#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 1.97 -4.35 1.61 3.41 -1.26 -4.85 113.62 110.15 1whb n SER 2 Ca 0.00 0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 1whb n SER 2 Cb 0.00 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.17 1whb n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whb s SER 3 N -7.10 5.92 0.00 4.04 0.15 -1.26 -4.94 113.70 110.51 1whb s SER 3 Ca -0.36 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1whb s SER 3 Cb 0.12 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1whb s SER 3 CO 0.55 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1whb n GLY 4 N 5.08 2.32 2.67 9.45 0.00 -1.26 -5.11 105.19 118.33 1whb n GLY 4 Ca -0.11 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -2.70 -4.47 1.61 7.64 -1.26 -5.08 113.62 109.36 1whb n SER 5 Ca 0.00 -2.81 -0.44 0.00 1.01 0.00 0.00 58.87 56.63 1whb n SER 5 Cb 0.00 1.20 -0.02 0.00 -1.01 0.00 0.00 64.21 64.38 1whb n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whb s SER 6 N 0.51 6.79 0.00 6.43 0.01 -1.26 -4.87 113.70 121.31 1whb s SER 6 Ca 0.31 -2.36 0.00 0.00 1.31 0.00 0.00 55.95 55.21 1whb s SER 6 Cb 0.02 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1whb s SER 6 CO -0.10 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1whb n GLY 7 N 5.11 0.33 3.38 3.44 0.00 -1.26 -4.98 105.19 111.21 1whb n GLY 7 Ca 0.30 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1whb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whb s LYS 8 N 0.00 3.38 -0.83 1.61 3.01 -1.26 -5.05 119.74 120.59 1whb s LYS 8 Ca 0.00 -0.68 -0.25 0.00 -1.01 0.00 0.00 55.97 54.03 1whb s LYS 8 Cb 0.00 -2.64 -0.04 0.00 -1.01 0.00 0.00 37.83 34.14 1whb s LYS 8 CO 0.00 0.23 1.93 0.00 0.51 0.00 0.00 175.35 178.02 1whb n GLU 10 N 8.93 0.42 -4.29 0.00 2.13 -1.26 -5.00 120.64 121.58 1whb n GLU 10 Ca 0.36 0.13 -0.35 0.00 0.66 0.00 0.00 57.16 57.97 1whb n GLU 10 Cb 0.48 -1.28 -0.09 0.00 0.27 0.00 0.00 31.44 30.83 1whb n GLU 10 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1whb s THR 11 N -2.35 4.43 -0.12 6.31 -4.23 -1.26 -5.00 115.64 113.41 1whb s THR 11 Ca -0.25 -0.28 0.09 0.00 -1.18 0.00 0.00 61.69 60.07 1whb s THR 11 Cb 0.08 -2.90 -0.14 0.00 1.34 0.00 0.00 72.50 70.88 1whb s THR 11 CO 0.38 0.55 0.01 2.29 -0.54 0.00 0.00 174.62 177.31 1whb n LYS 12 N 1.92 1.79 -3.64 3.99 2.85 -1.26 -5.04 118.16 118.77 1whb n LYS 12 Ca -0.18 0.01 -0.06 0.00 -1.05 0.00 0.00 58.31 57.03 1whb n LYS 12 Cb 0.53 -1.31 -0.07 0.00 -0.65 0.00 0.00 35.03 33.54 1whb n LYS 12 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1whb s GLU 13 N -2.29 0.47 -0.26 -1.58 2.02 -1.26 -5.06 118.70 110.73 1whb s GLU 13 Ca -0.08 0.66 -0.02 0.00 0.02 0.00 0.00 54.97 55.54 1whb s GLU 13 Cb 0.04 0.17 -0.15 0.00 0.10 0.00 0.00 34.13 34.29 1whb s GLU 13 CO 0.47 -0.07 -0.26 1.63 0.02 0.00 0.00 175.26 177.05 1whb n LYS 14 N 2.91 0.62 -3.18 1.61 5.02 -1.26 -4.95 118.16 118.93 1whb n LYS 14 Ca -0.15 0.18 0.02 0.00 -2.02 0.00 0.00 58.31 56.33 1whb n LYS 14 Cb 0.57 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1whb n LYS 14 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1whb s GLY 15 N -6.19 -1.17 -0.08 0.72 0.00 -1.26 -5.08 107.32 94.26 1whb s GLY 15 Ca -0.35 0.77 -0.03 0.00 0.00 0.00 0.00 44.72 45.11 1whb s GLY 15 CO 0.56 3.60 0.17 0.00 0.00 0.00 0.00 173.10 177.42 1whb s ALA 16 N 2.59 -0.31 0.02 3.20 0.00 -1.26 -4.01 121.76 121.99 1whb s ALA 16 Ca 0.11 0.73 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1whb s ALA 16 Cb -0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1whb s ALA 16 CO -0.23 -0.26 -0.25 -1.50 0.00 0.00 0.00 175.76 173.52 1whb s ILE 17 N 1.44 2.18 0.43 0.00 2.07 -0.76 -4.94 121.20 121.63 1whb s ILE 17 Ca -0.07 -1.29 0.06 0.00 -1.41 0.00 0.00 60.65 57.95 1whb s ILE 17 Cb -0.11 -1.83 0.01 0.00 0.13 0.00 0.00 42.46 40.66 1whb s ILE 17 CO -0.07 0.43 0.59 0.42 -1.91 0.00 0.00 174.94 174.40 1whb s THR 18 N -0.76 3.16 0.30 4.00 -4.23 -1.26 -1.20 115.64 115.64 1whb s THR 18 Ca 0.11 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1whb s THR 18 Cb -0.10 -3.08 0.16 0.00 1.34 0.00 0.00 72.50 70.81 1whb s THR 18 CO 0.01 -0.04 1.84 0.00 -0.54 0.00 0.00 174.62 175.90 1whb h ALA 19 N 0.58 1.27 -0.44 3.99 0.00 -1.96 -1.57 119.26 121.13 1whb h ALA 19 Ca -0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1whb h ALA 19 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1whb h ALA 19 CO 0.48 0.50 0.16 -0.22 0.00 0.00 0.00 179.25 180.17 1whb h LYS 20 N 0.69 0.67 -0.50 0.00 3.11 -2.00 -2.39 116.57 116.15 1whb h LYS 20 Ca 0.15 -0.13 -0.11 0.00 -2.81 0.00 0.00 60.65 57.75 1whb h LYS 20 Cb 0.30 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 1whb h LYS 20 CO 0.00 0.63 -0.14 0.93 -2.81 0.00 0.00 179.45 178.07 1whb h GLU 21 N 0.57 0.96 -0.26 1.90 5.08 -1.90 -2.74 114.58 118.20 1whb h GLU 21 Ca 0.15 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1whb h GLU 21 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1whb h GLU 21 CO -0.01 1.03 0.16 1.25 -1.00 0.00 0.00 179.01 180.44 1whb h LEU 22 N 0.85 0.30 -0.32 1.33 5.85 -1.10 -1.88 115.31 120.34 1whb h LEU 22 Ca 0.13 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 1whb h LEU 22 Cb 0.69 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1whb