#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 5.84 0.30 1.61 1.04 -1.26 -4.92 113.70 116.32 1whb s SER 2 Ca 0.00 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 55.92 1whb s SER 2 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1whb s SER 2 CO 0.00 -2.06 0.27 -1.54 0.98 0.00 0.00 173.24 170.89 1whb n SER 3 N 10.95 -0.69 0.00 7.02 3.41 -1.26 -5.17 113.62 127.89 1whb n SER 3 Ca 0.22 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1whb n SER 3 Cb 0.50 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.03 1whb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 4 N -0.57 0.60 2.83 5.00 0.00 -1.26 -5.08 105.19 106.71 1whb n GLY 4 Ca 0.07 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.06 0.97 -0.00 1.61 0.01 -1.26 -5.15 113.70 108.82 1whb s SER 5 Ca 0.00 0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.31 1whb s SER 5 Cb 0.00 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 1whb s SER 5 CO 0.00 -0.31 -0.12 -0.55 0.41 0.00 0.00 173.24 172.67 1whb s SER 6 N 2.39 1.43 0.49 2.44 0.15 -1.26 -5.04 113.70 114.31 1whb s SER 6 Ca 0.07 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1whb s SER 6 Cb -0.15 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1whb s SER 6 CO -0.12 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1whb n GLY 7 N 2.65 1.44 1.47 9.45 0.00 -1.26 -5.06 105.19 113.89 1whb n GLY 7 Ca -0.14 -0.84 0.19 0.00 0.00 0.00 0.00 46.02 45.23 1whb n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whb n LYS 8 N 5.94 -3.11 -3.56 1.61 3.00 -1.26 -5.02 118.16 115.75 1whb n LYS 8 Ca 0.00 2.23 -0.14 0.00 -0.00 0.00 0.00 58.31 60.40 1whb n LYS 8 Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 35.03 31.23 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1whb n GLU 10 N 1.25 0.00 -3.99 0.00 2.13 -1.26 -5.10 120.64 113.68 1whb n GLU 10 Ca -0.15 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.49 1whb n GLU 10 Cb 0.57 -0.17 -0.16 0.00 0.27 0.00 0.00 31.44 31.95 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 -1.73 0.28 0.02 6.31 -4.23 -1.26 -5.03 115.64 110.00 1whb s THR 11 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1whb s THR 11 Cb 0.00 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1whb s THR 11 CO 0.00 0.17 0.00 0.29 -0.54 0.00 0.00 174.62 174.54 1whb n LYS 12 N 4.17 0.00 -3.11 3.99 5.02 -1.26 -5.04 118.16 121.93 1whb n LYS 12 Ca -0.25 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.65 1whb n LYS 12 Cb 0.50 -0.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.99 1whb n LYS 12 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1whb s GLU 13 N -2.00 4.40 -0.01 1.97 2.56 -1.26 -4.94 118.70 119.42 1whb s GLU 13 Ca 0.00 0.84 0.21 0.00 0.00 0.00 0.00 54.97 56.02 1whb s GLU 13 Cb 0.00 -3.38 0.34 0.00 2.00 0.00 0.00 34.13 33.09 1whb s GLU 13 CO 0.00 0.24 1.14 1.17 -0.56 0.00 0.00 175.26 177.25 1whb n LYS 14 N 3.12 0.04 -1.03 4.30 4.81 -1.26 -4.86 118.16 123.28 1whb n LYS 14 Ca -0.04 -1.82 0.01 0.00 -0.87 0.00 0.00 58.31 55.58 1whb n LYS 14 Cb 0.51 0.07 -0.00 0.00 0.02 0.00 0.00 35.03 35.63 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 0.36 0.78 3.13 3.14 0.00 -1.26 -5.01 105.19 106.32 1whb n GLY 15 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 0.87 0.08 4.61 0.00 -1.26 -3.19 121.76 122.87 1whb s ALA 16 Ca 0.16 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1whb s ALA 16 Cb 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1whb s ALA 16 CO -0.08 -0.05 -0.13 -1.50 0.00 0.00 0.00 175.76 174.00 1whb s ILE 17 N -2.14 1.10 0.36 0.00 2.07 -0.42 -4.80 121.20 117.37 1whb s ILE 17 Ca -0.00 -1.39 -0.03 0.00 -1.41 0.00 0.00 60.65 57.81 1whb s ILE 17 Cb -0.05 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.35 1whb s ILE 17 CO -0.01 -0.30 0.61 0.42 -1.91 0.00 0.00 174.94 173.76 1whb s THR 18 N -1.53 5.02 0.45 4.00 -4.23 -1.26 -0.57 115.64 117.52 1whb s THR 18 Ca 0.00 -0.10 0.12 0.00 -1.18 0.00 0.00 61.69 60.53 1whb s THR 18 Cb -0.08 -3.81 0.25 0.00 1.34 0.00 0.00 72.50 70.19 1whb s THR 18 CO 0.02 -0.54 2.07 0.00 -0.54 0.00 0.00 174.62 175.63 1whb h ALA 19 N 0.98 1.79 -0.07 3.99 0.00 -1.95 -1.99 119.26 122.01 1whb h ALA 19 Ca -0.48 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1whb h ALA 19 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1whb h ALA 19 CO 0.63 0.17 -0.17 -0.22 0.00 0.00 0.00 179.25 179.66 1whb h LYS 20 N 0.24 0.25 -0.18 0.00 3.11 -1.98 -3.09 116.57 114.93 1whb h LYS 20 Ca 0.06 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1whb h LYS 20 Cb 0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 1whb h LYS 20 CO -0.01 0.77 0.12 0.93 -2.81 0.00 0.00 179.45 178.45 1whb h GLU 21 N -0.24 0.23 -0.64 1.90 5.08 -1.87 -1.77 114.58 117.26 1whb h GLU 21 Ca -0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1whb h GLU 21 Cb 0.77 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1whb h GLU 21 CO 0.04 0.15 0.18 1.25 -1.00 0.00 0.00 179.01 179.63 1whb h LEU 22 N 0.23 0.96 -0.55 1.33 5.85 -1.33 -2.65 115.31 119.16 1whb h LEU 22 Ca 0.07 -0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 1whb h LEU 22 Cb -0.