99.22 1whb n GLY 134 Ca 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.74 -0.28 1.61 3.20 0.35 0.67 116.97 123.27 1whb h TYR 135 Ca 0.00 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1whb h TYR 135 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1whb h TYR 135 CO 0.00 0.57 0.19 1.49 -1.64 0.00 0.00 178.16 178.77 1whb h GLU 136 N 0.74 0.25 0.01 1.82 4.57 -1.76 -1.87 114.58 118.35 1whb h GLU 136 Ca 0.18 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 58.04 1whb h GLU 136 Cb 0.13 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1whb h GLU 136 CO -0.02 0.16 -1.81 -1.71 -1.18 0.00 0.00 179.01 174.46 1whb n ASN 137 N -4.49 0.89 -0.35 1.04 2.85 -0.74 -4.07 115.26 110.38 1whb n ASN 137 Ca 0.02 0.35 -0.02 0.00 -0.11 0.00 0.00 54.58 54.83 1whb n ASN 137 Cb 0.17 -0.02 0.13 0.00 1.24 0.00 0.00 39.78 41.30 1whb n ASN 137 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 1whb h TRP 138 N 0.01 1.22 -0.23 1.20 2.91 -0.24 -1.65 115.95 119.16 1whb h TRP 138 Ca -0.33 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.67 1whb h TRP 138 Cb 2.04 -0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 30.26 1whb h TRP 138 CO 0.01 0.77 -0.10 -0.07 -1.03 0.00 0.00 178.44 178.02 1whb h LEU 139 N 1.31 0.34 -0.76 0.65 3.38 -1.52 0.77 115.31 119.48 1whb h LEU 139 Ca 0.35 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 1whb h LEU 139 Cb -0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1whb h LEU 139 CO -0.08 0.48 -0.61 -0.07 0.09 0.00 0.00 178.44 178.26 1whb h LEU 140 N 0.34 0.04 0.00 1.67 3.38 -1.47 -2.70 115.31 116.58 1whb h LEU 140 Ca 0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1whb h LEU 140 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1whb h LEU 140 CO 0.02 0.64 -0.71 0.00 0.09 0.00 0.00 178.44 178.48 1whb n TYR 142 N -4.57 2.22 0.16 0.00 4.02 0.26 -4.92 117.16 114.33 1whb n TYR 142 Ca -0.13 -4.05 0.01 0.00 -0.01 0.00 0.00 57.90 53.73 1whb n TYR 142 Cb 0.37 -0.41 0.25 0.00 -0.02 0.00 0.00 39.34 39.53 1whb n TYR 142 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1whb h PRO 143 N 5.29 0.00 0.00 -0.72 0.13 -1.58 -2.92 132.00 132.20 1whb h PRO 143 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1whb h PRO 143 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1whb h PRO 143 CO 0.64 0.51 -0.19 -0.56 -0.23 0.00 0.00 178.00 178.17 1whb h GLN 144 N 0.00 0.00 -1.92 0.86 3.07 -1.91 -3.21 115.11 111.99 1whb h GLN 144 Ca -0.01 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.25 1whb h GLN 144 Cb 0.96 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.34 1whb h GLN 144 CO 0.07 0.19 0.41 0.98 0.09 0.00 0.00 178.83 180.57 1whb n TYR 145 N -3.37 1.63 -3.56 0.06 4.19 -1.10 -4.87 117.16 110.14 1whb n TYR 145 Ca 0.00 -1.96 -0.14 0.00 3.31 0.00 0.00 57.90 59.10 1whb n TYR 145 Cb 0.41 -1.33 -0.05 0.00 0.49 0.00 0.00 39.34 38.86 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 -2.32 0.02 0.24 2.97 -4.23 -1.21 -3.84 115.64 107.27 1whb s THR 146 Ca 0.56 -0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1whb s THR 146 Cb 0.37 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 1whb s THR 146 CO -0.20 -0.10 1.59 0.71 -0.54 0.00 0.00 174.62 176.09 1whb h THR 147 N 2.79 1.34 -3.30 3.99 1.35 -1.47 -3.43 112.91 114.19 1whb h THR 147 Ca -0.30 -1.78 -0.38 0.00 -0.55 0.00 0.00 66.41 63.40 1whb h THR 147 Cb 1.21 1.83 -0.39 0.00 -1.73 0.00 0.00 68.15 69.07 1whb h THR 147 CO 0.40 0.53 -0.75 0.21 -0.25 0.00 0.00 175.52 175.67 1whb s ASN 148 N -6.89 1.21 -0.18 5.36 2.47 -1.26 -4.99 114.94 110.67 1whb s ASN 148 Ca -0.05 0.04 0.08 0.00 0.42 0.00 0.00 52.86 53.35 1whb s ASN 148 Cb 0.12 -0.22 -0.16 0.00 -1.45 0.00 0.00 41.25 39.54 1whb s ASN 148 CO 0.80 -0.23 -0.06 0.00 -3.72 0.00 0.00 177.10 173.89 1whb n ALA 149 N 5.21 1.59 -1.89 1.71 0.00 -1.26 -4.59 120.51 121.28 1whb n ALA 149 Ca -0.05 -0.96 -0.27 0.00 0.00 0.00 0.00 53.44 52.16 1whb n ALA 149 Cb 0.50 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1whb n ALA 149 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1whb n LYS 150 N -2.82 1.31 -4.01 0.00 2.85 -1.26 -4.85 118.16 109.37 1whb n LYS 150 Ca -0.30 -2.27 -0.17 0.00 -1.05 0.00 0.00 58.31 54.51 1whb n LYS 150 Cb 0.95 -3.69 -0.16 0.00 -0.65 0.00 0.00 35.03 31.48 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1whb s VAL 151 N 11.69 0.29 -0.19 0.58 -7.23 -1.26 -5.03 120.40 119.24 1whb s VAL 151 Ca 0.70 -0.00 0.16 0.00 -1.81 0.00 0.00 61.98 61.03 1whb s VAL 151 Cb -0.00 -0.35 -0.24 0.00 0.56 0.00 0.00 36.38 36.35 1whb s VAL 151 CO 0.15 0.16 0.08 -1.20 -0.31 0.00 0.00 175.10 173.98 1whb n SER 152 N 3.97 0.25 0.00 4.85 7.64 -1.26 -5.03 113.62 124.04 1whb n SER 152 Ca -0.25 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1whb n SER 152 Cb 0.51 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 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 1.79 1.40 3.56 0.23 0.00 -1.26 -5.06 105.19 105.85 1whb n GLY 153 Ca -0.33 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 2.47 -0.19 1.61 0.04 -1.26 -4.70 135.00 132.97 1whb s PRO 154 Ca 0.00 0.08 0.20 0.00 0.04 0.00 0.00 61.00 61.32 1whb s PRO 154 Cb 0.00 -4.84 0.47 0.00 0.04 0.00 0.00 34.50 30.17 1whb s PRO 154 CO 0.00 -3.30 1.15 0.45 0.04 0.00 0.00 177.00 175.34 1whb n SER 155 N 14.17 2.03 -4.97 6.66 2.88 -1.26 -5.07 113.62 128.05 1whb n SER 155 Ca 0.35 -2.54 -0.21 0.00 -1.33 0.00 0.00 58.87 55.14 1whb n SER 155 Cb 0.48 -0.41 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 1whb n SER 155 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whb s SER 156 N -3.20 6.26 0.00 -3.46 0.01 -1.26 -5.32 113.70 106.72 1whb s SER 156 Ca 0.35 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1whb s SER 156 Cb 0.36 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1whb s SER 156 CO -0.07 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.06