h LEU 22 CO 0.05 0.22 -0.60 0.22 -0.34 0.00 0.00 178.44 177.99 1whb h TYR 23 N 0.35 0.98 0.05 1.25 5.03 -1.14 -2.03 116.97 121.46 1whb h TYR 23 Ca 0.09 -0.37 -0.00 0.00 2.58 0.00 0.00 58.73 61.03 1whb h TYR 23 Cb -0.03 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.08 1whb h TYR 23 CO 0.00 1.18 -0.03 1.15 -1.32 0.00 0.00 178.16 179.14 1whb h THR 24 N 0.58 1.08 -0.14 1.81 2.02 -1.14 -1.52 112.91 115.60 1whb h THR 24 Ca -0.00 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1whb h THR 24 Cb 1.20 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1whb h THR 24 CO 0.13 0.11 -0.10 0.24 0.37 0.00 0.00 175.52 176.27 1whb h MET 25 N -0.27 0.21 0.05 6.66 2.86 -1.43 0.11 114.93 123.13 1whb h MET 25 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1whb h MET 25 Cb 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1whb h MET 25 CO 0.01 0.32 -0.02 0.52 1.06 0.00 0.00 176.91 178.80 1whb h MET 26 N 0.21 -0.07 -0.06 1.72 2.07 -1.13 -3.12 114.93 114.55 1whb h MET 26 Ca 0.04 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.58 1whb h MET 26 Cb 0.31 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.04 1whb h MET 26 CO 0.02 0.27 -0.42 1.79 1.07 0.00 0.00 176.91 179.63 1whb h THR 27 N -0.40 1.31 -4.12 2.22 1.35 -1.09 -3.44 112.91 108.73 1whb h THR 27 Ca -0.01 -1.51 -0.55 0.00 -0.55 0.00 0.00 66.41 63.79 1whb h THR 27 Cb 0.36 1.73 0.16 0.00 -1.73 0.00 0.00 68.15 68.67 1whb h THR 27 CO 0.01 0.44 0.50 -0.62 -0.25 0.00 0.00 175.52 175.60 1whb s ASP 28 N -6.89 4.54 -0.13 5.36 -1.08 0.01 -4.96 116.67 113.51 1whb s ASP 28 Ca -0.04 2.59 0.02 0.00 -0.52 0.00 0.00 52.55 54.60 1whb s ASP 28 Cb 0.14 -2.61 -0.09 0.00 -1.46 0.00 0.00 42.92 38.89 1whb s ASP 28 CO 0.76 -2.05 -0.11 0.29 0.52 0.00 0.00 175.17 174.58 1whb n LYS 29 N -2.02 0.47 0.23 4.34 5.02 -1.26 -4.55 118.16 120.38 1whb n LYS 29 Ca 0.16 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.59 1whb n LYS 29 Cb 0.48 -1.27 0.61 0.00 -0.02 0.00 0.00 35.03 34.84 1whb n LYS 29 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1whb h ASN 30 N 0.00 0.06 -3.26 4.39 -1.24 -1.95 -3.39 115.58 110.19 1whb h ASN 30 Ca -0.30 -0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.04 1whb h ASN 30 Cb 1.48 -0.01 -0.32 0.00 0.73 0.00 0.00 38.32 40.20 1whb h ASN 30 CO -0.04 0.04 -0.84 -0.63 -1.29 0.00 0.00 177.43 174.67 1whb s ILE 31 N -5.12 2.37 0.88 2.57 1.01 -1.26 -4.98 121.20 116.66 1whb s ILE 31 Ca -0.05 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1whb s ILE 31 Cb 0.17 -1.97 0.19 0.00 0.01 0.00 0.00 42.46 40.86 1whb s ILE 31 CO 0.68 0.53 1.20 -1.20 0.00 0.00 0.00 174.94 176.15 1whb n SER 32 N 3.97 0.69 -3.64 3.58 7.64 -1.26 -4.72 113.62 119.88 1whb n SER 32 Ca -0.19 -1.80 -0.07 0.00 1.01 0.00 0.00 58.87 57.82 1whb n SER 32 Cb 0.52 -0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1whb n SER 32 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1whb s LEU 33 N 0.00 -0.53 -0.18 -3.43 2.96 -1.26 -3.29 118.68 112.96 1whb s LEU 33 Ca 0.72 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1whb s LEU 33 Cb -0.03 1.90 0.04 0.00 0.50 0.00 0.00 46.19 48.60 1whb s LEU 33 CO 0.50 -0.15 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.66 1whb s ILE 34 N 0.78 1.34 0.32 6.68 1.01 -1.15 -4.99 121.20 125.18 1whb s ILE 34 Ca -0.03 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1whb s ILE 34 Cb -0.04 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 1whb s ILE 34 CO -0.10 0.17 0.65 -0.63 0.00 0.00 0.00 174.94 175.02 1whb s ILE 35 N 1.54 4.88 -0.02 2.92 1.01 -1.25 -1.01 121.20 129.27 1whb s ILE 35 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1whb s ILE 35 Cb -0.15 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 1whb s ILE 35 CO -0.08 -0.31 -0.08 -0.04 0.00 0.00 0.00 174.94 174.42 1whb s MET 36 N -3.42 0.77 -0.68 2.79 -1.94 -0.67 0.11 119.30 116.27 1whb s MET 36 Ca 0.48 -0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 54.07 1whb s MET 36 Cb -0.11 -0.74 0.17 0.00 2.01 0.00 0.00 34.83 36.17 1whb s MET 36 CO 0.27 0.13 0.59 -0.51 -0.01 0.00 0.00 175.02 175.49 1whb s ASP 37 N 0.04 6.20 -1.19 3.03 1.01 -0.81 -0.25 116.67 124.69 1whb s ASP 37 Ca -0.00 -2.42 -0.11 0.00 0.71 0.00 0.00 52.55 50.73 1whb s ASP 37 Cb -0.06 -2.11 0.21 0.00 1.01 0.00 0.00 42.92 41.97 1whb s ASP 37 CO -0.00 -0.61 1.44 0.00 0.21 0.00 0.00 175.17 176.21 1whb n ALA 38 N 4.28 4.35 0.13 5.23 0.00 -1.26 -2.56 120.51 130.68 1whb n ALA 38 Ca 0.04 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 49.07 1whb n ALA 38 Cb 0.43 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 4.21 0.00 -2.33 0.00 1.74 -1.25 -4.73 116.66 114.31 1whb n ARG 39 Ca 0.33 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.42 1whb n ARG 39 Cb 0.40 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 1whb n ARG 39 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1whb n ARG 40 N -3.41 0.01 0.01 5.56 1.74 -1.26 -4.04 116.66 115.26 1whb n ARG 40 Ca 0.00 -0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.77 1whb n ARG 40 Cb 0.00 0.19 -0.14 0.00 -1.02 0.00 0.00 32.46 31.50 1whb n ARG 40 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1whb n MET 41 N -0.17 0.76 0.12 5.56 1.56 -1.26 -3.91 117.12 119.77 1whb n MET 41 Ca 0.01 0.27 -0.02 0.00 -0.27 0.00 0.00 57.70 57.68 1whb n MET 41 Cb 0.10 -1.72 0.18 0.00 2.15 0.00 0.00 33.22 33.94 1whb n MET 41 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 1whb h GLN 42 N 0.07 0.12 -0.19 2.12 7.50 -1.99 -3.09 115.11 119.64 1whb h GLN 42 Ca -0.42 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 58.66 1whb h GLN 42 Cb 2.04 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 29.57 1whb h GLN 42 CO 0.09 0.64 0.11 -0.44 -1.50 0.00 0.00 178.83 177.74 1whb h ASP 43 N 0.09 0.23 -0.94 1.46 3.32 -1.92 -1.51 116.42 117.16 1whb h ASP 43 Ca -0.00 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1whb h ASP 43 Cb 1.01 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 1whb h ASP 43 CO 0.08 0.21 0.61 0.22 -1.72 0.00 0.00 179.24 178.65 1whb h TYR 44 N 0.22 1.18 -0.07 4.55 3.20 -1.67 0.15 116.97 124.53 1whb h TYR 44 Ca 0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1whb h TYR 44 Cb 0.03 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 1whb h TYR 44 CO -0.05 0.75 -0.28 1.96 -1.64 0.00 0.00 178.16 178.90 1whb h GLN 45 N 1.27 0.13 0.00 1.82 4.20 -1.40 -3.33 115.11 117.81 1whb h GLN 45 Ca 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1whb h GLN 45 Cb -0.14 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1whb h GLN 45 CO -0.07 0.41 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.04 1whb h ASP 46 N 0.12 0.00 -4.26 1.46 3.32 -0.33 -3.48 116.42 113.26 1whb h ASP 46 Ca 0.02 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.49 1whb h ASP 46 Cb 0.57 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.87 1whb h ASP 46 CO 0.04 0.13 -0.84 -0.94 -1.72 0.00 0.00 179.24 175.91 1whb s SER 47 N -3.67 2.52 -0.27 6.45 1.04 0.43 -4.74 113.70 115.46 1whb s SER 47 Ca -0.01 -0.56 -0.28 0.00 0.48 0.00 0.00 55.95 55.58 1whb s SER 47 Cb 0.00 -0.19 0.18 0.00 0.10 0.00 0.00 66.02 66.11 1whb s SER 47 CO 0.01 0.14 1.31 0.00 0.98 0.00 0.00 173.24 175.68 1whb s ILE 49 N -0.83 2.76 0.07 0.00 1.01 -1.26 -2.21 121.20 120.75 1whb s ILE 49 Ca 0.07 0.33 -0.36 0.00 0.00 0.00 0.00 60.65 60.69 1whb s ILE 49 Cb -0.02 -2.81 -0.19 0.00 0.01 0.00 0.00 42.46 39.46 1whb s ILE 49 CO -0.08 -0.24 1.59 -0.07 0.00 0.00 0.00 174.94 176.14 1whb h LEU 50 N -0.48 -1.09 -7.40 2.97 3.38 -1.89 -3.34 115.31 107.47 1whb h LEU 50 Ca -0.46 0.05 -0.74 0.00 0.09 0.00 0.00 57.88 56.82 1whb h LEU 50 Cb 1.27 0.31 -0.33 0.00 0.09 0.00 0.00 40.66 41.99 1whb h LEU 50 CO 0.51 -0.71 0.09 -1.00 0.09 0.00 0.00 178.44 177.42 1whb s HIS 51 N -5.99 4.03 0.27 1.13 3.76 -1.26 -5.00 115.29 112.23 1whb s HIS 51 Ca -0.19 -2.92 -0.05 0.00 -0.15 0.00 0.00 55.06 51.76 1whb s HIS 51 Cb 0.03 -3.44 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 1whb s HIS 51 CO 0.61 -0.81 0.37 -1.54 -0.85 0.00 0.00 174.74 172.52 1whb s SER 52 N 0.35 0.43 0.32 1.40 1.04 -1.25 -4.53 113.70 111.46 1whb s SER 52 Ca 0.28 -1.29 0.07 0.00 0.48 0.00 0.00 55.95 55.49 1whb s SER 52 Cb -0.08 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1whb s SER 52 CO -0.11 -1.11 0.25 -0.22 0.98 0.00 0.00 173.24 173.04 1whb s LEU 53 N -3.15 3.60 -0.11 2.42 2.96 0.29 -4.90 118.68 119.79 1whb s LEU 53 Ca 0.31 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1whb s LEU 53 Cb 0.02 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1whb s LEU 53 CO 0.15 -0.28 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.15 1whb s SER 54 N -3.94 2.84 -0.12 3.68 0.15 -1.26 -1.92 113.70 113.12 1whb s SER 54 Ca 0.39 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.48 1whb s SER 54 Cb -0.06 -1.30 0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1whb s SER 54 CO 0.26 0.09 0.09 0.54 1.20 0.00 0.00 173.24 175.42 1whb s VAL 55 N 0.65 -0.11 0.23 4.45 0.11 -1.06 -4.62 120.40 120.04 1whb s VAL 55 Ca -0.12 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1whb s VAL 55 Cb -0.16 -0.42 -0.10 0.00 -1.53 0.00 0.00 36.38 34.17 1whb s VAL 55 CO 0.03 -0.11 1.39 -2.16 -3.33 0.00 0.00 175.10 170.93 1whb s PRO 56 N 2.16 4.31 0.46 1.54 0.04 -1.26 -3.83 135.00 138.42 1whb s PRO 56 Ca 0.03 2.21 0.12 0.00 0.04 0.00 0.00 61.00 63.40 1whb s PRO 56 Cb -0.15 -3.14 1.04 0.00 0.04 0.00 0.00 34.50 32.30 1whb s PRO 56 CO -0.07 -0.36 2.08 1.49 0.04 0.00 0.00 177.00 180.18 1whb h GLU 57 N 5.17 0.24 -0.30 4.56 4.81 -1.83 -1.51 114.58 125.72 1whb h GLU 57 Ca -0.45 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1whb h GLU 57 Cb 1.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1whb h GLU 57 CO 0.78 0.19 0.20 1.49 -0.73 0.00 0.00 179.01 180.94 1whb h GLU 58 N 0.25 0.36 -0.01 1.92 4.81 -1.91 -1.41 114.58 118.59 1whb h GLU 58 Ca 0.07 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 1whb h GLU 58 Cb 0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1whb h GLU 58 CO -0.01 0.24 -0.78 0.00 -0.73 0.00 0.00 179.01 177.73 1whb h ALA 59 N 1.82 0.69 -2.70 2.92 0.00 -1.61 -3.44 119.26 116.94 1whb h ALA 59 Ca 0.11 -0.68 -0.53 0.00 0.00 0.00 0.00 54.91 53.81 1whb h ALA 59 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1whb h ALA 59 CO -0.02 0.91 0.18 0.42 0.00 0.00 0.00 179.25 180.74 1whb s ILE 60 N -3.31 4.47 0.02 0.00 1.01 -0.53 -4.59 121.20 118.27 1whb s ILE 60 Ca -0.02 1.70 -0.01 