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1whb h LEU 22 CO -0.01 0.93 -0.50 0.22 -0.34 0.00 0.00 178.44 178.73 1whb h TYR 23 N 0.94 0.71 -0.52 1.25 5.03 -1.27 -1.93 116.97 121.18 1whb h TYR 23 Ca 0.20 -0.24 0.01 0.00 2.58 0.00 0.00 58.73 61.28 1whb h TYR 23 Cb 0.33 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 1whb h TYR 23 CO 0.02 0.96 0.35 1.15 -1.32 0.00 0.00 178.16 179.33 1whb h THR 24 N 0.45 1.13 0.08 1.81 2.02 -1.14 -1.18 112.91 116.09 1whb h THR 24 Ca 0.02 -0.24 -0.26 0.00 0.77 0.00 0.00 66.41 66.69 1whb h THR 24 Cb 1.04 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1whb h THR 24 CO 0.10 0.13 -1.28 0.24 0.37 0.00 0.00 175.52 175.08 1whb h MET 25 N 0.71 0.16 -0.26 6.66 2.86 -1.35 -3.03 114.93 120.68 1whb h MET 25 Ca 0.19 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1whb h MET 25 Cb -0.08 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1whb h MET 25 CO -0.04 1.07 -0.13 0.52 1.06 0.00 0.00 176.91 179.38 1whb h MET 26 N 0.04 0.44 0.03 1.72 2.07 -0.74 -2.74 114.93 115.76 1whb h MET 26 Ca -0.13 -0.12 -0.22 0.00 -2.07 0.00 0.00 59.70 57.15 1whb h MET 26 Cb 1.92 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 31.59 1whb h MET 26 CO 0.16 0.57 -0.98 1.79 1.07 0.00 0.00 176.91 179.52 1whb h THR 27 N 0.41 1.55 -4.14 2.22 1.35 -1.31 -3.46 112.91 109.53 1whb h THR 27 Ca 0.08 -2.90 -0.54 0.00 -0.55 0.00 0.00 66.41 62.49 1whb h THR 27 Cb 0.48 2.66 0.15 0.00 -1.73 0.00 0.00 68.15 69.71 1whb h THR 27 CO 0.03 0.84 0.45 -0.62 -0.25 0.00 0.00 175.52 175.97 1whb s ASP 28 N -6.93 4.43 -0.16 5.36 -1.08 -1.04 -4.96 116.67 112.30 1whb s ASP 28 Ca -0.02 2.47 0.14 0.00 -0.52 0.00 0.00 52.55 54.63 1whb s ASP 28 Cb 0.09 -2.60 -0.20 0.00 -1.46 0.00 0.00 42.92 38.75 1whb s ASP 28 CO 0.84 -2.11 0.05 2.29 0.52 0.00 0.00 175.17 176.76 1whb n LYS 29 N -2.29 1.32 0.07 4.34 0.00 -1.26 -4.51 118.16 115.83 1whb n LYS 29 Ca 0.14 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.31 1whb n LYS 29 Cb 0.49 -1.42 -0.14 0.00 -0.00 0.00 0.00 35.03 33.97 1whb n LYS 29 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1whb h ASN 30 N 0.00 0.28 -3.52 -5.58 -1.24 -1.94 -3.43 115.58 100.16 1whb h ASN 30 Ca -0.44 -0.34 -0.71 0.00 0.71 0.00 0.00 56.30 55.52 1whb h ASN 30 Cb 2.01 -0.09 -0.20 0.00 0.73 0.00 0.00 38.32 40.77 1whb h ASN 30 CO 0.02 1.28 -0.32 -0.63 -1.29 0.00 0.00 177.43 176.49 1whb s ILE 31 N -2.65 5.17 1.00 2.57 1.01 -1.26 -4.91 121.20 122.14 1whb s ILE 31 Ca -0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 1whb s ILE 31 Cb 0.08 -3.99 0.23 0.00 0.01 0.00 0.00 42.46 38.79 1whb s ILE 31 CO 0.85 -0.37 1.35 -0.44 0.00 0.00 0.00 174.94 176.34 1whb s SER 32 N 1.75 2.73 -0.29 3.58 0.01 -1.26 -4.65 113.70 115.56 1whb s SER 32 Ca 0.09 0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.25 1whb s SER 32 Cb -0.18 -0.08 0.16 0.00 0.21 0.00 0.00 66.02 66.13 1whb s SER 32 CO 0.12 -2.97 1.26 -0.22 0.41 0.00 0.00 173.24 171.84 1whb s LEU 33 N -5.99 -0.23 -0.07 2.44 2.96 -1.26 -3.22 118.68 113.31 1whb s LEU 33 Ca 0.77 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 1whb s LEU 33 Cb -0.02 1.45 0.02 0.00 0.50 0.00 0.00 46.19 48.14 1whb s LEU 33 CO 0.54 -0.08 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.82 1whb s ILE 34 N 0.12 0.67 0.00 6.68 1.01 -1.23 -5.01 121.20 123.45 1whb s ILE 34 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1whb s ILE 34 Cb -0.05 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1whb s ILE 34 CO -0.12 0.29 0.26 -0.63 0.00 0.00 0.00 174.94 174.74 1whb s ILE 35 N 1.40 5.32 -0.12 2.92 1.01 -1.25 -1.84 121.20 128.64 1whb s ILE 35 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1whb s ILE 35 Cb -0.13 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1whb s ILE 35 CO -0.03 0.36 -0.05 -0.04 0.00 0.00 0.00 174.94 175.19 1whb s MET 36 N -1.77 1.27 -0.95 2.79 -1.94 -1.08 0.10 119.30 117.72 1whb s MET 36 Ca 0.27 -0.25 -0.24 0.00 -1.71 0.00 0.00 55.69 53.77 1whb s MET 36 Cb -0.13 -1.58 0.02 0.00 2.01 0.00 0.00 34.83 35.14 1whb s MET 36 CO 0.16 -0.33 1.60 -0.51 -0.01 0.00 0.00 175.02 175.93 1whb s ASP 37 N 1.76 6.02 -1.38 3.03 1.01 -0.83 -1.18 116.67 125.10 1whb s ASP 37 Ca 0.04 -1.08 -0.12 0.00 0.71 0.00 0.00 52.55 52.09 1whb s ASP 37 Cb -0.13 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 1whb s ASP 37 CO -0.07 -1.93 2.48 0.00 0.21 0.00 0.00 175.17 175.85 1whb n ALA 38 N 10.59 6.01 -3.44 5.23 0.00 -1.25 -3.42 120.51 134.22 1whb n ALA 38 Ca 0.33 -3.42 -0.08 0.00 0.00 0.00 0.00 53.44 50.26 1whb n ALA 38 Cb 0.50 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 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 4.93 0.16 -1.39 0.00 3.00 -1.24 -4.77 116.66 117.35 1whb n ARG 39 Ca 0.62 -1.17 -0.35 0.00 -0.01 0.00 0.00 57.85 56.94 1whb n ARG 39 Cb 0.29 0.98 0.10 0.00 0.00 0.00 0.00 32.46 33.83 1whb n ARG 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1whb n ARG 40 N -0.22 0.61 0.20 5.56 1.74 -1.26 -2.34 116.66 120.94 1whb n ARG 40 Ca 0.02 0.28 0.06 0.00 -0.77 0.00 0.00 57.85 57.44 1whb n ARG 40 Cb 0.22 -2.48 0.54 0.00 -1.02 0.00 0.00 32.46 29.71 1whb n ARG 40 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1whb h MET 41 N -0.25 0.09 -0.01 5.56 4.05 -1.93 -1.69 114.93 120.75 1whb h MET 41 Ca -0.48 