#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 0.77 0.06 1.61 7.64 -1.22 -5.01 113.62 117.48 1whb n SER 2 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1whb n SER 2 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1whb n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whb n SER 3 N -3.27 0.93 0.00 6.43 3.41 -1.26 -5.02 113.62 114.84 1whb n SER 3 Ca -0.05 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1whb n SER 3 Cb 0.19 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 3.27 0.00 3.96 5.00 0.00 -1.26 -5.11 105.19 111.05 1whb n GLY 4 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1whb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whb s SER 5 N -3.96 5.47 -0.12 1.61 0.15 -1.26 -4.51 113.70 111.08 1whb s SER 5 Ca 0.00 -0.51 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1whb s SER 5 Cb 0.00 -0.70 0.04 0.00 -1.71 0.00 0.00 66.02 63.65 1whb s SER 5 CO 0.00 -0.67 -0.02 -0.94 1.20 0.00 0.00 173.24 172.81 1whb s SER 6 N -4.24 2.17 0.00 5.45 1.04 -1.26 -1.94 113.70 114.91 1whb s SER 6 Ca 0.51 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1whb s SER 6 Cb -0.08 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.42 1whb s SER 6 CO 0.31 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1whb n GLY 7 N 5.04 -0.91 3.22 7.32 0.00 -1.26 -4.94 105.19 113.66 1whb n GLY 7 Ca -0.09 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 0.98 0.27 1.61 1.02 -1.26 -5.09 119.74 117.27 1whb s LYS 8 Ca 0.00 -1.29 0.02 0.00 0.02 0.00 0.00 55.97 54.72 1whb s LYS 8 Cb 0.00 -0.67 -0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1whb s LYS 8 CO 0.00 0.11 0.06 0.00 -0.92 0.00 0.00 175.35 174.60 1whb s GLU 10 N -3.95 2.13 -0.18 0.00 8.01 -1.26 -4.88 118.70 118.56 1whb s GLU 10 Ca 0.35 -0.02 -0.01 0.00 0.01 0.00 0.00 54.97 55.30 1whb s GLU 10 Cb 0.08 -4.96 0.05 0.00 -4.31 0.00 0.00 34.13 24.99 1whb s GLU 10 CO 0.13 -3.90 -0.03 0.99 0.01 0.00 0.00 175.26 172.46 1whb s THR 11 N 12.23 1.02 -0.58 3.63 2.01 -1.26 -5.09 115.64 127.60 1whb s THR 11 Ca 0.79 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1whb s THR 11 Cb -0.09 -1.30 0.15 0.00 0.01 0.00 0.00 72.50 71.27 1whb s THR 11 CO 0.04 -0.01 0.46 -0.54 -0.69 0.00 0.00 174.62 173.88 1whb s LYS 12 N 1.65 2.75 0.60 4.92 1.02 -1.26 -4.99 119.74 124.43 1whb s LYS 12 Ca -0.01 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.93 1whb s LYS 12 Cb -0.16 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.13 1whb s LYS 12 CO -0.07 -1.22 0.00 -1.91 -0.92 0.00 0.00 175.35 171.23 1whb n GLU 13 N 4.47 -3.59 0.03 1.68 4.07 -1.26 -4.83 120.64 121.21 1whb n GLU 13 Ca -0.01 2.87 -0.02 0.00 -0.06 0.00 0.00 57.16 59.94 1whb n GLU 13 Cb 0.41 -3.86 -0.01 0.00 -0.06 0.00 0.00 31.44 27.92 1whb n GLU 13 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1whb h LYS 14 N -0.76 -0.13 -0.27 5.31 1.79 -2.03 -3.43 116.57 117.05 1whb h LYS 14 Ca -0.12 0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.14 1whb h LYS 14 Cb 1.19 0.03 -0.38 0.00 -1.58 0.00 0.00 32.23 31.49 1whb h LYS 14 CO 0.04 -0.08 -1.04 0.41 -1.08 0.00 0.00 179.45 177.70 1whb n GLY 15 N 1.29 1.53 3.13 3.86 0.00 -1.26 -4.98 105.19 108.76 1whb n GLY 15 Ca -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1whb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whb s ALA 16 N -2.42 -0.26 0.13 4.61 0.00 -1.26 -4.17 121.76 118.38 1whb s ALA 16 Ca 0.28 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.03 1whb s ALA 16 Cb 0.34 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1whb s ALA 16 CO -0.08 -0.28 -0.22 -1.50 0.00 0.00 0.00 175.76 173.68 1whb s ILE 17 N -2.05 1.88 0.28 0.00 2.07 -1.17 -4.64 121.20 117.56 1whb s ILE 17 Ca -0.09 -1.69 0.06 0.00 -1.41 0.00 0.00 60.65 57.52 1whb s ILE 17 Cb -0.04 -1.73 -0.02 0.00 0.13 0.00 0.00 42.46 40.79 1whb s ILE 17 CO -0.02 -0.09 0.36 0.42 -1.91 0.00 0.00 174.94 173.71 1whb s THR 18 N -1.35 4.63 0.49 4.00 -4.23 -1.26 -2.91 115.64 115.01 1whb s THR 18 Ca 0.11 -1.09 0.14 0.00 -1.18 0.00 0.00 61.69 59.66 1whb s THR 18 Cb -0.09 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.41 1whb s THR 18 CO 0.05 -0.27 2.11 0.00 -0.54 0.00 0.00 174.62 175.98 1whb h ALA 19 N 1.15 1.90 -0.01 3.99 0.00 -1.97 -1.71 119.26 122.62 1whb h ALA 19 Ca -0.49 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.13 1whb h ALA 19 Cb 1.24 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1whb h ALA 19 CO 0.58 0.08 -1.01 -0.22 0.00 0.00 0.00 179.25 178.68 1whb h LYS 20 N 0.11 0.70 -0.65 0.00 3.11 -1.99 -2.48 116.57 115.37 1whb h LYS 20 Ca 0.03 -0.74 -0.04 0.00 -2.81 0.00 0.00 60.65 57.09 1whb h LYS 20 Cb 0.03 0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 1whb h LYS 20 CO -0.00 1.32 0.25 0.93 -2.81 0.00 0.00 179.45 179.14 1whb h GLU 21 N 0.38 0.97 -0.48 1.90 5.08 -1.81 -1.75 114.58 118.87 1whb h GLU 21 Ca -0.12 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1whb h GLU 21 Cb 1.66 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1whb h GLU 21 CO 0.20 0.82 -0.22 1.25 -1.00 0.00 0.00 179.01 180.06 1whb h LEU 22 N 0.91 1.03 -0.32 1.33 5.85 -1.39 -2.57 115.31 120.15 1whb h LEU 22 Ca 0.21 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1whb h LEU 22 Cb 0.