0.00 0.00 0.00 0.00 60.65 62.33 1whb s ILE 60 Cb 0.11 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1whb s ILE 60 CO 0.80 0.47 -0.01 -0.55 0.00 0.00 0.00 174.94 175.65 1whb s SER 61 N -0.78 0.21 -1.13 3.58 0.15 -1.26 -4.92 113.70 109.55 1whb s SER 61 Ca 0.37 -0.47 -0.24 0.00 0.70 0.00 0.00 55.95 56.32 1whb s SER 61 Cb -0.22 0.11 -0.11 0.00 -1.71 0.00 0.00 66.02 64.09 1whb s SER 61 CO 0.26 -0.31 1.97 -2.16 1.20 0.00 0.00 173.24 174.20 1whb s PRO 62 N -1.47 2.27 0.00 5.44 0.04 -1.26 -3.32 135.00 136.70 1whb s PRO 62 Ca -0.16 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 59.95 1whb s PRO 62 Cb -0.10 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1whb s PRO 62 CO -0.01 -4.18 0.00 0.41 0.04 0.00 0.00 177.00 173.27 1whb n GLY 63 N 5.99 0.47 3.34 0.56 0.00 -1.26 -5.05 105.19 109.24 1whb n GLY 63 Ca 0.44 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.07 0.50 1.61 -7.23 -1.21 -5.17 120.40 109.98 1whb s VAL 64 Ca 0.00 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 1whb s VAL 64 Cb 0.00 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.59 1whb s VAL 64 CO 0.00 -0.29 0.63 0.42 -0.31 0.00 0.00 175.10 175.55 1whb s THR 65 N -3.39 2.42 0.42 5.32 -4.23 -1.26 -4.45 115.64 110.47 1whb s THR 65 Ca 0.29 -1.09 0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1whb s THR 65 Cb 0.06 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.57 1whb s THR 65 CO 0.10 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.15 1whb h ALA 66 N 0.48 1.63 -0.08 3.99 0.00 -1.61 -2.08 119.26 121.59 1whb h ALA 66 Ca -0.35 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1whb h ALA 66 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1whb h ALA 66 CO 0.46 0.27 -0.30 0.77 0.00 0.00 0.00 179.25 180.45 1whb h SER 67 N 0.15 0.15 0.89 0.00 0.02 -1.90 -1.03 113.55 111.82 1whb h SER 67 Ca 0.03 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1whb h SER 67 Cb 0.30 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1whb h SER 67 CO 0.02 0.45 -0.43 -0.25 -1.14 0.00 0.00 176.83 175.48 1whb h TRP 68 N 0.13 -1.10 -0.53 3.45 2.91 -1.76 -2.04 115.95 117.01 1whb h TRP 68 Ca 0.02 -0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.95 1whb h TRP 68 Cb 0.61 0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 29.60 1whb h TRP 68 CO 0.01 -0.69 0.08 0.82 -1.03 0.00 0.00 178.44 177.63 1whb h ILE 69 N -1.21 1.23 -0.22 2.65 2.04 -1.58 -2.25 117.51 118.16 1whb h ILE 69 Ca -0.12 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1whb h ILE 69 Cb 0.91 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1whb h ILE 69 CO 0.20 0.33 0.18 -0.08 0.00 0.00 0.00 178.15 178.78 1whb h GLU 70 N 0.79 0.00 0.00 2.37 4.81 -1.11 -0.34 114.58 121.10 1whb h GLU 70 Ca 0.17 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.19 1whb h GLU 70 Cb 0.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1whb h GLU 70 CO 0.01 0.00 -1.09 0.00 -0.73 0.00 0.00 179.01 177.20 1whb h ALA 71 N 1.84 0.49 -3.11 2.92 0.00 -0.76 -3.40 119.26 117.24 1whb h ALA 71 Ca 0.11 -0.95 -0.70 0.00 0.00 0.00 0.00 54.91 53.36 1whb h ALA 71 Cb 0.47 -0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.91 1whb h ALA 71 CO -0.00 1.21 -0.30 -1.01 0.00 0.00 0.00 179.25 179.15 1whb s HIS 72 N -2.73 3.48 0.09 0.00 3.76 -0.14 -5.04 115.29 114.71 1whb s HIS 72 Ca 0.00 -2.73 -0.19 0.00 -0.15 0.00 0.00 55.06 52.00 1whb s HIS 72 Cb 0.09 -3.24 0.04 0.00 1.11 0.00 0.00 32.58 30.59 1whb s HIS 72 CO 0.81 -0.83 0.46 -0.51 -0.85 0.00 0.00 174.74 173.82 1whb s LEU 73 N -0.26 0.15 0.00 0.89 1.43 -1.25 -4.78 118.68 114.87 1whb s LEU 73 Ca 0.19 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1whb s LEU 73 Cb -0.18 1.99 0.00 0.00 0.03 0.00 0.00 46.19 48.03 1whb s LEU 73 CO -0.05 -0.79 0.00 -2.65 0.23 0.00 0.00 176.35 173.09 1whb n PRO 74 N 0.09 -0.05 -0.08 1.29 -0.02 -1.26 -4.82 135.00 130.14 1whb n PRO 74 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.21 1whb n PRO 74 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 1whb n PRO 74 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1whb h ASP 75 N -1.09 0.00 0.75 2.55 3.32 -2.00 -3.32 116.42 116.62 1whb h ASP 75 Ca 0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 1whb h ASP 75 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1whb h ASP 75 CO 0.00 0.95 -0.77 -0.78 -1.72 0.00 0.00 179.24 176.92 1whb h ASP 76 N -1.00 0.02 0.03 6.45 1.82 -2.01 -3.15 116.42 118.57 1whb h ASP 76 Ca -0.10 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 1whb h ASP 76 Cb 0.70 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1whb h ASP 76 CO -0.06 0.78 -0.10 -1.28 -1.61 0.00 0.00 179.24 176.96 1whb h SER 77 N 0.01 0.16 -0.13 2.28 0.87 -1.91 -2.07 113.55 112.76 1whb h SER 77 Ca -0.01 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1whb h SER 77 Cb 1.36 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1whb h SER 77 CO 0.10 0.29 0.09 0.11 -0.53 0.00 0.00 176.83 176.89 1whb h LYS 78 N 0.17 0.09 0.29 2.24 6.56 -1.64 -0.73 116.57 123.54 1whb h LYS 78 Ca 0.04 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1whb h LYS 78 Cb 0.29 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1whb h LYS 78 CO 0.02 0.06 -0.14 0.22 -2.06 0.00 0.00 179.45 