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 58.78 1whb h MET 41 Cb 1.32 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 1whb h MET 41 CO 0.49 0.15 -0.65 0.37 0.23 0.00 0.00 176.91 177.50 1whb h GLN 42 N 0.09 0.05 -0.38 0.39 4.15 -2.00 -3.21 115.11 114.20 1whb h GLN 42 Ca 0.02 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1whb h GLN 42 Cb 0.15 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1whb h GLN 42 CO 0.01 0.68 0.24 -0.44 -1.93 0.00 0.00 178.83 177.39 1whb h ASP 43 N 0.03 0.41 -0.14 -0.69 3.32 -1.64 -0.50 116.42 117.22 1whb h ASP 43 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1whb h ASP 43 Cb 1.16 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1whb h ASP 43 CO 0.09 0.30 0.09 0.22 -1.72 0.00 0.00 179.24 178.21 1whb h TYR 44 N 0.49 0.17 0.04 4.55 3.20 -1.55 0.57 116.97 124.44 1whb h TYR 44 Ca 0.14 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.77 1whb h TYR 44 Cb -0.04 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.18 1whb h TYR 44 CO -0.06 0.11 -1.04 1.96 -1.64 0.00 0.00 178.16 177.49 1whb h GLN 45 N 0.18 0.41 0.01 1.82 4.20 -1.39 -3.35 115.11 117.00 1whb h GLN 45 Ca 0.05 -0.49 -0.03 0.00 0.06 0.00 0.00 58.65 58.24 1whb h GLN 45 Cb -0.02 0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1whb h GLN 45 CO -0.01 1.16 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.74 1whb h ASP 46 N 0.21 0.09 -4.38 1.46 3.32 -0.28 -3.47 116.42 113.35 1whb h ASP 46 Ca -0.10 -0.91 -0.18 0.00 0.02 0.00 0.00 57.03 55.86 1whb h ASP 46 Cb 1.69 -0.03 -0.24 0.00 0.22 0.00 0.00 39.33 40.98 1whb h ASP 46 CO 0.18 0.98 -0.60 -0.55 -1.72 0.00 0.00 179.24 177.54 1whb s SER 47 N -6.26 0.01 -0.25 6.45 0.15 0.19 -4.71 113.70 109.28 1whb s SER 47 Ca -0.18 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 1whb s SER 47 Cb -0.01 0.17 0.17 0.00 -1.71 0.00 0.00 66.02 64.64 1whb s SER 47 CO 0.71 -0.19 1.28 0.00 1.20 0.00 0.00 173.24 176.24 1whb s ILE 49 N -1.21 3.56 0.00 0.00 1.01 -1.26 -1.71 121.20 121.59 1whb s ILE 49 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1whb s ILE 49 Cb -0.01 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1whb s ILE 49 CO -0.06 -0.28 0.69 0.18 0.00 0.00 0.00 174.94 175.48 1whb n LEU 50 N -1.41 0.00 -4.25 2.97 4.32 -1.25 -3.89 117.00 113.49 1whb n LEU 50 Ca 0.10 0.69 -0.43 0.00 -0.02 0.00 0.00 56.01 56.35 1whb n LEU 50 Cb 0.52 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1whb n LEU 50 CO 0.43 -0.19 1.95 1.41 -1.22 0.00 0.00 177.39 179.76 1whb n HIS 51 N -1.12 4.22 -4.05 -1.77 8.25 -1.26 -4.89 115.22 114.60 1whb n HIS 51 Ca 0.00 -3.01 -0.14 0.00 -0.26 0.00 0.00 57.72 54.31 1whb n HIS 51 Cb 0.00 -2.37 -0.03 0.00 1.12 0.00 0.00 29.99 28.72 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 3.00 0.90 0.33 0.41 1.04 -1.25 -4.68 113.70 113.45 1whb s SER 52 Ca 0.47 -1.49 0.09 0.00 0.48 0.00 0.00 55.95 55.50 1whb s SER 52 Cb 0.05 0.72 -0.06 0.00 0.10 0.00 0.00 66.02 66.83 1whb s SER 52 CO 0.01 -1.40 -0.04 -0.22 0.98 0.00 0.00 173.24 172.57 1whb s LEU 53 N -3.24 2.88 0.29 2.42 2.96 0.29 -4.91 118.68 119.37 1whb s LEU 53 Ca 0.28 -1.05 0.11 0.00 -0.22 0.00 0.00 54.13 53.25 1whb s LEU 53 Cb -0.01 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 1whb s LEU 53 CO 0.20 -0.19 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.39 1whb s SER 54 N -3.66 3.97 -0.30 3.68 0.15 -1.26 -1.96 113.70 114.31 1whb s SER 54 Ca 0.33 -0.93 -0.11 0.00 0.70 0.00 0.00 55.95 55.94 1whb s SER 54 Cb 0.00 -0.49 0.18 0.00 -1.71 0.00 0.00 66.02 63.99 1whb s SER 54 CO 0.18 -0.04 0.95 0.54 1.20 0.00 0.00 173.24 176.07 1whb s VAL 55 N -2.47 -0.50 0.53 4.45 0.11 -1.22 -4.74 120.40 116.56 1whb s VAL 55 Ca 0.31 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.15 1whb s VAL 55 Cb -0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1whb s VAL 55 CO 0.17 0.00 1.22 -2.16 -3.33 0.00 0.00 175.10 171.01 1whb s PRO 56 N 2.80 3.32 0.10 1.54 0.04 -1.26 -3.71 135.00 137.83 1whb s PRO 56 Ca 0.03 1.89 0.03 0.00 0.04 0.00 0.00 61.00 63.00 1whb s PRO 56 Cb -0.10 -2.19 -0.24 0.00 0.04 0.00 0.00 34.50 32.02 1whb s PRO 56 CO -0.15 -0.94 1.21 1.49 0.04 0.00 0.00 177.00 178.65 1whb h GLU 57 N 1.46 0.09 -0.09 4.56 4.81 -1.78 -3.26 114.58 120.38 1whb h GLU 57 Ca -0.50 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.58 1whb h GLU 57 Cb 1.28 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1whb h GLU 57 CO 0.58 1.05 0.06 1.49 -0.73 0.00 0.00 179.01 181.46 1whb h GLU 58 N 0.02 0.09 0.05 1.92 4.57 -1.92 -1.80 114.58 117.51 1whb h GLU 58 Ca -0.06 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.88 1whb h GLU 58 Cb 1.85 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.41 1whb h GLU 58 CO 0.15 0.06 -1.05 0.00 -1.18 0.00 0.00 179.01 176.99 1whb h ALA 59 N 1.95 0.30 -2.16 2.92 0.00 -1.93 -3.42 119.26 116.91 1whb h ALA 59 Ca 0.04 -0.79 -0.61 0.00 0.00 0.00 0.00 54.91 53.54 1whb h ALA 59 Cb 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1whb h ALA 59 CO -0.01 0.93 0.37 0.42 0.00 0.00 0.00 179.25 180.96 1whb s ILE 60 N -2.98 4.72 0.29 0.00 1.01 -0.68 -4.73 121.20 118.84 1whb s ILE 60 Ca -0.04 0.80 0.06 0.00 0.00 0.00 0.00 60.65 61.48 1whb s ILE 60 Cb 0.09 