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1whb h LEU 22 CO -0.02 1.20 0.19 0.22 -0.34 0.00 0.00 178.44 179.69 1whb h TYR 23 N 0.86 0.42 -0.48 1.25 5.03 -1.21 0.30 116.97 123.14 1whb h TYR 23 Ca 0.11 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1whb h TYR 23 Cb 0.80 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 1whb h TYR 23 CO 0.05 0.31 0.22 1.15 -1.32 0.00 0.00 178.16 178.57 1whb h THR 24 N 0.41 1.17 0.05 1.81 2.02 -1.28 0.20 112.91 117.27 1whb h THR 24 Ca 0.11 -0.48 -0.25 0.00 0.77 0.00 0.00 66.41 66.56 1whb h THR 24 Cb 0.02 0.57 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1whb h THR 24 CO -0.02 0.20 -1.07 0.24 0.37 0.00 0.00 175.52 175.24 1whb h MET 25 N 0.67 0.46 -0.28 6.66 2.86 -1.02 -2.53 114.93 121.75 1whb h MET 25 Ca 0.17 -0.56 -0.08 0.00 -2.06 0.00 0.00 59.70 57.18 1whb h MET 25 Cb 0.09 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1whb h MET 25 CO -0.02 1.20 -0.12 0.52 1.06 0.00 0.00 176.91 179.55 1whb h MET 26 N 0.23 0.58 -0.31 1.72 2.07 0.02 -3.21 114.93 116.03 1whb h MET 26 Ca -0.12 -0.25 -0.04 0.00 -2.07 0.00 0.00 59.70 57.23 1whb h MET 26 Cb 1.73 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.42 1whb h MET 26 CO 0.19 0.81 0.05 1.15 1.07 0.00 0.00 176.91 180.18 1whb h THR 27 N 0.32 1.23 -2.92 2.22 2.02 -1.05 -3.42 112.91 111.32 1whb h THR 27 Ca 0.06 -0.81 -0.53 0.00 0.77 0.00 0.00 66.41 65.90 1whb h THR 27 Cb 0.63 1.16 0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1whb h THR 27 CO 0.04 0.27 0.80 -1.81 0.37 0.00 0.00 175.52 175.19 1whb s ASP 28 N -5.94 6.77 -0.43 4.18 1.11 -0.95 -4.91 116.67 116.50 1whb s ASP 28 Ca -0.13 2.35 0.04 0.00 0.18 0.00 0.00 52.55 54.98 1whb s ASP 28 Cb 0.09 -2.58 0.63 0.00 1.07 0.00 0.00 42.92 42.13 1whb s ASP 28 CO 0.75 -0.72 1.87 0.29 1.18 0.00 0.00 175.17 178.54 1whb n LYS 29 N 4.44 2.18 -0.05 8.23 4.01 -1.26 -4.18 118.16 131.54 1whb n LYS 29 Ca 0.13 -2.84 -0.06 0.00 -0.51 0.00 0.00 58.31 55.03 1whb n LYS 29 Cb 0.42 -2.11 -0.07 0.00 -0.51 0.00 0.00 35.03 32.75 1whb n LYS 29 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1whb n ASN 30 N -1.05 2.78 -4.76 4.39 3.02 -1.26 -4.99 115.26 113.39 1whb n ASN 30 Ca 0.57 -0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.74 1whb n ASN 30 Cb 1.60 0.44 -0.08 0.00 -0.61 0.00 0.00 39.78 41.13 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1whb s ILE 31 N -2.23 5.25 -0.29 2.41 1.01 -1.26 -5.07 121.20 121.01 1whb s ILE 31 Ca -0.08 0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1whb s ILE 31 Cb 0.03 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1whb s ILE 31 CO 0.36 0.52 0.81 -0.44 0.00 0.00 0.00 174.94 176.18 1whb s SER 32 N -0.20 6.71 0.01 3.58 0.01 -1.26 -4.94 113.70 117.61 1whb s SER 32 Ca 0.10 0.76 0.01 0.00 1.31 0.00 0.00 55.95 58.13 1whb s SER 32 Cb -0.12 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1whb s SER 32 CO 0.01 -0.60 -0.04 -0.22 0.41 0.00 0.00 173.24 172.80 1whb s LEU 33 N 2.97 2.12 -0.01 2.44 2.96 -1.26 -1.10 118.68 126.80 1whb s LEU 33 Ca 0.33 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1whb s LEU 33 Cb -0.14 -0.07 -0.00 0.00 0.50 0.00 0.00 46.19 46.48 1whb s LEU 33 CO 0.11 -0.11 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.33 1whb s ILE 34 N -0.73 0.57 0.24 6.68 1.01 -1.24 -5.04 121.20 122.69 1whb s ILE 34 Ca -0.06 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1whb s ILE 34 Cb -0.05 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1whb s ILE 34 CO -0.00 0.17 0.04 -0.63 0.00 0.00 0.00 174.94 174.52 1whb s ILE 35 N -0.04 3.71 0.00 2.92 1.09 -1.26 -2.05 121.20 125.58 1whb s ILE 35 Ca 0.01 -1.71 -0.01 0.00 -1.10 0.00 0.00 60.65 57.84 1whb s ILE 35 Cb -0.04 -2.97 -0.01 0.00 -1.06 0.00 0.00 42.46 38.38 1whb s ILE 35 CO -0.00 -0.32 0.01 -0.04 -0.10 0.00 0.00 174.94 174.49 1whb s MET 36 N -3.56 0.18 -0.77 2.79 -1.94 -1.02 0.11 119.30 115.08 1whb s MET 36 Ca 0.31 -0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 53.89 1whb s MET 36 Cb -0.07 0.07 0.20 0.00 2.01 0.00 0.00 34.83 37.04 1whb s MET 36 CO 0.21 -0.03 0.69 -0.51 -0.01 0.00 0.00 175.02 175.37 1whb s ASP 37 N -0.72 6.48 -0.87 3.03 1.11 -0.30 -0.94 116.67 124.46 1whb s ASP 37 Ca -0.08 -2.65 -0.18 0.00 0.18 0.00 0.00 52.55 49.82 1whb s ASP 37 Cb -0.05 -2.15 -0.12 0.00 1.07 0.00 0.00 42.92 41.67 1whb s ASP 37 CO -0.00 -0.56 1.99 0.00 1.18 0.00 0.00 175.17 177.78 1whb n ALA 38 N 3.99 3.80 -3.79 5.23 0.00 -1.25 -2.97 120.51 125.53 1whb n ALA 38 Ca 0.11 -3.15 -0.14 0.00 0.00 0.00 0.00 53.44 50.26 1whb n ALA 38 Cb 0.45 -3.52 -0.04 0.00 0.00 0.00 0.00 19.45 16.34 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 6.42 0.31 -0.49 0.00 3.00 -1.16 -4.72 116.66 120.02 1whb n ARG 39 Ca 0.49 -2.10 -0.28 0.00 -0.01 0.00 0.00 57.85 55.96 1whb n ARG 39 Cb 0.36 1.78 0.26 0.00 0.00 0.00 0.00 32.46 34.85 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 -0.41 -4.06 0.05 5.56 1.74 -1.26 -0.16 116.66 118.13 1whb n ARG 40 Ca 0.04 -1.45 -0.08 0.00 -0.77 0.00 0.00 57.85 55.59 1whb n ARG 40 Cb 0.39 -1.