177.55 1whb h ASP 79 N 0.09 -0.32 -0.53 0.86 1.82 -1.52 -2.12 116.42 114.69 1whb h ASP 79 Ca 0.06 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.49 1whb h ASP 79 Cb 0.12 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 1whb h ASP 79 CO -0.01 -0.02 0.17 0.74 -1.61 0.00 0.00 179.24 178.51 1whb h THR 80 N -0.65 1.23 -0.08 2.25 2.02 -1.54 -2.10 112.91 114.04 1whb h THR 80 Ca -0.04 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1whb h THR 80 Cb 0.46 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1whb h THR 80 CO 0.06 0.30 -0.05 -0.25 0.37 0.00 0.00 175.52 175.95 1whb h TRP 81 N 0.85 0.11 0.00 3.16 2.91 -1.09 -1.44 115.95 120.45 1whb h TRP 81 Ca 0.19 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.13 1whb h TRP 81 Cb 0.27 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 1whb h TRP 81 CO 0.02 0.17 -0.36 0.87 -1.03 0.00 0.00 178.44 178.11 1whb h LYS 82 N 0.11 0.00 -0.34 2.65 1.57 -0.71 -3.15 116.57 116.70 1whb h LYS 82 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1whb h LYS 82 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1whb h LYS 82 CO 0.01 0.36 0.00 1.63 -0.57 0.00 0.00 179.45 180.88 1whb n LYS 83 N -3.20 1.79 -0.25 3.15 5.02 -0.56 -4.25 118.16 119.87 1whb n LYS 83 Ca 0.02 -1.23 0.15 0.00 -2.02 0.00 0.00 58.31 55.24 1whb n LYS 83 Cb 0.67 -1.27 0.45 0.00 -0.02 0.00 0.00 35.03 34.86 1whb n LYS 83 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1whb h ARG 84 N 2.00 0.53 -0.28 1.97 2.43 -1.47 0.36 114.38 119.92 1whb h ARG 84 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1whb h ARG 84 Cb 0.46 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1whb h ARG 84 CO 0.00 0.35 0.00 0.41 -1.51 0.00 0.00 179.97 179.22 1whb n GLY 85 N -1.47 0.29 0.10 2.80 0.00 -1.25 -3.71 105.19 101.95 1whb n GLY 85 Ca 0.18 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 0.31 0.24 -3.91 1.61 2.85 0.13 -4.93 115.26 111.56 1whb n ASN 86 Ca 0.09 -0.01 -0.28 0.00 -0.11 0.00 0.00 54.58 54.27 1whb n ASN 86 Cb 0.23 0.88 0.19 0.00 1.24 0.00 0.00 39.78 42.33 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 -2.78 0.00 -0.06 3.44 0.24 -1.17 -4.98 118.33 113.02 1whb n VAL 87 Ca -0.33 -1.00 -0.06 0.00 -2.04 0.00 0.00 64.34 60.90 1whb n VAL 87 Cb 1.14 -1.47 -0.10 0.00 -1.47 0.00 0.00 33.84 31.93 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 -3.69 1.85 -4.18 7.34 4.71 -1.26 -4.58 120.64 120.83 1whb n GLU 88 Ca 0.16 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.16 57.20 1whb n GLU 88 Cb 0.57 -1.34 -0.10 0.00 -1.01 0.00 0.00 31.44 29.56 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 -2.32 0.93 -0.01 -0.32 2.02 -1.21 -3.86 117.35 112.58 1whb s TYR 89 Ca -0.06 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.74 1whb s TYR 89 Cb 0.04 -0.53 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 1whb s TYR 89 CO 0.54 -0.13 -0.02 0.08 -1.57 0.00 0.00 175.55 174.45 1whb s VAL 90 N -3.60 0.18 0.16 0.71 1.01 -1.26 -2.96 120.40 114.64 1whb s VAL 90 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1whb s VAL 90 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1whb s VAL 90 CO -0.04 0.07 -0.13 -0.69 0.00 0.00 0.00 175.10 174.31 1whb s VAL 91 N 0.19 1.44 0.50 2.92 1.01 -0.18 -1.80 120.40 124.49 1whb s VAL 91 Ca -0.02 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 59.97 1whb s VAL 91 Cb -0.04 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1whb s VAL 91 CO -0.01 -0.58 0.04 -0.76 0.00 0.00 0.00 175.10 173.79 1whb s LEU 92 N -2.98 2.13 0.32 3.92 1.43 -0.61 -1.67 118.68 121.23 1whb s LEU 92 Ca 0.16 -1.72 0.06 0.00 -1.03 0.00 0.00 54.13 51.60 1whb s LEU 92 Cb -0.01 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1whb s LEU 92 CO 0.04 -0.95 0.28 -0.76 0.23 0.00 0.00 176.35 175.19 1whb s LEU 93 N -3.84 1.66 -0.05 1.79 1.43 0.65 -3.05 118.68 117.26 1whb s LEU 93 Ca 0.05 -1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 51.14 1whb s LEU 93 Cb 0.00 0.61 0.10 0.00 0.03 0.00 0.00 46.19 46.94 1whb s LEU 93 CO 0.04 -1.06 1.33 1.51 0.23 0.00 0.00 176.35 178.39 1whb s ASP 94 N -3.35 -0.00 -0.24 2.29 -4.77 -1.26 -4.07 116.67 105.27 1whb s ASP 94 Ca 0.40 -0.12 -0.12 0.00 -3.30 0.00 0.00 52.55 49.41 1whb s ASP 94 Cb 0.02 0.09 -0.17 0.00 -1.09 0.00 0.00 42.92 41.78 1whb s ASP 94 CO 0.26 -0.18 -0.10 0.79 0.70 0.00 0.00 175.17 176.64 1whb n TRP 95 N -0.87 0.41 -2.93 2.11 5.03 -1.26 0.10 117.44 120.04 1whb n TRP 95 Ca 0.03 0.14 -0.13 0.00 3.03 0.00 0.00 57.50 60.57 1whb n TRP 95 Cb 0.59 -1.05 -0.01 0.00 -1.03 0.00 0.00 31.31 29.82 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 -4.00 -2.57 -3.81 -5.99 3.72 -1.25 -4.33 117.46 99.22 1whb n PHE 96 Ca -0.45 -2.22 -0.05 0.00 -0.05 0.00 0.00 57.45 54.68 1whb n PHE 96 Cb 0.88 0.99 -0.01 0.00 -0.94 0.00 0.00 39.48 40.40 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 -0.62 -0.17 0.35 4.37 1.04 -1.25 -5.09 113.70 112.32 1whb s SER 97 Ca 0.32 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 1whb s SER 97 Cb 0.13 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.90 1whb s SER 97 CO -0.16 -1.17 0.68 -0.44 0.98 0.00 0.00 173.24 173.13 1whb s SER 98 N -2.99 0.15 0.46 7.02 0.01 -1.26 -2.99 113.70 114.09 1whb s SER 98 Ca 0.13 -1.12 0.22 0.00 1.31 0.00 0.00 55.95 56.49 1whb s SER 98 Cb -0.04 0.77 1.11 0.00 0.21 0.00 0.00 66.02 68.08 1whb s SER 98 CO 0.05 -1.51 1.95 0.00 0.41 0.00 0.00 173.24 174.15 1whb h ALA 99 N 2.05 1.29 0.00 1.44 0.00 -1.83 -2.49 119.26 119.71 1whb h ALA 99 Ca -0.29 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1whb h ALA 99 Cb 1.