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1whb s ILE 60 CO 0.86 -0.48 0.34 -0.55 0.00 0.00 0.00 174.94 175.12 1whb s SER 61 N 1.89 5.84 -1.11 3.58 0.15 -1.26 -4.89 113.70 117.90 1whb s SER 61 Ca 0.31 -0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.54 1whb s SER 61 Cb -0.13 -1.40 -0.05 0.00 -1.71 0.00 0.00 66.02 62.73 1whb s SER 61 CO 0.18 -0.22 1.89 -2.16 1.20 0.00 0.00 173.24 174.12 1whb s PRO 62 N -4.01 2.74 0.00 5.44 0.04 -1.26 -3.10 135.00 134.84 1whb s PRO 62 Ca 0.38 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1whb s PRO 62 Cb -0.08 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1whb s PRO 62 CO 0.28 -3.53 0.00 0.41 0.04 0.00 0.00 177.00 174.21 1whb n GLY 63 N 6.12 0.95 3.87 0.56 0.00 -1.26 -4.99 105.19 110.44 1whb n GLY 63 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.12 1.89 0.52 1.61 -7.23 -1.18 -5.15 120.40 109.73 1whb s VAL 64 Ca 0.00 -1.51 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 1whb s VAL 64 Cb 0.00 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1whb s VAL 64 CO 0.00 0.00 0.43 0.42 -0.31 0.00 0.00 175.10 175.64 1whb s THR 65 N -2.70 1.93 0.23 5.32 -4.23 -1.26 -4.59 115.64 110.34 1whb s THR 65 Ca 0.37 -1.43 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1whb s THR 65 Cb -0.01 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.55 1whb s THR 65 CO 0.22 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.99 1whb h ALA 66 N 0.78 0.98 -0.22 3.99 0.00 -1.76 -2.70 119.26 120.33 1whb h ALA 66 Ca -0.37 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1whb h ALA 66 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1whb h ALA 66 CO 0.56 0.60 0.14 1.03 0.00 0.00 0.00 179.25 181.59 1whb h SER 67 N 0.72 0.26 -0.17 0.00 0.87 -1.91 -0.16 113.55 113.16 1whb h SER 67 Ca 0.12 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1whb h SER 67 Cb 0.59 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1whb h SER 67 CO 0.04 0.19 0.11 -0.25 -0.53 0.00 0.00 176.83 176.39 1whb h TRP 68 N 0.30 0.22 -0.04 2.24 2.91 -1.88 -1.90 115.95 117.80 1whb h TRP 68 Ca 0.08 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.05 1whb h TRP 68 Cb -0.02 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 1whb h TRP 68 CO 0.00 0.16 -0.18 0.82 -1.03 0.00 0.00 178.44 178.21 1whb h ILE 69 N 0.22 1.47 -0.67 2.65 2.04 -1.49 -3.15 117.51 118.57 1whb h ILE 69 Ca 0.06 -1.64 0.19 0.00 1.00 0.00 0.00 64.86 64.48 1whb h ILE 69 Cb -0.00 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1whb h ILE 69 CO -0.01 0.45 0.57 -0.08 0.00 0.00 0.00 178.15 179.08 1whb h GLU 70 N -0.37 0.00 0.00 2.37 4.81 -1.00 0.48 114.58 120.86 1whb h GLU 70 Ca -0.01 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1whb h GLU 70 Cb 0.83 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1whb h GLU 70 CO 0.04 0.00 -0.83 0.00 -0.73 0.00 0.00 179.01 177.49 1whb h ALA 71 N 1.49 0.57 -3.40 2.92 0.00 -1.31 -3.40 119.26 116.13 1whb h ALA 71 Ca 0.32 -0.75 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 1whb h ALA 71 Cb 1.46 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.71 1whb h ALA 71 CO -0.00 1.03 -0.70 -1.01 0.00 0.00 0.00 179.25 178.57 1whb s HIS 72 N -3.00 3.00 0.08 0.00 3.76 0.17 -5.08 115.29 114.21 1whb s HIS 72 Ca 0.01 -2.78 -0.24 0.00 -0.15 0.00 0.00 55.06 51.90 1whb s HIS 72 Cb 0.10 -2.55 0.06 0.00 1.11 0.00 0.00 32.58 31.30 1whb s HIS 72 CO 0.79 -0.85 0.57 -0.51 -0.85 0.00 0.00 174.74 173.90 1whb s LEU 73 N 0.55 -0.34 0.95 0.89 1.43 -1.24 -4.78 118.68 116.14 1whb s LEU 73 Ca 0.14 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1whb s LEU 73 Cb -0.22 2.36 0.05 0.00 0.03 0.00 0.00 46.19 48.42 1whb s LEU 73 CO -0.07 -0.80 0.50 -2.65 0.23 0.00 0.00 176.35 173.56 1whb n PRO 74 N 0.15 -0.33 0.05 1.29 -0.02 -1.26 -4.80 135.00 130.08 1whb n PRO 74 Ca -0.18 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.16 1whb n PRO 74 Cb 0.62 -1.92 0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1whb n PRO 74 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1whb h ASP 75 N -1.62 0.47 0.98 2.55 1.82 -2.02 -2.12 116.42 116.48 1whb h ASP 75 Ca -0.43 -0.29 -0.20 0.00 -0.39 0.00 0.00 57.03 55.72 1whb h ASP 75 Cb 1.28 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.12 1whb h ASP 75 CO 0.35 1.00 -1.07 -0.78 -1.61 0.00 0.00 179.24 177.14 1whb h ASP 76 N 0.29 0.00 1.37 2.28 1.82 -2.03 -3.29 116.42 116.85 1whb h ASP 76 Ca -0.02 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.54 1whb h ASP 76 Cb 1.