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.00 0.03 -0.01 5.56 4.05 -1.94 -3.28 114.93 119.33 1whb h MET 41 Ca -0.37 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 58.86 1whb h MET 41 Cb 1.20 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 1whb h MET 41 CO 0.23 0.96 -0.68 1.96 0.23 0.00 0.00 176.91 179.62 1whb h GLN 42 N 0.01 0.07 -0.11 0.39 4.20 -2.00 -3.11 115.11 114.55 1whb h GLN 42 Ca -0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1whb h GLN 42 Cb 1.82 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.60 1whb h GLN 42 CO 0.13 0.72 0.06 -0.44 -0.67 0.00 0.00 178.83 178.62 1whb h ASP 43 N 0.04 0.15 -0.46 1.46 3.32 -1.90 -1.16 116.42 117.87 1whb h ASP 43 Ca -0.01 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1whb h ASP 43 Cb 1.20 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1whb h ASP 43 CO 0.09 0.22 0.28 0.22 -1.72 0.00 0.00 179.24 178.34 1whb h TYR 44 N 0.06 0.53 -0.95 4.55 3.20 -1.60 0.78 116.97 123.55 1whb h TYR 44 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1whb h TYR 44 Cb 0.11 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1whb h TYR 44 CO -0.03 0.32 0.57 1.96 -1.64 0.00 0.00 178.16 179.33 1whb h GLN 45 N 0.57 1.29 0.14 1.82 1.08 -1.45 -3.26 115.11 115.29 1whb h GLN 45 Ca 0.18 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1whb h GLN 45 Cb -0.01 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.15 1whb h GLN 45 CO -0.07 0.90 -0.07 -0.44 -0.95 0.00 0.00 178.83 178.21 1whb h ASP 46 N 1.31 -0.16 -4.40 1.46 3.32 -0.69 -3.47 116.42 113.79 1whb h ASP 46 Ca 0.34 0.01 -0.65 0.00 0.02 0.00 0.00 57.03 56.74 1whb h ASP 46 Cb -0.05 0.04 -0.28 0.00 0.22 0.00 0.00 39.33 39.26 1whb h ASP 46 CO -0.06 0.25 -0.87 -0.44 -1.72 0.00 0.00 179.24 176.40 1whb s SER 47 N -4.96 2.84 -0.28 6.45 0.01 0.27 -4.70 113.70 113.32 1whb s SER 47 Ca -0.03 -0.50 -0.25 0.00 1.31 0.00 0.00 55.95 56.48 1whb s SER 47 Cb 0.00 -0.28 0.12 0.00 0.21 0.00 0.00 66.02 66.07 1whb s SER 47 CO 0.08 0.25 1.02 0.00 0.41 0.00 0.00 173.24 175.00 1whb s ILE 49 N 0.28 3.74 0.31 0.00 1.01 -1.26 -1.80 121.20 123.49 1whb s ILE 49 Ca 0.03 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 61.97 1whb s ILE 49 Cb -0.05 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 1whb s ILE 49 CO -0.06 0.25 1.30 -0.76 0.00 0.00 0.00 174.94 175.67 1whb s LEU 50 N -1.83 4.43 -1.25 2.97 1.43 -1.21 -3.10 118.68 120.11 1whb s LEU 50 Ca 0.49 2.64 -0.05 0.00 -1.03 0.00 0.00 54.13 56.17 1whb s LEU 50 Cb -0.26 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1whb s LEU 50 CO 0.33 -0.52 1.08 1.41 0.23 0.00 0.00 176.35 178.88 1whb n HIS 51 N 1.10 -2.52 -4.38 0.29 8.25 -1.26 -4.98 115.22 111.72 1whb n HIS 51 Ca 0.01 0.96 -0.19 0.00 -0.26 0.00 0.00 57.72 58.24 1whb n HIS 51 Cb 0.42 -4.97 -0.10 0.00 1.12 0.00 0.00 29.99 26.47 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 -3.75 1.73 0.34 0.41 1.04 -1.18 -4.67 113.70 107.62 1whb s SER 52 Ca 0.32 -1.45 0.08 0.00 0.48 0.00 0.00 55.95 55.38 1whb s SER 52 Cb -0.14 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1whb s SER 52 CO 0.71 -0.75 0.28 -0.22 0.98 0.00 0.00 173.24 174.24 1whb s LEU 53 N -3.40 3.56 0.29 2.42 2.96 0.30 -4.94 118.68 119.86 1whb s LEU 53 Ca 0.35 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1whb s LEU 53 Cb 0.07 -2.16 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1whb s LEU 53 CO 0.15 -0.36 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.23 1whb s SER 54 N -3.98 2.73 -0.30 3.68 0.15 -1.26 -1.15 113.70 113.56 1whb s SER 54 Ca 0.41 -1.22 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 1whb s SER 54 Cb -0.05 -0.16 0.18 0.00 -1.71 0.00 0.00 66.02 64.27 1whb s SER 54 CO 0.26 -0.38 0.95 0.54 1.20 0.00 0.00 173.24 175.81 1whb s VAL 55 N -3.04 -0.50 0.27 4.45 0.11 -1.16 -4.69 120.40 115.84 1whb s VAL 55 Ca 0.30 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.05 1whb s VAL 55 Cb 0.05 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.79 1whb s VAL 55 CO 0.12 0.00 1.52 -2.16 -3.33 0.00 0.00 175.10 171.25 1whb s PRO 56 N 2.80 4.19 0.27 1.54 0.04 -1.24 -2.97 135.00 139.63 1whb s PRO 56 Ca 0.03 2.45 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 1whb s PRO 56 Cb -0.10 -3.06 0.35 0.00 0.04 0.00 0.00 34.50 31.73 1whb s PRO 56 CO -0.15 -0.53 1.82 1.49 0.04 0.00 0.00 177.00 179.67 1whb h GLU 57 N 4.89 0.90 -0.25 4.56 4.81 -0.81 -2.24 114.58 126.45 1whb h GLU 57 Ca -0.47 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 58.63 1whb h GLU 57 Cb 1.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1whb h GLU 57 CO 0.78 0.79 0.17 1.49 -0.73 0.00 0.00 179.01 181.51 1whb h GLU 58 N 0.87 0.12 0.00 1.92 4.57 -1.91 -0.76 114.58 119.39 1whb h GLU 58 Ca 0.19 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.18 1whb h GLU 58 Cb 0.28 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1whb h GLU 58 CO -0.01 0.08 -0.88 0.00 -1.18 0.00 0.00 179.01 177.03 1whb h ALA 59 N 1.87 0.55 -2.27 2.92 0.00 -1.73 -3.42 119.26 117.18 1whb h ALA 59 Ca 0.11 -0.78 -0.62 0.00 0.00 0.00 0.00 54.91 53.62 1whb h ALA 59 Cb 0.29 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 1whb h ALA 59 CO -0.01 1.06 0.24 0.42 0.00 0.00 0.00 179.25 180.96 1whb s ILE 60 N -3.04 4.83 0.24 0.00 1.01 -0.29 -4.64 121.20 119.31 1whb s ILE 60 Ca -0.00 0.76 0.09 0.00 0.00 0.00 0.00 60.65 61.50 1whb s ILE 60 Cb 0.11 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1whb