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1whb h ALA 99 CO 0.37 0.27 -0.86 1.57 0.00 0.00 0.00 179.25 180.60 1whb h LYS 100 N 0.00 0.00 -0.65 0.00 2.10 -1.96 -3.25 116.57 112.81 1whb h LYS 100 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1whb h LYS 100 Cb 0.51 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1whb h LYS 100 CO 0.03 0.62 0.00 -0.25 -2.00 0.00 0.00 179.45 177.85 1whb n ASP 101 N -3.20 5.00 -4.55 7.07 9.92 -0.96 -4.89 116.55 124.93 1whb n ASP 101 Ca -0.01 -2.79 -0.37 0.00 -0.53 0.00 0.00 54.79 51.08 1whb n ASP 101 Cb 0.83 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 40.62 1whb n ASP 101 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1whb s LEU 102 N -2.33 3.26 0.62 0.64 1.43 -1.08 -4.73 118.68 116.49 1whb s LEU 102 Ca 0.46 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.58 1whb s LEU 102 Cb 0.35 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1whb s LEU 102 CO 0.13 -2.35 0.98 -1.10 0.23 0.00 0.00 176.35 174.24 1whb s GLN 103 N 6.88 3.23 -1.09 1.70 -0.21 -1.26 -4.93 119.66 123.98 1whb s GLN 103 Ca 0.64 0.42 -0.24 0.00 0.02 0.00 0.00 55.36 56.20 1whb s GLN 103 Cb -0.11 -2.15 -0.11 0.00 1.00 0.00 0.00 33.01 31.64 1whb s GLN 103 CO 0.17 -0.67 2.00 0.42 -2.12 0.00 0.00 175.29 175.08 1whb s ILE 104 N -3.12 3.41 0.00 1.08 1.09 -1.26 -2.66 121.20 119.73 1whb s ILE 104 Ca 0.54 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 59.49 1whb s ILE 104 Cb -0.11 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.02 1whb s ILE 104 CO 0.50 -0.76 0.00 0.61 -0.10 0.00 0.00 174.94 175.19 1whb n GLY 105 N 6.13 0.72 3.91 6.18 0.00 -1.26 -5.15 105.19 115.72 1whb n GLY 105 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.26 3.97 0.31 2.61 -4.23 -1.09 -4.93 115.64 111.03 1whb s THR 106 Ca 0.00 -1.19 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1whb s THR 106 Cb 0.00 -3.35 0.05 0.00 1.34 0.00 0.00 72.50 70.54 1whb s THR 106 CO 0.00 -0.20 1.73 0.74 -0.54 0.00 0.00 174.62 176.35 1whb h THR 107 N 1.12 1.31 0.06 3.99 2.02 -1.94 -1.73 112.91 117.74 1whb h THR 107 Ca -0.46 -1.49 -0.12 0.00 0.77 0.00 0.00 66.41 65.11 1whb h THR 107 Cb 1.25 1.71 0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1whb h THR 107 CO 0.57 0.44 -0.50 -0.07 0.37 0.00 0.00 175.52 176.32 1whb h LEU 108 N 0.14 0.33 -0.28 2.58 3.38 -1.92 -2.71 115.31 116.84 1whb h LEU 108 Ca 0.01 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1whb h LEU 108 Cb 0.79 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1whb h LEU 108 CO 0.06 1.20 0.18 -0.09 0.09 0.00 0.00 178.44 179.88 1whb h ARG 109 N -0.49 0.36 -0.51 1.13 2.43 -1.88 0.87 114.38 116.30 1whb h ARG 109 Ca -0.08 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1whb h ARG 109 Cb 1.33 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1whb h ARG 109 CO 0.10 0.24 0.11 0.66 -1.51 0.00 0.00 179.97 179.57 1whb h SER 110 N 0.37 0.73 0.15 -3.80 4.64 -1.44 0.26 113.55 114.47 1whb h SER 110 Ca 0.10 -0.13 -0.27 0.00 -0.47 0.00 0.00 61.79 61.02 1whb h SER 110 Cb -0.04 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1whb h SER 110 CO -0.03 0.72 -1.11 0.25 -0.87 0.00 0.00 176.83 175.80 1whb h LEU 111 N 0.75 0.80 -1.01 5.97 5.85 -1.10 -1.56 115.31 125.01 1whb h LEU 111 Ca 0.17 -0.69 -0.10 0.00 0.84 0.00 0.00 57.88 58.10 1whb h LEU 111 Cb 0.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1whb h LEU 111 CO -0.00 1.49 -0.41 0.50 -0.34 0.00 0.00 178.44 179.69 1whb h LYS 112 N 0.30 0.17 0.00 1.25 3.11 0.98 -2.87 116.57 119.51 1whb h LYS 112 Ca -0.14 -0.08 -0.13 0.00 -2.81 0.00 0.00 60.65 57.49 1whb h LYS 112 Cb 1.77 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.98 1whb h LYS 112 CO 0.21 0.55 -0.91 -0.44 -2.81 0.00 0.00 179.45 176.05 1whb h ASP 113 N 0.14 0.00 -0.22 4.20 3.32 -0.98 -3.27 116.42 119.61 1whb h ASP 113 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1whb h ASP 113 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1whb h ASP 113 CO 0.06 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 1whb n ALA 114 N -2.30 2.48 -0.03 3.45 0.00 -0.59 0.04 120.51 123.57 1whb n ALA 114 Ca -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1whb n ALA 114 Cb 0.78 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 0.18 0.14 0.01 0.00 4.77 -1.12 -3.37 117.00 117.61 1whb n LEU 115 Ca 0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1whb n LEU 115 Cb 0.22 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1whb n LEU 115 CO 0.07 0.16 -0.37 0.33 -1.33 0.00 0.00 177.39 176.25 1whb n PHE 116 N -2.23 -0.04 0.11 -1.77 7.35 -1.23 -4.82 117.46 114.82 1whb n PHE 116 Ca -0.09 0.01 -0.06 0.00 -0.76 0.00 0.00 57.45 56.55 1whb n PHE 116 Cb 0.68 0.09 -0.03 0.00 0.35 0.00 0.00 39.48 40.57 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 -0.32 -5.42 -4.13 3.64 -1.55 -3.31 116.57 105.48 1whb h LYS 117 Ca 0.00 0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 