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1whb h ASP 76 CO 0.11 0.88 -0.41 -1.28 -1.61 0.00 0.00 179.24 176.94 1whb h SER 77 N 0.00 0.00 -0.93 2.28 0.87 -1.91 -3.26 113.55 110.60 1whb h SER 77 Ca -0.07 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1whb h SER 77 Cb 1.73 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.63 1whb h SER 77 CO 0.10 0.41 0.60 0.11 -0.53 0.00 0.00 176.83 177.53 1whb h LYS 78 N 0.00 0.93 -0.66 2.24 1.57 -1.45 0.51 116.57 119.71 1whb h LYS 78 Ca -0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1whb h LYS 78 Cb 1.21 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1whb h LYS 78 CO 0.05 0.61 0.22 -0.44 -0.57 0.00 0.00 179.45 179.33 1whb h ASP 79 N 0.96 0.95 0.38 0.86 3.32 -1.74 -2.62 116.42 118.53 1whb h ASP 79 Ca 0.43 -0.20 -0.24 0.00 0.02 0.00 0.00 57.03 57.04 1whb h ASP 79 Cb 0.38 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.69 1whb h ASP 79 CO -0.19 0.89 -1.03 0.74 -1.72 0.00 0.00 179.24 177.93 1whb h THR 80 N 0.95 1.41 -0.07 0.35 2.02 -1.42 -3.10 112.91 113.06 1whb h THR 80 Ca 0.22 -2.58 0.02 0.00 0.77 0.00 0.00 66.41 64.84 1whb h THR 80 Cb 0.27 2.55 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1whb h THR 80 CO -0.01 0.77 0.06 -0.25 0.37 0.00 0.00 175.52 176.45 1whb h TRP 81 N 0.20 0.00 0.00 3.16 2.91 0.14 -0.18 115.95 122.18 1whb h TRP 81 Ca -0.10 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.92 1whb h TRP 81 Cb 1.69 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.34 1whb h TRP 81 CO 0.07 0.00 -0.62 0.87 -1.03 0.00 0.00 178.44 177.72 1whb h LYS 82 N 0.00 0.00 -0.33 2.65 1.57 -1.46 -3.28 116.57 115.72 1whb h LYS 82 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1whb h LYS 82 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1whb h LYS 82 CO -0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1whb n LYS 83 N -2.54 1.75 0.19 3.15 5.02 -0.09 -3.98 118.16 121.66 1whb n LYS 83 Ca 0.02 -1.14 0.05 0.00 -2.02 0.00 0.00 58.31 55.22 1whb n LYS 83 Cb 0.50 -1.26 0.37 0.00 -0.02 0.00 0.00 35.03 34.62 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1whb h ARG 84 N 1.84 0.00 0.00 1.97 -0.00 -1.60 -2.65 114.38 113.95 1whb h ARG 84 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.93 1whb h ARG 84 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.40 1whb h ARG 84 CO 0.00 0.38 -0.57 0.78 -0.00 0.00 0.00 179.97 180.56 1whb h GLY 85 N 1.59 0.00 0.98 0.08 0.00 -1.79 -3.34 103.07 100.59 1whb h GLY 85 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1whb h GLY 85 CO 0.05 0.00 -1.10 -0.57 0.00 0.00 0.00 176.54 174.92 1whb h ASN 86 N 0.00 0.67 -2.64 0.19 -0.73 -1.76 -3.45 115.58 107.86 1whb h ASN 86 Ca -0.02 -0.91 -0.31 0.00 1.87 0.00 0.00 56.30 56.93 1whb h ASN 86 Cb 1.17 -0.22 0.19 0.00 0.27 0.00 0.00 38.32 39.73 1whb h ASN 86 CO 0.02 1.53 -0.15 1.33 -0.37 0.00 0.00 177.43 179.79 1whb n VAL 87 N -3.94 0.00 -0.06 2.57 0.24 -1.02 -5.01 118.33 111.11 1whb n VAL 87 Ca -0.15 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.09 1whb n VAL 87 Cb 0.94 -0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 32.44 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 -5.25 0.39 -3.90 7.34 2.13 -1.26 -4.65 120.64 115.44 1whb n GLU 88 Ca 0.12 0.16 -0.21 0.00 0.66 0.00 0.00 57.16 57.88 1whb n GLU 88 Cb 0.51 -1.18 -0.04 0.00 0.27 0.00 0.00 31.44 31.01 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 -2.57 3.02 -0.03 4.31 1.51 -1.20 -3.75 117.35 118.64 1whb s TYR 89 Ca -0.21 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1whb s TYR 89 Cb 0.03 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1whb s TYR 89 CO 0.32 0.30 0.06 0.08 -1.11 0.00 0.00 175.55 175.20 1whb s VAL 90 N -2.22 -0.09 0.21 0.71 1.01 -1.26 -3.49 120.40 115.27 1whb s VAL 90 Ca 0.38 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.75 1whb s VAL 90 Cb -0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1whb s VAL 90 CO 0.26 0.12 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 1whb s VAL 91 N 1.54 1.94 0.49 2.92 1.01 -0.77 -0.59 120.40 126.94 1whb s VAL 91 Ca -0.03 -2.17 0.01 0.00 0.00 0.00 0.00 61.98 59.79 1whb s VAL 91 Cb -0.12 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1whb s VAL 91 CO -0.03 -0.46 0.05 0.18 0.00 0.00 0.00 175.10 174.84 1whb n LEU 92 N -0.22 0.00 -4.51 3.92 4.77 0.48 -2.63 117.00 118.80 1whb n LEU 92 Ca -0.09 -3.29 -0.26 0.00 -0.03 0.00 0.00 56.01 52.34 1whb n LEU 92 Cb 0.59 0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 42.23 1whb n LEU 92 CO 0.34 -0.48 -0.17 -0.76 -1.33 0.00 0.00 177.39 174.99 1whb s LEU 93 N 0.00 1.97 0.00 2.23 1.43 -0.33 -2.02 118.68 121.96 1whb s LEU 93 Ca 0.08 -1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 51.14 1whb s LEU 93 Cb 0.00 0.00 0.09 0.00 0.03 0.00 0.00 46.19 46.32 1whb s LEU 93 CO 0.05 -1.01 1.28 -0.90 0.23 0.00 0.00 176.35 176.00 1whb n ASP 94 N -1.49 -1.22 -0.08 2.29 5.68 -1.26 -3.95 116.55 116.52 1whb n ASP 94 Ca -0.05 -1.27 -0.15 0.00 -0.50 0.00 0.00 54.79 52.83 1whb n ASP 94 Cb 0.64 1.89 -0.14 0.00 -1.14 0.00 0.00 41.12 42.37 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 -0.92 0.39 0.00 2.11 5.03 -1.26 0.12 117.44 122.90 1whb n TRP 95 Ca 0.04 0.11 0.00 0.00 3.03 0.00 0.00 57.50 60.68 1whb n TRP 95 Cb 0.58 -1.06 0.00 0.00 -1.03 0.00 0.00 31.31 29.80 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 -3.11 -0.52 -1.67 -5.99 3.72 -1.24 -4.34 117.46 104.30 1whb n PHE 96 Ca -0.35 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.58 1whb n PHE 96 Cb 1.06 0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 39.66 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 -1.64 3.16 -4.89 4.37 3.41 -1.26 -4.68 113.62 112.08 1whb n SER 97 Ca 0.00 1.04 -0.28 0.00 -0.26 0.00 0.00 58.87 59.36 1whb n SER 97 Cb 0.00 -1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 62.55 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 2.31 4.52 0.55 4.04 0.01 -1.26 -4.82 113.70 119.05 1whb s SER 98 Ca 0.85 -1.38 0.24 0.00 1.31 0.00 0.00 55.95 56.97 1whb s SER 98 Cb -0.71 0.60 1.48 0.00 0.21 0.00 0.00 66.02 67.60 1whb s SER 98 CO 0.45 -1.14 2.09 0.00 0.41 0.00 0.00 173.24 175.05 1whb h ALA 99 N 0.79 2.06 0.00 1.44 0.00 -1.89 -0.27 119.26 121.40 1whb h ALA 99 Ca -0.37 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1whb h ALA 99 Cb 1.