s ILE 60 CO 0.80 -0.34 -0.03 -0.44 0.00 0.00 0.00 174.94 174.94 1whb s SER 61 N 1.78 4.46 -0.46 3.58 0.01 -1.26 -4.87 113.70 116.94 1whb s SER 61 Ca 0.27 -0.63 -0.28 0.00 1.31 0.00 0.00 55.95 56.63 1whb s SER 61 Cb -0.14 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 1whb s SER 61 CO 0.15 0.03 1.79 -2.16 0.41 0.00 0.00 173.24 173.47 1whb s PRO 62 N -3.43 3.05 0.00 12.44 0.04 -1.26 -3.73 135.00 142.11 1whb s PRO 62 Ca 0.30 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1whb s PRO 62 Cb -0.07 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1whb s PRO 62 CO 0.19 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1whb n GLY 63 N 5.51 0.68 3.34 0.56 0.00 -1.26 -5.07 105.19 108.96 1whb n GLY 63 Ca 0.21 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.41 0.00 -4.29 1.61 0.24 -1.24 -5.18 118.33 109.06 1whb n VAL 64 Ca 0.00 -2.45 -0.23 0.00 -2.04 0.00 0.00 64.34 59.62 1whb n VAL 64 Cb 0.16 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 1whb n VAL 64 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1whb n THR 65 N -0.80 0.00 0.13 3.34 -2.24 -1.26 -4.51 114.28 108.94 1whb n THR 65 Ca 0.00 -1.76 -0.01 0.00 -2.27 0.00 0.00 64.05 60.01 1whb n THR 65 Cb 0.62 0.18 0.22 0.00 -2.10 0.00 0.00 70.33 69.25 1whb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1whb h ALA 66 N 1.01 1.09 -0.24 6.98 0.00 -1.78 -2.93 119.26 123.39 1whb h ALA 66 Ca -0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 1whb h ALA 66 Cb 0.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1whb h ALA 66 CO 0.49 0.64 -0.02 1.03 0.00 0.00 0.00 179.25 181.39 1whb h SER 67 N 0.09 0.32 0.22 0.00 0.87 -1.95 0.12 113.55 113.22 1whb h SER 67 Ca 0.00 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1whb h SER 67 Cb 0.92 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1whb h SER 67 CO 0.07 0.40 -0.11 -0.25 -0.53 0.00 0.00 176.83 176.41 1whb h TRP 68 N 0.34 -0.28 -0.45 2.24 2.91 -1.92 -2.36 115.95 116.44 1whb h TRP 68 Ca 0.08 -0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.96 1whb h TRP 68 Cb 0.26 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 1whb h TRP 68 CO 0.01 0.00 -0.22 0.82 -1.03 0.00 0.00 178.44 178.02 1whb h ILE 69 N -0.54 1.27 -0.22 2.65 2.04 -1.55 -2.69 117.51 118.47 1whb h ILE 69 Ca -0.03 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 64.52 1whb h ILE 69 Cb 0.40 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1whb h ILE 69 CO 0.05 0.47 0.18 -0.08 0.00 0.00 0.00 178.15 178.77 1whb h GLU 70 N 0.77 0.00 0.00 2.37 4.81 -0.76 -0.52 114.58 121.26 1whb h GLU 70 Ca 0.10 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 1whb h GLU 70 Cb 0.79 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1whb h GLU 70 CO 0.07 0.00 -1.16 0.00 -0.73 0.00 0.00 179.01 177.19 1whb h ALA 71 N 1.85 0.52 -2.84 2.92 0.00 -1.17 -3.39 119.26 117.14 1whb h ALA 71 Ca 0.10 -1.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.32 1whb h ALA 71 Cb 0.46 0.05 -0.37 0.00 0.00 0.00 0.00 17.79 17.94 1whb h ALA 71 CO -0.00 1.25 -0.16 0.72 0.00 0.00 0.00 179.25 181.05 1whb n HIS 72 N -3.22 4.02 -3.62 0.00 8.25 -0.20 -5.03 115.22 115.41 1whb n HIS 72 Ca -0.05 -4.13 -0.14 0.00 -0.26 0.00 0.00 57.72 53.14 1whb n HIS 72 Cb 0.94 -1.04 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 1whb n HIS 72 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1whb s LEU 73 N -1.47 0.13 0.00 2.41 1.43 -1.23 -4.73 118.68 115.22 1whb s LEU 73 Ca 0.28 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1whb s LEU 73 Cb -0.05 1.93 0.00 0.00 0.03 0.00 0.00 46.19 48.10 1whb s LEU 73 CO -0.13 -0.65 0.00 -2.65 0.23 0.00 0.00 176.35 173.16 1whb n PRO 74 N 0.63 -0.12 -0.02 1.29 -0.02 -1.26 -4.78 135.00 130.72 1whb n PRO 74 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.28 1whb n PRO 74 Cb 0.59 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.07 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 -1.08 0.00 0.07 2.55 5.19 -2.02 -3.20 116.42 117.93 1whb h ASP 75 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1whb h ASP 75 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1whb h ASP 75 CO 0.00 0.23 -0.05 0.44 -3.12 0.00 0.00 179.24 176.74 1whb h ASP 76 N -0.34 0.00 0.63 6.45 5.19 -2.02 -1.49 116.42 124.84 1whb h ASP 76 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1whb h ASP 76 Cb 0.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1whb h ASP 76 CO 0.00 0.05 -0.66 -1.28 -3.12 0.00 0.00 179.24 174.23 1whb h SER 77 N 0.00 0.04 0.21 6.45 0.87 -1.94 -3.05 113.55 116.13 1whb h SER 77 Ca -0.00 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1whb h SER 77 Cb 0.10 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1whb h SER 77 CO 0.01 0.68 -0.27 0.50 -0.53 0.00 0.00 176.83 177.23 1whb h LYS 78 N 0.02 0.11 0.46 2.24 1.63 -1.26 -1.85 116.57 117.92 1whb h LYS 78 Ca -0.01 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1whb h LYS 78 Cb 1.17 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1whb h LYS 78 CO 0.09 0.37 -0.22 0.22 -3.45 0.00 0.00 179.45 176.46 1whb h ASP 79 N 0.10 -0.53 -0.12 4.20 1.82 -1.48 -3.02 116.42 117.39 1whb h ASP 79 Ca 0.02 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1whb