58.70 1whb h LYS 117 Cb 0.75 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.52 1whb h LYS 117 CO 0.00 -0.21 1.79 -1.58 -2.27 0.00 0.00 179.45 177.18 1whb s TRP 118 N -3.84 3.05 0.15 1.91 0.52 0.11 -4.98 118.94 115.86 1whb s TRP 118 Ca -0.05 -1.77 -0.08 0.00 0.02 0.00 0.00 56.10 54.21 1whb s TRP 118 Cb 0.01 -4.57 -0.06 0.00 -1.15 0.00 0.00 33.47 27.70 1whb s TRP 118 CO 0.17 -1.65 0.44 -2.00 0.02 0.00 0.00 176.95 173.94 1whb s GLU 119 N 3.20 3.74 0.00 4.98 2.12 -1.25 -3.61 118.70 127.89 1whb s GLU 119 Ca 0.48 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1whb s GLU 119 Cb 0.01 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1whb s GLU 119 CO 0.03 0.46 0.00 0.43 -0.54 0.00 0.00 175.26 175.64 1whb n SER 120 N 0.33 0.49 0.00 -1.70 7.64 -1.26 -5.00 113.62 114.12 1whb n SER 120 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1whb n SER 120 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1whb n SER 120 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1whb n LYS 121 N -2.41 0.00 -1.36 1.43 3.00 -1.26 -5.11 118.16 112.45 1whb n LYS 121 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1whb n LYS 121 Cb 0.18 -0.08 0.10 0.00 0.00 0.00 0.00 35.03 35.23 1whb n LYS 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1whb n THR 122 N -2.30 3.07 -3.96 3.15 -1.04 -1.26 -5.04 114.28 106.91 1whb n THR 122 Ca 0.00 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 61.53 1whb n THR 122 Cb 0.00 -1.24 -0.14 0.00 -1.82 0.00 0.00 70.33 67.13 1whb n THR 122 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1whb s VAL 123 N -1.82 0.13 0.05 12.58 1.01 -1.26 -4.97 120.40 126.12 1whb s VAL 123 Ca 0.76 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.77 1whb s VAL 123 Cb -0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1whb s VAL 123 CO 0.48 0.05 -0.24 -0.76 0.00 0.00 0.00 175.10 174.62 1whb s LEU 124 N 0.06 2.18 0.32 3.92 1.43 -1.26 -3.81 118.68 121.53 1whb s LEU 124 Ca -0.00 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1whb s LEU 124 Cb -0.02 -1.14 0.56 0.00 0.03 0.00 0.00 46.19 45.61 1whb s LEU 124 CO -0.00 0.21 1.82 0.03 0.23 0.00 0.00 176.35 178.63 1whb h ARG 125 N 4.72 0.46 0.00 1.70 2.47 -1.81 -3.46 114.38 118.46 1whb h ARG 125 Ca -0.45 -0.13 -0.23 0.00 -1.26 0.00 0.00 59.98 57.91 1whb h ARG 125 Cb 1.15 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.36 1whb h ARG 125 CO 0.43 0.58 -0.21 0.09 0.56 0.00 0.00 179.97 181.43 1whb n ASN 126 N -4.21 -0.46 -4.80 7.04 3.02 -1.25 -5.08 115.26 109.51 1whb n ASN 126 Ca 0.00 -2.12 -0.38 0.00 -0.03 0.00 0.00 54.58 52.06 1whb n ASN 126 Cb 0.31 1.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.42 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 -2.64 4.06 0.43 3.52 2.02 -1.26 -4.89 118.70 119.94 1whb s GLU 127 Ca 0.20 0.39 -0.26 0.00 0.02 0.00 0.00 54.97 55.32 1whb s GLU 127 Cb 0.01 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 1whb s GLU 127 CO 0.14 0.51 1.41 -1.25 0.02 0.00 0.00 175.26 176.09 1whb s PRO 128 N -0.48 3.80 0.03 0.39 0.04 -1.26 -4.75 135.00 132.76 1whb s PRO 128 Ca 0.23 2.39 0.07 0.00 0.04 0.00 0.00 61.00 63.74 1whb s PRO 128 Cb -0.16 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 1whb s PRO 128 CO 0.12 -0.72 -0.20 -0.51 0.04 0.00 0.00 177.00 175.73 1whb s LEU 129 N -2.58 2.14 0.12 -3.56 1.02 -0.74 -4.89 118.68 110.19 1whb s LEU 129 Ca 0.59 -0.48 -0.16 0.00 0.02 0.00 0.00 54.13 54.09 1whb s LEU 129 Cb -0.43 -0.97 -0.07 0.00 0.02 0.00 0.00 46.19 44.74 1whb s LEU 129 CO 0.56 0.17 0.55 0.54 0.02 0.00 0.00 176.35 178.19 1whb s VAL 130 N -0.73 4.82 0.58 -1.59 0.11 -1.26 -1.57 120.40 120.77 1whb s VAL 130 Ca 0.07 0.97 -0.18 0.00 -2.93 0.00 0.00 61.98 59.91 1whb s VAL 130 Cb -0.09 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1whb s VAL 130 CO 0.01 0.36 1.10 -0.22 -3.33 0.00 0.00 175.10 173.02 1whb s LEU 131 N -1.64 3.61 -0.90 2.54 2.96 -1.17 -1.83 118.68 122.25 1whb s LEU 131 Ca 0.34 2.03 -0.24 0.00 -0.22 0.00 0.00 54.13 56.04 1whb s LEU 131 Cb -0.17 -4.56 -0.02 0.00 0.50 0.00 0.00 46.19 41.94 1whb s LEU 131 CO 0.19 -1.28 1.83 -1.61 -1.32 0.00 0.00 176.35 174.15 1whb s GLU 132 N -3.66 2.78 0.00 1.98 8.01 -0.34 -3.10 118.70 124.37 1whb s GLU 132 Ca 0.69 -0.39 0.00 0.00 0.01 0.00 0.00 54.97 55.27 1whb s GLU 132 Cb -0.21 -5.06 0.00 0.00 -4.31 0.00 0.00 34.13 24.56 1whb s GLU 132 CO 0.32 -3.07 0.00 0.41 0.01 0.00 0.00 175.26 172.93 1whb n GLY 133 N 6.75 2.34 0.69 -1.39 0.00 -1.16 -4.73 105.19 107.70 1whb n GLY 133 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.01 0.10 -0.02 0.00 -1.18 -3.88 105.19 101.21 1whb n GLY 134 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 0.39 -0.84 1.61 3.20 0.37 -2.59 116.97 119.10 1whb h TYR 135 Ca 0.00 -0.28 0.04 0.00 3.14 0.00 0.00 58.73 61.63 1whb h TYR 135 Cb 0.00 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 1whb h TYR 135 CO 0.00 1.23 0.55 1.49 -1.64 0.00 0.00 178.16 179.79 1whb h GLU 136 N 0.06 0.99 0.03 1.82 4.57 -1.75 -1.70 114.58 118.60 1whb h GLU 136 Ca -0.12 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 57.74 1whb h GLU 136 Cb 1.94 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 30.27 1whb h GLU 136 CO 0.19 0.65 -1.35 -0.97 -1.18 