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1whb h ALA 99 CO 0.60 -0.31 -1.21 0.87 0.00 0.00 0.00 179.25 179.19 1whb h LYS 100 N 0.00 0.01 -0.64 0.00 6.56 -1.97 -3.27 116.57 117.25 1whb h LYS 100 Ca 0.11 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.68 1whb h LYS 100 Cb 0.49 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 1whb h LYS 100 CO -0.00 0.86 0.01 -0.25 -2.06 0.00 0.00 179.45 178.01 1whb n ASP 101 N -3.27 5.11 -4.55 0.86 8.00 -0.23 -4.89 116.55 117.57 1whb n ASP 101 Ca -0.05 -2.82 -0.37 0.00 0.71 0.00 0.00 54.79 52.25 1whb n ASP 101 Cb 0.97 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.41 3.26 0.57 0.64 1.43 -0.51 -4.60 118.68 117.06 1whb s LEU 102 Ca 0.48 -0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 1whb s LEU 102 Cb 0.36 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1whb s LEU 102 CO 0.14 -2.30 1.02 -1.10 0.23 0.00 0.00 176.35 174.33 1whb s GLN 103 N 6.74 3.66 -0.55 1.70 -0.21 -1.26 -4.95 119.66 124.78 1whb s GLN 103 Ca 0.61 0.98 -0.27 0.00 0.02 0.00 0.00 55.36 56.70 1whb s GLN 103 Cb -0.11 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 1whb s GLN 103 CO 0.16 -0.52 1.86 0.42 -2.12 0.00 0.00 175.29 175.09 1whb s ILE 104 N -2.72 3.38 0.00 1.08 1.01 -1.26 -2.98 121.20 119.71 1whb s ILE 104 Ca 0.59 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1whb s ILE 104 Cb -0.12 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1whb s ILE 104 CO 0.39 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 175.15 1whb n GLY 105 N 5.65 1.57 2.94 6.18 0.00 -1.26 -5.14 105.19 115.12 1whb n GLY 105 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.08 0.00 0.01 2.61 -2.24 -1.16 -4.82 114.28 108.60 1whb n THR 106 Ca 0.00 -1.55 -0.21 0.00 -2.27 0.00 0.00 64.05 60.01 1whb n THR 106 Cb 0.00 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 67.68 1whb n THR 106 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1whb h THR 107 N 0.32 1.07 -0.35 4.28 2.02 -1.91 -3.20 112.91 115.13 1whb h THR 107 Ca -0.23 -2.41 -0.01 0.00 0.77 0.00 0.00 66.41 64.53 1whb h THR 107 Cb 0.96 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 1whb h THR 107 CO 0.35 0.70 0.19 -0.07 0.37 0.00 0.00 175.52 177.05 1whb h LEU 108 N -0.32 0.44 0.71 2.58 3.38 -1.93 0.29 115.31 120.46 1whb h LEU 108 Ca -0.29 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1whb h LEU 108 Cb 1.74 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1whb h LEU 108 CO 0.06 0.41 -0.44 0.03 0.09 0.00 0.00 178.44 178.60 1whb h ARG 109 N 0.44 -1.04 0.00 1.13 2.47 -1.90 0.74 114.38 116.22 1whb h ARG 109 Ca 0.12 0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.89 1whb h ARG 109 Cb 0.07 0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1whb h ARG 109 CO -0.02 -0.69 -0.13 0.66 0.56 0.00 0.00 179.97 180.35 1whb h SER 110 N -1.08 0.00 0.96 7.04 4.64 -1.54 -1.97 113.55 121.60 1whb h SER 110 Ca -0.09 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 1whb h SER 110 Cb 0.87 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1whb h SER 110 CO 0.09 0.13 -0.97 0.25 -0.87 0.00 0.00 176.83 175.46 1whb h LEU 111 N 0.00 0.01 -0.34 5.97 5.85 0.02 -2.95 115.31 123.88 1whb h LEU 111 Ca -0.00 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 1whb h LEU 111 Cb 0.25 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1whb h LEU 111 CO 0.02 0.97 -0.54 0.50 -0.34 0.00 0.00 178.44 179.05 1whb h LYS 112 N 0.00 0.83 -0.00 1.25 3.64 0.12 -2.98 116.57 119.44 1whb h LYS 112 Ca -0.01 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1whb h LYS 112 Cb 1.72 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1whb h LYS 112 CO 0.13 1.16 -0.00 -0.40 -2.27 0.00 0.00 179.45 178.06 1whb n ASP 113 N -4.00 0.00 -1.53 4.20 5.68 -0.93 -3.27 116.55 116.71 1whb n ASP 113 Ca -0.04 0.49 0.05 0.00 -0.50 0.00 0.00 54.79 54.78 1whb n ASP 113 Cb 0.62 -0.49 0.29 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.50 3.55 0.00 2.12 0.00 -1.11 -0.67 120.51 122.90 1whb n ALA 114 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1whb n ALA 114 Cb 0.34 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.73 -0.07 0.00 4.77 -1.20 -3.77 117.00 117.88 1whb n LEU 115 Ca 0.21 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1whb n LEU 115 Cb 0.95 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.00 1whb n LEU 115 CO 0.24 -0.01 -0.86 0.33 -1.33 0.00 0.00 177.39 175.77 1whb n PHE 116 N -2.39 0.00 0.14 -1.77 7.35 -1.24 -4.75 117.46 114.81 1whb n PHE 116 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1whb n PHE 116 Cb 0.25 -0.52 -0.06 0.00 0.35 0.00 0.00 39.48 39.50 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 -0.64 -0.53 -5.57 -4.13 3.11 -1.77 -3.32 116.57 103.73 1whb h LYS 117 Ca -0.28 0.04 -0.65 0.00 -2.81 0.00 