h ASP 79 Cb 0.53 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1whb h ASP 79 CO 0.04 -0.33 0.10 0.74 -1.61 0.00 0.00 179.24 178.18 1whb h THR 80 N -0.71 0.80 -0.69 2.25 2.02 -1.62 -1.38 112.91 113.57 1whb h THR 80 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1whb h THR 80 Cb 0.48 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1whb h THR 80 CO 0.10 0.00 0.46 -0.25 0.37 0.00 0.00 175.52 176.20 1whb h TRP 81 N 0.00 0.71 0.00 3.16 2.91 -1.24 -0.42 115.95 121.08 1whb h TRP 81 Ca 0.06 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.10 1whb h TRP 81 Cb 0.26 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 1whb h TRP 81 CO 0.00 0.38 -0.34 0.87 -1.03 0.00 0.00 178.44 178.32 1whb h LYS 82 N 0.71 0.00 -0.33 2.65 1.57 -1.13 -3.23 116.57 116.80 1whb h LYS 82 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1whb h LYS 82 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1whb h LYS 82 CO -0.10 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.41 1whb n LYS 83 N -2.74 1.77 0.19 3.15 5.02 -0.19 -4.04 118.16 121.32 1whb n LYS 83 Ca 0.03 -1.18 0.03 0.00 -2.02 0.00 0.00 58.31 55.17 1whb n LYS 83 Cb 0.51 -1.26 0.37 0.00 -0.02 0.00 0.00 35.03 34.63 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1whb h ARG 84 N 1.92 0.00 0.00 1.97 -0.00 -1.52 -2.45 114.38 114.30 1whb h ARG 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1whb h ARG 84 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1whb h ARG 84 CO 0.00 0.36 -0.09 0.41 -0.00 0.00 0.00 179.97 180.65 1whb n GLY 85 N -0.46 -1.64 0.09 0.08 0.00 -1.26 -3.55 105.19 98.45 1whb n GLY 85 Ca -0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1whb n GLY 85 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1whb h ASN 86 N 0.00 0.18 -3.51 1.61 -0.73 -1.71 -3.47 115.58 107.96 1whb h ASN 86 Ca 0.00 -0.24 -0.39 0.00 1.87 0.00 0.00 56.30 57.54 1whb h ASN 86 Cb 0.70 -0.06 0.17 0.00 0.27 0.00 0.00 38.32 39.41 1whb h ASN 86 CO 0.00 1.19 0.26 1.33 -0.37 0.00 0.00 177.43 179.85 1whb n VAL 87 N -3.35 0.00 0.00 2.57 0.24 -1.17 -5.01 118.33 111.61 1whb n VAL 87 Ca -0.10 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1whb n VAL 87 Cb 1.01 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 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 -4.12 0.00 -2.53 7.34 2.13 -0.26 -4.68 120.64 118.52 1whb n GLU 88 Ca 0.15 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.74 1whb n GLU 88 Cb 0.55 -0.23 0.04 0.00 0.27 0.00 0.00 31.44 32.07 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 -0.48 2.97 -0.02 4.31 1.51 -1.02 -3.84 117.35 120.78 1whb s TYR 89 Ca 0.00 0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 56.19 1whb s TYR 89 Cb 0.00 -2.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.05 1whb s TYR 89 CO 0.00 -0.95 0.22 0.08 -1.11 0.00 0.00 175.55 173.79 1whb s VAL 90 N -2.90 0.06 0.00 0.71 1.01 -1.26 -3.73 120.40 114.28 1whb s VAL 90 Ca 0.56 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1whb s VAL 90 Cb -0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 1whb s VAL 90 CO 0.41 -0.25 0.11 -0.69 0.00 0.00 0.00 175.10 174.68 1whb s VAL 91 N -1.02 0.08 0.55 2.92 1.01 -0.87 -1.97 120.40 121.10 1whb s VAL 91 Ca -0.11 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1whb s VAL 91 Cb -0.05 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1whb s VAL 91 CO 0.02 -0.37 0.18 -0.76 0.00 0.00 0.00 175.10 174.17 1whb s LEU 92 N -1.29 2.36 0.36 3.92 1.43 0.97 -2.43 118.68 124.00 1whb s LEU 92 Ca -0.14 -1.54 0.05 0.00 -1.03 0.00 0.00 54.13 51.48 1whb s LEU 92 Cb -0.08 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 1whb s LEU 92 CO 0.01 -1.04 0.21 -0.76 0.23 0.00 0.00 176.35 175.00 1whb s LEU 93 N -4.09 1.82 0.00 1.79 1.43 -0.11 -2.07 118.68 117.45 1whb s LEU 93 Ca 0.14 -1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 51.26 1whb s LEU 93 Cb -0.01 0.27 0.09 0.00 0.03 0.00 0.00 46.19 46.57 1whb s LEU 93 CO 0.09 -1.00 1.25 -0.90 0.23 0.00 0.00 176.35 176.02 1whb n ASP 94 N -1.38 -1.29 -0.10 2.29 5.75 -1.26 -3.80 116.55 116.76 1whb n ASP 94 Ca 0.01 -1.35 -0.16 0.00 -0.01 0.00 0.00 54.79 53.29 1whb n ASP 94 Cb 0.64 2.01 -0.06 0.00 -1.03 0.00 0.00 41.12 42.68 1whb n ASP 94 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1whb n TRP 95 N -0.90 0.28 -3.14 2.11 5.03 -1.26 0.11 117.44 119.67 1whb n TRP 95 Ca 0.04 0.12 -0.20 0.00 3.03 0.00 0.00 57.50 60.49 1whb n TRP 95 Cb 0.58 -0.76 -0.05 0.00 -1.03 0.00 0.00 31.31 30.05 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 -4.42 -1.66 -3.86 -5.99 3.72 -1.26 -4.25 117.46 99.74 1whb n PHE 96 Ca -0.27 -2.80 -0.05 0.00 -0.05 0.00 0.00 57.45 54.29 1whb n PHE 96 Cb 0.60 0.51 0.02 0.00 -0.94 0.00 0.00 39.48 39.67 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 -0.27 -0.01 0.35 4.37 1.04 -1.26 -5.11 113.70 112.82 1whb s SER 97 Ca 0.33 -0.79 -0.14 0.00 0.48 0.00 0.00 55.95 55.83 1whb s SER 97 Cb 0.08 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1whb s SER 97 CO -0.15 -1.18 0.71 -0.44 0.98 0.00 0.00 173.24 173.15 1whb s SER 98 N -3.29 0.12 0.47 7.02 0.01 -1.26 -3.76 113.70 113.01 1whb s SER 98 Ca 0.19 -1.11 0.15 0.00 1.31 0.00 0.00 55.95 56.49 1whb s SER 98 Cb -0.03 0.79 1.09 0.00 