0.00 0.00 179.01 176.35 1whb h ASN 137 N 1.02 0.10 -0.83 1.04 -0.73 -1.76 -3.31 115.58 111.11 1whb h ASN 137 Ca 0.34 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.37 1whb h ASN 137 Cb 0.08 -0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.60 1whb h ASN 137 CO -0.11 1.12 0.51 -0.25 -0.37 0.00 0.00 177.43 178.33 1whb h TRP 138 N 0.02 1.08 -0.21 0.67 2.91 -0.99 -1.31 115.95 118.13 1whb h TRP 138 Ca -0.15 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.79 1whb h TRP 138 Cb 1.91 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1whb h TRP 138 CO 0.02 0.71 -0.23 -0.07 -1.03 0.00 0.00 178.44 177.84 1whb h LEU 139 N 1.15 0.37 -0.53 0.65 3.38 -1.44 0.61 115.31 119.51 1whb h LEU 139 Ca 0.30 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1whb h LEU 139 Cb -0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1whb h LEU 139 CO -0.06 0.61 -0.72 -0.07 0.09 0.00 0.00 178.44 178.29 1whb h LEU 140 N 0.34 0.14 0.03 1.67 3.38 -1.44 -2.01 115.31 117.42 1whb h LEU 140 Ca 0.05 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1whb h LEU 140 Cb 0.60 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1whb h LEU 140 CO 0.04 0.81 -0.94 0.00 0.09 0.00 0.00 178.44 178.44 1whb n TYR 142 N -4.34 -0.97 0.14 0.00 4.01 0.21 -4.97 117.16 111.25 1whb n TYR 142 Ca -0.24 -3.28 -0.01 0.00 -0.16 0.00 0.00 57.90 54.21 1whb n TYR 142 Cb 0.69 0.26 0.22 0.00 -0.31 0.00 0.00 39.34 40.19 1whb n TYR 142 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1whb h PRO 143 N 5.54 0.05 0.00 -0.72 0.13 -1.47 -2.77 132.00 132.76 1whb h PRO 143 Ca 0.26 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1whb h PRO 143 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1whb h PRO 143 CO 0.37 0.57 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 1whb n GLN 144 N -3.91 0.06 -1.14 0.86 10.64 -1.26 -3.20 117.38 119.43 1whb n GLN 144 Ca -0.02 0.21 -0.27 0.00 -1.83 0.00 0.00 57.00 55.09 1whb n GLN 144 Cb 0.55 -1.60 0.08 0.00 -0.86 0.00 0.00 30.24 28.41 1whb n GLN 144 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1whb n TYR 145 N -1.72 2.61 -3.76 2.61 4.19 -1.04 -4.90 117.16 115.15 1whb n TYR 145 Ca 0.04 -2.48 -0.13 0.00 3.31 0.00 0.00 57.90 58.65 1whb n TYR 145 Cb 0.26 -1.20 -0.08 0.00 0.49 0.00 0.00 39.34 38.81 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 -3.71 0.07 0.39 2.97 -4.23 -1.19 -3.84 115.64 106.09 1whb s THR 146 Ca 0.52 -0.55 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 1whb s THR 146 Cb 0.41 -0.72 0.19 0.00 1.34 0.00 0.00 72.50 73.72 1whb s THR 146 CO 0.01 -0.30 1.95 0.71 -0.54 0.00 0.00 174.62 176.45 1whb h THR 147 N 3.66 1.15 -3.00 3.99 1.35 -1.71 -3.42 112.91 114.94 1whb h THR 147 Ca -0.30 -0.59 -0.20 0.00 -0.55 0.00 0.00 66.41 64.77 1whb h THR 147 Cb 1.18 0.95 -0.30 0.00 -1.73 0.00 0.00 68.15 68.26 1whb h THR 147 CO 0.42 0.20 -0.50 0.21 -0.25 0.00 0.00 175.52 175.61 1whb s ASN 148 N -6.81 -0.14 -0.14 5.36 2.47 -1.26 -5.02 114.94 109.39 1whb s ASN 148 Ca -0.07 0.53 0.17 0.00 0.42 0.00 0.00 52.86 53.91 1whb s ASN 148 Cb 0.16 0.45 0.43 0.00 -1.45 0.00 0.00 41.25 40.84 1whb s ASN 148 CO 0.74 -0.18 1.19 0.00 -3.72 0.00 0.00 177.10 175.13 1whb n ALA 149 N 4.44 3.23 -1.61 1.71 0.00 -1.26 -4.46 120.51 122.56 1whb n ALA 149 Ca -0.22 -2.96 -0.03 0.00 0.00 0.00 0.00 53.44 50.23 1whb n ALA 149 Cb 0.52 -0.52 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.48 1.99 -3.64 0.00 5.02 -1.26 -4.98 118.16 114.82 1whb n LYS 150 Ca 0.15 -3.40 -0.39 0.00 -2.02 0.00 0.00 58.31 52.65 1whb n LYS 150 Cb 0.88 -1.80 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.49 4.46 -0.66 -0.18 -7.23 -1.26 -5.05 120.40 107.00 1whb s VAL 151 Ca 0.43 -0.76 -0.20 0.00 -1.81 0.00 0.00 61.98 59.64 1whb s VAL 151 Cb 0.39 -3.43 0.10 0.00 0.56 0.00 0.00 36.38 34.01 1whb s VAL 151 CO -0.03 -0.13 0.82 -0.55 -0.31 0.00 0.00 175.10 174.90 1whb s SER 152 N 1.55 6.26 -0.25 4.85 0.15 -1.26 -5.00 113.70 119.99 1whb s SER 152 Ca 0.02 -1.46 -0.29 0.00 0.70 0.00 0.00 55.95 54.92 1whb s SER 152 Cb -0.18 -2.34 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1whb s SER 152 CO 0.06 -1.17 2.23 0.61 1.20 0.00 0.00 173.24 176.17 1whb n GLY 153 N 5.25 0.89 3.75 9.45 0.00 -1.26 -4.93 105.19 118.35 1whb n GLY 153 Ca -0.03 0.81 -0.41 0.00 0.00 0.00 0.00 46.02 46.39 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 6.39 4.47 -0.57 1.61 0.04 -1.26 -4.96 135.00 140.73 1whb s PRO 154 Ca 1.03 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 63.79 1whb s PRO 154 Cb -0.44 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1whb s PRO 154 CO 0.38 -0.07 1.44 -1.54 0.04 0.00 0.00 177.00 177.24 1whb s SER 155 N -0.28 6.09 -0.02 6.66 1.04 -1.26 -4.97 113.70 120.95 1whb s SER 155 Ca 0.50 0.27 -0.00 0.00 0.48 0.00 0.00 55.95 57.20 1whb s SER 155 Cb -0.35 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.25 1whb s SER 155 CO 0.43 -1.75 0.04 -0.44 0.98 0.00 0.00 173.24 172.50 1whb s SER 156 N 4.59 0.30 0.00 7.02 0.01 -1.26 -5.35 113.70 119.01 1whb s SER 156 Ca 0.53 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1whb s SER 156 Cb -0.11 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1whb s SER 156 CO 0.24 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.35