0.00 60.65 56.94 1whb h LYS 117 Cb 1.11 0.12 -0.13 0.00 -1.00 0.00 0.00 32.23 32.33 1whb h LYS 117 CO -0.17 -0.36 1.27 -1.58 -2.81 0.00 0.00 179.45 175.80 1whb s TRP 118 N -4.66 2.85 -0.63 1.91 0.52 0.16 -4.97 118.94 114.12 1whb s TRP 118 Ca -0.10 -1.20 -0.25 0.00 0.02 0.00 0.00 56.10 54.56 1whb s TRP 118 Cb 0.03 -4.51 0.04 0.00 -1.15 0.00 0.00 33.47 27.88 1whb s TRP 118 CO 0.35 -1.71 1.09 -2.00 0.02 0.00 0.00 176.95 174.70 1whb s GLU 119 N 3.78 3.28 -0.08 4.98 2.12 -1.25 -4.38 118.70 127.15 1whb s GLU 119 Ca 0.41 -0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 1whb s GLU 119 Cb -0.02 -4.12 -0.01 0.00 0.26 0.00 0.00 34.13 30.24 1whb s GLU 119 CO -0.08 -1.78 0.10 0.77 -0.54 0.00 0.00 175.26 173.73 1whb h SER 120 N 9.61 -0.07 -0.00 -1.70 0.02 -1.93 -3.45 113.55 116.04 1whb h SER 120 Ca -0.27 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 1whb h SER 120 Cb 1.06 0.02 -0.14 0.00 0.14 0.00 0.00 62.40 63.48 1whb h SER 120 CO 1.18 0.37 -0.31 2.29 -1.14 0.00 0.00 176.83 179.22 1whb n LYS 121 N -4.57 0.20 -3.62 3.45 2.85 -1.26 -5.13 118.16 110.08 1whb n LYS 121 Ca -0.01 -1.07 -0.16 0.00 -1.05 0.00 0.00 58.31 56.03 1whb n LYS 121 Cb 0.03 0.47 -0.07 0.00 -0.65 0.00 0.00 35.03 34.81 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1whb s THR 122 N -0.00 0.01 0.12 0.58 2.01 -1.26 -5.15 115.64 111.95 1whb s THR 122 Ca 0.02 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.00 1whb s THR 122 Cb 0.07 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1whb s THR 122 CO -0.02 -0.05 -0.16 0.54 -0.69 0.00 0.00 174.62 174.23 1whb s VAL 123 N -0.67 1.46 0.32 3.82 0.11 -1.26 -4.83 120.40 119.35 1whb s VAL 123 Ca -0.08 -1.67 0.09 0.00 -2.93 0.00 0.00 61.98 57.40 1whb s VAL 123 Cb -0.03 -1.53 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 1whb s VAL 123 CO 0.06 -0.31 0.01 -0.76 -3.33 0.00 0.00 175.10 170.77 1whb s LEU 124 N -2.29 3.02 0.10 2.54 1.02 -1.26 -4.48 118.68 117.33 1whb s LEU 124 Ca 0.08 -0.90 -0.12 0.00 0.02 0.00 0.00 54.13 53.21 1whb s LEU 124 Cb -0.07 -1.45 -0.17 0.00 0.02 0.00 0.00 46.19 44.53 1whb s LEU 124 CO 0.04 -0.18 1.27 0.03 0.02 0.00 0.00 176.35 177.53 1whb h ARG 125 N 1.83 0.74 0.00 1.70 2.47 -1.83 -3.47 114.38 115.82 1whb h ARG 125 Ca -0.43 -0.67 -0.54 0.00 -1.26 0.00 0.00 59.98 57.08 1whb h ARG 125 Cb 1.25 0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 29.61 1whb h ARG 125 CO 0.65 1.27 -0.47 0.09 0.56 0.00 0.00 179.97 182.06 1whb n ASN 126 N -3.90 0.77 -4.71 7.04 3.02 -1.25 -5.10 115.26 111.14 1whb n ASN 126 Ca -0.09 -3.20 -0.39 0.00 -0.03 0.00 0.00 54.58 50.88 1whb n ASN 126 Cb 0.80 1.20 -0.05 0.00 -0.61 0.00 0.00 39.78 41.11 1whb n ASN 126 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1whb s GLU 127 N -3.52 4.38 0.19 3.52 2.12 -1.26 -4.86 118.70 119.26 1whb s GLU 127 Ca 0.25 0.69 -0.33 0.00 0.36 0.00 0.00 54.97 55.94 1whb s GLU 127 Cb 0.01 -3.46 -0.14 0.00 0.26 0.00 0.00 34.13 30.80 1whb s GLU 127 CO 0.18 0.07 1.43 -2.30 -0.54 0.00 0.00 175.26 174.09 1whb n PRO 128 N 3.87 1.87 -4.15 4.30 -0.02 -1.26 -4.78 135.00 134.84 1whb n PRO 128 Ca -0.03 0.67 -0.24 0.00 -2.02 0.00 0.00 63.50 61.87 1whb n PRO 128 Cb 0.51 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.46 3.12 -0.09 2.45 1.02 0.24 -4.87 118.68 121.01 1whb s LEU 129 Ca 0.74 -1.03 0.02 0.00 0.02 0.00 0.00 54.13 53.88 1whb s LEU 129 Cb -0.71 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.01 1whb s LEU 129 CO 0.46 -0.48 -0.15 0.54 0.02 0.00 0.00 176.35 176.74 1whb s VAL 130 N -2.57 2.98 0.52 -1.59 0.11 -1.19 -0.39 120.40 118.27 1whb s VAL 130 Ca 0.40 -0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 58.50 1whb s VAL 130 Cb 0.03 -2.20 -0.06 0.00 -1.53 0.00 0.00 36.38 32.62 1whb s VAL 130 CO 0.22 0.56 1.39 -0.22 -3.33 0.00 0.00 175.10 173.72 1whb s LEU 131 N -0.21 3.93 -0.49 2.54 2.96 -0.85 -1.30 118.68 125.26 1whb s LEU 131 Ca 0.00 2.84 -0.28 0.00 -0.22 0.00 0.00 54.13 56.47 1whb s LEU 131 Cb -0.13 -4.16 0.01 0.00 0.50 0.00 0.00 46.19 42.41 1whb s LEU 131 CO 0.03 -1.47 1.45 -0.70 -1.32 0.00 0.00 176.35 174.34 1whb s GLU 132 N -2.76 3.39 0.00 1.98 2.12 0.27 -3.14 118.70 120.55 1whb s GLU 132 Ca 0.68 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1whb s GLU 132 Cb -0.42 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 29.87 1whb s GLU 132 CO 0.51 -1.81 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 1whb n GLY 133 N 5.21 3.00 4.24 -1.50 0.00 -1.26 -4.63 105.19 110.25 1whb n GLY 133 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.72 0.33 -0.02 0.00 -1.19 -3.68 105.19 98.91 1whb n GLY 134 Ca 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 0.73 -0.18 1.61 3.20 0.57 -0.62 116.97 122.28 1whb h TYR 135 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1whb h TYR 135 Cb 0.00 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1whb h TYR 135 CO 0.00 0.46 0.13 1.49 -1.64 0.00 0.00 178.16 178.59 1whb h GLU 136 N 0.78 0.06 0.03 1.82 4.57 -1.73 -1.98 114.58 118.14 1whb h GLU 136 Ca 0.22 -0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.09 1whb h GLU 136 Cb -0.06 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1whb h GLU 136 CO -0.05 0.04 -1.78 -1.71 -1.18 0.00 0.00 