0.21 0.00 0.00 66.02 68.07 1whb s SER 98 CO 0.07 -1.54 2.04 0.00 0.41 0.00 0.00 173.24 174.21 1whb h ALA 99 N 2.03 1.77 0.00 1.44 0.00 -1.88 -1.84 119.26 120.78 1whb h ALA 99 Ca -0.29 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1whb h ALA 99 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1whb h ALA 99 CO 0.37 0.17 -0.79 0.87 0.00 0.00 0.00 179.25 179.87 1whb h LYS 100 N 0.00 0.00 -0.69 0.00 6.56 -1.95 -3.24 116.57 117.24 1whb h LYS 100 Ca -0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1whb h LYS 100 Cb 0.24 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1whb h LYS 100 CO 0.02 0.53 0.00 -0.25 -2.06 0.00 0.00 179.45 177.69 1whb n ASP 101 N -3.17 4.55 -4.57 0.86 8.00 -0.73 -4.83 116.55 116.66 1whb n ASP 101 Ca -0.01 -2.70 -0.32 0.00 0.71 0.00 0.00 54.79 52.47 1whb n ASP 101 Cb 0.79 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 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 -2.06 3.30 0.95 0.64 1.43 -1.00 -4.66 118.68 117.28 1whb s LEU 102 Ca 0.41 -1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 1whb s LEU 102 Cb 0.31 -2.58 0.16 0.00 0.03 0.00 0.00 46.19 44.12 1whb s LEU 102 CO 0.12 -2.39 1.12 -1.10 0.23 0.00 0.00 176.35 174.33 1whb s GLN 103 N 5.98 0.77 -0.89 1.70 -0.21 -1.26 -4.86 119.66 120.89 1whb s GLN 103 Ca 0.63 1.37 -0.25 0.00 0.02 0.00 0.00 55.36 57.13 1whb s GLN 103 Cb -0.01 -1.71 -0.01 0.00 1.00 0.00 0.00 33.01 32.27 1whb s GLN 103 CO 0.05 -2.74 1.73 0.42 -2.12 0.00 0.00 175.29 172.63 1whb s ILE 104 N -2.65 3.60 0.00 1.08 1.01 -1.26 -3.35 121.20 119.63 1whb s ILE 104 Ca 0.66 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1whb s ILE 104 Cb -0.23 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1whb s ILE 104 CO 0.59 -1.32 0.00 0.61 0.00 0.00 0.00 174.94 174.82 1whb n GLY 105 N 6.60 0.98 3.76 6.18 0.00 -1.26 -5.15 105.19 116.31 1whb n GLY 105 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.91 2.15 0.23 2.61 -4.23 -1.21 -4.86 115.64 109.41 1whb s THR 106 Ca 0.00 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1whb s THR 106 Cb 0.00 -2.85 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 1whb s THR 106 CO 0.00 0.00 1.53 0.74 -0.54 0.00 0.00 174.62 176.35 1whb h THR 107 N 1.35 1.42 0.01 3.99 2.02 -1.93 -2.06 112.91 117.70 1whb h THR 107 Ca -0.42 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 64.60 1whb h THR 107 Cb 1.26 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 1whb h THR 107 CO 0.69 0.63 -0.08 -0.07 0.37 0.00 0.00 175.52 177.05 1whb h LEU 108 N 0.14 0.06 -0.17 2.58 3.38 -1.93 -2.24 115.31 117.14 1whb h LEU 108 Ca -0.01 -0.87 0.01 0.00 0.09 0.00 0.00 57.88 57.10 1whb h LEU 108 Cb 1.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1whb h LEU 108 CO 0.10 0.92 0.07 -0.09 0.09 0.00 0.00 178.44 179.54 1whb h ARG 109 N -0.79 0.16 -0.62 1.13 2.43 -1.87 0.85 114.38 115.68 1whb h ARG 109 Ca -0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1whb h ARG 109 Cb 0.94 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1whb h ARG 109 CO 0.02 0.11 0.14 0.66 -1.51 0.00 0.00 179.97 179.38 1whb h SER 110 N 0.17 0.92 0.05 -3.80 4.64 -1.50 -2.66 113.55 111.36 1whb h SER 110 Ca 0.07 -0.18 -0.21 0.00 -0.47 0.00 0.00 61.79 61.00 1whb h SER 110 Cb 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1whb h SER 110 CO -0.05 0.90 -0.76 0.25 -0.87 0.00 0.00 176.83 176.29 1whb h LEU 111 N 0.93 0.72 -1.85 5.97 5.85 -0.98 -2.04 115.31 123.90 1whb h LEU 111 Ca 0.20 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1whb h LEU 111 Cb 0.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1whb h LEU 111 CO 0.00 1.25 0.13 0.50 -0.34 0.00 0.00 178.44 179.98 1whb h LYS 112 N 0.41 0.19 -0.01 1.25 3.11 0.97 -0.85 116.57 121.64 1whb h LYS 112 Ca -0.04 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1whb h LYS 112 Cb 1.36 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1whb h LYS 112 CO 0.14 0.13 -0.48 -0.25 -2.81 0.00 0.00 179.45 176.18 1whb n ASP 113 N -4.51 1.58 -1.45 4.20 8.00 -1.03 -4.05 116.55 119.30 1whb n ASP 113 Ca 0.00 -1.24 0.04 0.00 0.71 0.00 0.00 54.79 54.31 1whb n ASP 113 Cb 0.12 0.43 0.27 0.00 -0.02 0.00 0.00 41.12 41.93 1whb n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1whb n ALA 114 N -0.42 3.46 0.00 2.24 0.00 -0.33 -0.60 120.51 124.87 1whb n ALA 114 Ca 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1whb n ALA 114 Cb 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.41 0.32 -0.11 0.00 4.77 -1.23 -3.57 117.00 117.59 1whb n LEU 115 Ca 0.19 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 1whb n LEU 115 Cb 0.90 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.91 1whb n LEU 115 CO 0.22 -0.15 -1.23 0.33 -1.33 0.00 0.00 177.39 175.24 1whb n PHE 116 N -2.20 0.00 -0.11 -1.77 -0.00 -1.26 -4.61 117.46 107.52 1whb n PHE 116 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 1whb n PHE 116 Cb 0.11 -0.76 -0.00 0.00 -0.00 0.00 0.00 39.48 38.83 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1whb h LYS 117 N -0.77 0.44 -4.36 -4.13 3.11 -1.76 -3.37 116.57 105.74 1whb h LYS 117 Ca -0.54 -0.03 -0.73 0.00 -2.81 0.00 0.00 60.65 56.55 1whb h LYS 117 Cb 1.47 -0.10 -0.27 0.00 -1.00 0.00 0.00 32.23 32.32 1whb h LYS 117 CO -0.33 0.29 -0.41 -1.58 -2.81 0.00 0.00 179.45 174.62 1whb s TRP 118 N -6.16 3.34 -0.02 1.91 0.23 0.23 -5.01 118.94 113.46 1whb s TRP 118 Ca -0.13 -1.49 -0.09 0.00 -2.03 0.00 0.00 56.10 52.36 1whb s TRP 118 Cb 0.10 -3.18 0.03 0.00 0.03 0.00 0.00 33.47 30.45 1whb s TRP 118 CO 0.72 -0.89 0.40 0.39 0.96 0.00 0.00 176.95 178.53 1whb n GLU 119 N 4.99 0.03 0.00 4.98 -0.58 -1.26 -4.19 120.64 124.60 1whb n GLU 119 Ca -0.10 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1whb n GLU 119 Cb 0.42 0.34 0.00 0.00 -0.57 0.00 0.00 31.44 31.63 1whb n GLU 119 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1whb n SER 120 N -0.37 0.00 -0.07 1.62 2.88 -1.26 -5.01 113.62 111.41 1whb n SER 120 Ca 0.02 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.51 1whb n SER 120 Cb 0.17 0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 1whb n SER 120 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1whb h LYS 121 N 0.00 0.00 -4.97 -1.46 3.11 -2.01 -3.45 116.57 107.78 1whb h LYS 121 Ca 0.00 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.19 1whb h LYS 121 Cb 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 32.23 30.97 1whb h LYS 121 CO 0.00 0.14 -0.68 0.99 -2.81 0.00 0.00 179.45 177.08 1whb s THR 122 N -2.00 3.74 0.01 1.00 2.01 -1.26 -5.09 115.64 114.04 1whb s THR 122 Ca -0.11 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1whb s THR 122 Cb 0.01 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1whb s THR 122 CO 0.20 0.38 -0.08 0.54 -0.69 0.00 0.00 174.62 174.97 1whb s VAL 123 N 1.53 0.62 0.82 3.82 0.11 -1.26 -4.90 120.40 121.14 1whb s VAL 123 Ca 0.06 -0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 58.51 1whb s VAL 123 Cb -0.15 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.24 1whb s VAL 123 CO -0.01 0.06 1.09 -0.76 -3.33 0.00 0.00 175.10 172.16 1whb s LEU 124 N -0.48 2.59 0.21 2.54 1.43 -1.26 -4.90 118.68 118.81 1whb s LEU 124 Ca 0.01 1.52 0.10 0.00 -1.03 0.00 0.00 54.13 54.72 1whb s LEU 124 Cb -0.04 -4.09 0.09 0.00 0.03 0.00 0.00 46.19 42.18 1whb s LEU 124 CO -0.00 -2.22 1.45 0.08 0.23 0.00 0.00 176.35 175.89 1whb h ARG 125 N -1.26 0.00 0.00 1.70 0.11 -1.84 -3.47 114.38 109.63 1whb h ARG 125 Ca -0.47 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.07 1whb h ARG 125 Cb 1.26 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.22 1whb h ARG 125 CO 0.55 0.77 -0.46 0.09 0.10 0.00 0.00 179.97 181.02 1whb n ASN 126 N -3.53 1.04 -4.74 0.08 3.02 -1.26 -5.10 115.26 104.77 1whb n ASN 126 Ca -0.00 -3.16 -0.39 0.00 -0.03 0.00 0.00 54.58 51.00 1whb n ASN 126 Cb 0.77 1.09 -0.05 0.00 -0.61 0.00 0.00 39.78 40.97 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 -3.53 4.36 -0.04 3.52 8.01 -1.26 -4.91 118.70 124.85 1whb s GLU 127 Ca 0.22 0.70 -0.34 0.00 0.01 0.00 0.00 54.97 55.57 1whb s GLU 127 Cb 0.01 -3.40 -0.12 0.00 -4.31 0.00 0.00 34.13 26.31 1whb s GLU 127 CO 0.16 0.22 1.85 -0.35 0.01 0.00 0.00 175.26 177.14 1whb n PRO 128 N 3.31 2.24 -2.97 0.39 -0.04 -1.26 -4.77 135.00 131.89 1whb n PRO 128 Ca -0.05 0.82 -0.19 0.00 -0.04 0.00 0.00 63.50 64.04 1whb n PRO 128 Cb 0.51 -2.66 0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1whb n PRO 128 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1whb s LEU 129 N 3.65 3.60 -0.04 1.53 1.02 -0.83 -4.91 118.68 122.69 1whb s LEU 129 Ca 0.90 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 54.88 1whb s LEU 129 Cb -0.67 -2.76 -0.01 0.00 0.02 0.00 0.00 46.19 42.77 1whb s LEU 129 CO 0.49 -0.82 -0.22 0.54 0.02 0.00 0.00 176.35 176.36 1whb s VAL 130 N -2.45 1.78 0.54 -1.59 0.11 -1.26 -0.02 120.40 117.52 1whb s VAL 130 Ca 0.54 -0.93 -0.22 0.00 -2.93 0.00 0.00 61.98 58.44 1whb s VAL 130 Cb -0.10 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 1whb s VAL 130 CO 0.34 0.50 1.30 -0.11 -3.33 0.00 0.00 175.10 173.81 1whb n LEU 131 N 2.88 5.17 -4.55 2.54 7.94 -0.88 -3.02 117.00 127.09 1whb n LEU 131 Ca -0.17 0.97 -0.40 0.00 -1.11 0.00 0.00 56.01 55.30 1whb n LEU 131 Cb 0.52 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.90 1whb n LEU 131 CO 0.25 -0.76 1.43 -0.70 -1.11 0.00 0.00 177.39 176.50 1whb s GLU 132 N -2.82 2.88 0.00 1.96 -6.30 -1.15 -3.07 118.70 110.21 1whb s GLU 132 Ca 0.71 0.30 0.00 0.00 -2.50 0.00 0.00 54.97 53.49 1whb s GLU 132 Cb -0.43 -4.29 0.00 0.00 0.00 0.00 0.00 34.13 29.41 1whb s GLU 132 CO 0.49 -2.46 0.00 0.41 0.02 0.00 0.00 175.26 173.72 1whb n GLY 133 N 5.55 3.03 1.81 -1.50 0.00 -1.25 -4.73 105.19 108.11 1whb n GLY 133 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.26 -1.81 0.30 -0.02 0.00 -1.17 -4.14 105.19 98.08 1whb n GLY 134 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 0.82 -0.24 1.61 5.03 0.54 -1.37 116.97 123.35 1whb h TYR 135 Ca 0.00 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.29 1whb h TYR 135 Cb 0.00 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 1whb h TYR 135 CO 0.00 0.67 0.16 1.49 -1.32 0.00 0.00 178.16 179.17 1whb h GLU 136 N 0.78 0.12 0.01 1.82 4.57 -1.74 -1.61 114.58 118.54 1whb h GLU 136 Ca 0.18 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 58.07 1whb h GLU 136 Cb 0.25 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1whb h GLU 136 CO -0.01 0.08 -1.58 -0.97 -1.18 0.00 0.00 179.01 175.35 