179.01 174.33 1whb n ASN 137 N -4.50 1.15 0.15 1.04 2.85 -0.51 -4.03 115.26 111.41 1whb n ASN 137 Ca 0.01 0.37 0.06 0.00 -0.11 0.00 0.00 54.58 54.91 1whb n ASN 137 Cb 0.22 -0.24 0.55 0.00 1.24 0.00 0.00 39.78 41.55 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 0.02 0.22 -0.07 1.20 2.91 -0.44 -0.91 115.95 118.87 1whb h TRP 138 Ca -0.32 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.60 1whb h TRP 138 Cb 2.02 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.58 1whb h TRP 138 CO 0.02 0.14 -0.43 -0.07 -1.03 0.00 0.00 178.44 177.06 1whb h LEU 139 N 0.24 0.17 0.05 0.65 3.38 -1.56 0.36 115.31 118.61 1whb h LEU 139 Ca 0.06 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1whb h LEU 139 Cb -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1whb h LEU 139 CO -0.01 0.59 -1.13 -0.07 0.09 0.00 0.00 178.44 177.91 1whb h LEU 140 N 0.14 0.17 0.11 1.67 3.38 -1.37 -2.65 115.31 116.76 1whb h LEU 140 Ca 0.01 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 1whb h LEU 140 Cb 0.83 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1whb h LEU 140 CO 0.06 1.15 -0.89 0.00 0.09 0.00 0.00 178.44 178.85 1whb s TYR 142 N -2.41 0.09 0.22 0.00 2.02 0.13 -4.99 117.35 112.39 1whb s TYR 142 Ca -0.16 -1.47 0.00 0.00 -0.37 0.00 0.00 57.07 55.07 1whb s TYR 142 Cb 0.02 -0.51 0.21 0.00 -0.40 0.00 0.00 41.96 41.28 1whb s TYR 142 CO 0.79 -0.96 1.56 -1.00 -1.57 0.00 0.00 175.55 174.37 1whb h PRO 143 N 6.02 0.45 0.00 -1.71 0.13 -1.57 -2.89 132.00 132.43 1whb h PRO 143 Ca 0.15 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1whb h PRO 143 Cb 1.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1whb h PRO 143 CO 0.24 0.85 0.00 -0.56 -0.23 0.00 0.00 178.00 178.30 1whb h GLN 144 N 0.35 0.00 -1.56 0.86 3.07 -1.92 -3.07 115.11 112.85 1whb h GLN 144 Ca 0.01 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.25 1whb h GLN 144 Cb 1.02 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 28.38 1whb h GLN 144 CO 0.09 0.00 0.60 0.98 0.09 0.00 0.00 178.83 180.59 1whb n TYR 145 N -2.66 2.15 -3.64 0.06 4.19 -1.09 -4.88 117.16 111.30 1whb n TYR 145 Ca 0.01 -2.28 -0.16 0.00 3.31 0.00 0.00 57.90 58.78 1whb n TYR 145 Cb 0.23 -1.21 -0.07 0.00 0.49 0.00 0.00 39.34 38.78 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 -3.25 0.03 0.25 2.97 -4.23 -1.16 -3.92 115.64 106.33 1whb s THR 146 Ca 0.49 -0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1whb s THR 146 Cb 0.37 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 73.39 1whb s THR 146 CO -0.11 -0.13 1.61 0.71 -0.54 0.00 0.00 174.62 176.17 1whb h THR 147 N 3.45 1.35 -3.17 3.99 1.35 -1.61 -3.40 112.91 114.87 1whb h THR 147 Ca -0.28 -1.77 -0.58 0.00 -0.55 0.00 0.00 66.41 63.23 1whb h THR 147 Cb 1.16 1.84 -0.40 0.00 -1.73 0.00 0.00 68.15 69.01 1whb h THR 147 CO 0.39 0.53 -0.76 0.21 -0.25 0.00 0.00 175.52 175.64 1whb s ASN 148 N -6.89 3.98 -0.28 5.36 2.47 -1.26 -4.98 114.94 113.35 1whb s ASN 148 Ca -0.05 -1.59 0.08 0.00 0.42 0.00 0.00 52.86 51.72 1whb s ASN 148 Cb 0.12 -0.86 0.45 0.00 -1.45 0.00 0.00 41.25 39.52 1whb s ASN 148 CO 0.79 -0.41 1.20 0.00 -3.72 0.00 0.00 177.10 174.97 1whb n ALA 149 N 4.85 4.76 -2.12 1.71 0.00 -1.26 -4.56 120.51 123.89 1whb n ALA 149 Ca -0.02 -3.69 -0.02 0.00 0.00 0.00 0.00 53.44 49.70 1whb n ALA 149 Cb 0.42 -0.33 0.09 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 -0.79 1.70 -0.01 0.00 5.02 -1.26 -4.76 118.16 118.06 1whb n LYS 150 Ca 0.39 -3.22 -0.09 0.00 -2.02 0.00 0.00 58.31 53.37 1whb n LYS 150 Cb 0.91 -1.38 -0.14 0.00 -0.02 0.00 0.00 35.03 34.41 1whb n LYS 150 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1whb h VAL 151 N 3.48 0.97 -3.30 -0.18 -1.51 -1.98 -3.48 116.25 110.25 1whb h VAL 151 Ca 0.01 -2.79 -0.38 0.00 -1.23 0.00 0.00 66.70 62.31 1whb h VAL 151 Cb 1.39 2.49 -0.01 0.00 -2.13 0.00 0.00 31.29 33.03 1whb h VAL 151 CO 0.23 0.58 -0.50 -1.20 -1.23 0.00 0.00 177.57 175.46 1whb n SER 152 N -3.12 -5.49 0.00 4.19 7.64 -1.26 -4.66 113.62 110.91 1whb n SER 152 Ca -0.15 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1whb n SER 152 Cb 1.04 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 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 -1.00 -1.87 0.10 0.23 0.00 -1.26 -4.52 105.19 96.86 1whb n GLY 153 Ca -0.22 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1whb n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whb h PRO 154 N 0.00 0.21 -4.87 1.61 0.13 -2.02 -3.49 132.00 123.56 1whb h PRO 154 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1whb h PRO 154 Cb 0.00 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1whb h PRO 154 CO 0.00 0.57 -1.18 0.43 -0.23 0.00 0.00 178.00 177.59 1whb n SER 155 N -4.72 -5.30 0.03 1.44 7.64 -1.26 -5.05 113.62 106.40 1whb n SER 155 Ca -0.07 1.60 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1whb n SER 155 Cb 0.27 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.49 1whb n SER 155 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whb n SER 156 N 1.84 0.07 0.00 6.43 3.41 -1.26 -5.22 113.62 118.89 1whb n SER 156 Ca -0.18 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1whb n SER 156 Cb 0.28 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49