1whb h ASN 137 N 0.12 0.05 0.07 1.04 -1.24 -1.57 -3.34 115.58 110.71 1whb h ASN 137 Ca 0.11 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 1whb h ASN 137 Cb 0.27 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1whb h ASN 137 CO -0.01 1.08 -0.12 -0.25 -1.29 0.00 0.00 177.43 176.84 1whb h TRP 138 N 0.01 0.13 -0.24 0.67 2.91 -0.34 -1.25 115.95 117.83 1whb h TRP 138 Ca -0.24 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.70 1whb h TRP 138 Cb 1.97 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 30.58 1whb h TRP 138 CO 0.01 0.24 -0.12 -0.07 -1.03 0.00 0.00 178.44 177.47 1whb h LEU 139 N 0.12 0.52 -0.99 0.65 3.38 -1.51 0.67 115.31 118.14 1whb h LEU 139 Ca 0.03 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1whb h LEU 139 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1whb h LEU 139 CO 0.02 0.81 -0.46 -0.07 0.09 0.00 0.00 178.44 178.83 1whb h LEU 140 N 0.22 0.11 0.00 1.67 3.38 -1.61 -1.76 115.31 117.32 1whb h LEU 140 Ca 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1whb h LEU 140 Cb 0.62 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1whb h LEU 140 CO 0.04 0.55 -0.19 0.00 0.09 0.00 0.00 178.44 178.93 1whb n TYR 142 N -4.67 1.45 0.27 0.00 4.01 0.23 -4.93 117.16 113.52 1whb n TYR 142 Ca -0.07 -3.87 0.16 0.00 -0.16 0.00 0.00 57.90 53.96 1whb n TYR 142 Cb 0.24 -0.25 0.63 0.00 -0.31 0.00 0.00 39.34 39.65 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 5.39 0.00 -1.06 -0.72 0.13 -1.41 -3.03 132.00 131.29 1whb h PRO 143 Ca 0.20 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.80 1whb h PRO 143 Cb 0.82 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.68 1whb h PRO 143 CO 0.57 0.03 0.67 0.00 -0.23 0.00 0.00 178.00 179.05 1whb n GLN 144 N -3.14 2.29 -1.42 0.86 10.64 -1.26 -4.13 117.38 121.22 1whb n GLN 144 Ca 0.01 -2.76 0.04 0.00 -1.83 0.00 0.00 57.00 52.46 1whb n GLN 144 Cb 0.33 -2.08 0.02 0.00 -0.86 0.00 0.00 30.24 27.65 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 -0.78 0.00 -3.99 2.61 4.19 -1.14 -5.09 117.16 112.95 1whb n TYR 145 Ca 0.54 -0.46 -0.08 0.00 3.31 0.00 0.00 57.90 61.21 1whb n TYR 145 Cb 1.09 -0.14 -0.09 0.00 0.49 0.00 0.00 39.34 40.70 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 0.00 0.17 0.24 2.97 -4.23 -1.26 -3.36 115.64 110.18 1whb s THR 146 Ca 0.31 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 1whb s THR 146 Cb 0.36 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 1whb s THR 146 CO -0.16 -0.78 1.58 0.71 -0.54 0.00 0.00 174.62 175.43 1whb h THR 147 N 2.93 1.37 -3.45 3.99 1.35 -1.67 -3.44 112.91 114.00 1whb h THR 147 Ca -0.34 -1.90 -0.45 0.00 -0.55 0.00 0.00 66.41 63.17 1whb h THR 147 Cb 1.17 1.94 -0.34 0.00 -1.73 0.00 0.00 68.15 69.20 1whb h THR 147 CO 0.61 0.56 -0.79 0.21 -0.25 0.00 0.00 175.52 175.86 1whb s ASN 148 N -6.89 1.25 -0.07 5.36 2.47 -1.26 -5.00 114.94 110.79 1whb s ASN 148 Ca -0.04 -0.19 0.02 0.00 0.42 0.00 0.00 52.86 53.06 1whb s ASN 148 Cb 0.12 -0.59 -0.06 0.00 -1.45 0.00 0.00 41.25 39.28 1whb s ASN 148 CO 0.80 -0.02 -0.05 0.00 -3.72 0.00 0.00 177.10 174.11 1whb n ALA 149 N 3.94 1.84 -1.54 1.71 0.00 -1.26 -4.72 120.51 120.48 1whb n ALA 149 Ca -0.24 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.53 1whb n ALA 149 Cb 0.51 0.28 -0.08 0.00 0.00 0.00 0.00 19.45 20.16 1whb n ALA 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1whb n LYS 150 N -2.60 1.15 -3.71 0.00 4.81 -1.26 -4.80 118.16 111.75 1whb n LYS 150 Ca -0.12 -2.00 -0.14 0.00 -0.87 0.00 0.00 58.31 55.17 1whb n LYS 150 Cb 0.65 -3.39 -0.08 0.00 0.02 0.00 0.00 35.03 32.24 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1whb s VAL 151 N 9.84 0.04 -0.07 3.15 -7.23 -1.26 -5.06 120.40 119.81 1whb s VAL 151 Ca 0.67 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1whb s VAL 151 Cb 0.05 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 1whb s VAL 151 CO 0.17 -0.20 -0.06 -1.54 -0.31 0.00 0.00 175.10 173.16 1whb n SER 152 N 1.27 3.45 0.00 4.85 3.41 -1.26 -5.10 113.62 120.24 1whb n SER 152 Ca -0.21 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1whb n SER 152 Cb 0.56 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 153 N 3.13 -1.64 3.63 5.00 0.00 -1.26 -5.07 105.19 108.97 1whb n GLY 153 Ca -0.13 0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.99 1whb n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whb n PRO 154 N 0.00 1.67 -3.35 1.61 -0.02 -1.26 -4.93 135.00 128.72 1whb n PRO 154 Ca 0.00 0.59 -0.46 0.00 -2.02 0.00 0.00 63.50 61.61 1whb n PRO 154 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1whb n PRO 154 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1whb s SER 155 N 0.05 6.57 0.53 2.55 0.01 -1.26 -4.98 113.70 117.18 1whb s SER 155 Ca 0.68 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 55.43 1whb s SER 155 Cb -0.72 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1whb s SER 155 CO 0.52 -0.62 0.00 -1.20 0.41 0.00 0.00 173.24 172.35 1whb n SER 156 N 4.21 -8.58 0.00 2.44 7.64 -1.26 -5.08 113.62 113.00 1whb n SER 156 Ca 0.08 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1whb n SER 156 Cb 0.45 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.85 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64