#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 5.83 -0.17 1.61 0.15 -1.26 -5.02 113.70 114.84 1whb s SER 2 Ca 0.00 -2.11 -0.06 0.00 0.70 0.00 0.00 55.95 54.49 1whb s SER 2 Cb 0.00 -2.04 0.08 0.00 -1.71 0.00 0.00 66.02 62.35 1whb s SER 2 CO 0.00 -0.66 0.35 -0.55 1.20 0.00 0.00 173.24 173.58 1whb s SER 3 N 2.48 0.08 0.00 5.45 0.15 -1.26 -5.04 113.70 115.56 1whb s SER 3 Ca 0.08 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1whb s SER 3 Cb -0.24 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1whb s SER 3 CO -0.02 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1whb n GLY 4 N 5.37 1.37 5.00 9.45 0.00 -1.26 -5.03 105.19 120.10 1whb n GLY 4 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -3.15 1.61 7.64 -1.26 -4.28 113.62 114.18 1whb n SER 5 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1whb n SER 5 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1whb n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whb s SER 6 N -0.01 -0.86 0.00 6.43 1.04 -1.26 -5.15 113.70 113.89 1whb s SER 6 Ca 0.00 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1whb s SER 6 Cb 0.00 1.67 0.00 0.00 0.10 0.00 0.00 66.02 67.79 1whb s SER 6 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1whb n GLY 7 N 5.41 4.10 1.41 7.32 0.00 -1.26 -5.11 105.19 117.07 1whb n GLY 7 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1whb n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whb n LYS 8 N 0.00 0.00 -3.09 1.61 4.01 -1.26 -4.96 118.16 114.47 1whb n LYS 8 Ca 0.00 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.35 1whb n LYS 8 Cb 0.00 -0.25 -0.01 0.00 -0.51 0.00 0.00 35.03 34.26 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1whb s GLU 10 N 1.09 1.33 0.25 0.00 2.12 -1.26 -5.08 118.70 117.15 1whb s GLU 10 Ca 0.33 -1.69 0.07 0.00 0.36 0.00 0.00 54.97 54.04 1whb s GLU 10 Cb -0.06 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 33.89 1whb s GLU 10 CO -0.06 -0.19 0.20 0.95 -0.54 0.00 0.00 175.26 175.62 1whb s THR 11 N -3.60 4.47 -0.54 -1.70 -4.23 -1.26 -5.02 115.64 103.76 1whb s THR 11 Ca 0.32 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1whb s THR 11 Cb 0.07 -3.42 0.51 0.00 1.34 0.00 0.00 72.50 71.00 1whb s THR 11 CO 0.10 -0.35 1.96 1.17 -0.54 0.00 0.00 174.62 176.96 1whb n LYS 12 N -1.19 2.40 -4.11 3.99 4.81 -1.26 -4.93 118.16 117.86 1whb n LYS 12 Ca -0.08 -2.95 -0.15 0.00 -0.87 0.00 0.00 58.31 54.26 1whb n LYS 12 Cb 0.58 -2.16 -0.05 0.00 0.02 0.00 0.00 35.03 33.42 1whb n LYS 12 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1whb s GLU 13 N -3.35 1.84 -0.19 1.64 2.56 -1.26 -5.10 118.70 114.84 1whb s GLU 13 Ca 0.57 -1.76 -0.16 0.00 0.00 0.00 0.00 54.97 53.63 1whb s GLU 13 Cb 0.46 0.42 -0.11 0.00 2.00 0.00 0.00 34.13 36.91 1whb s GLU 13 CO 0.04 -0.75 -0.10 1.63 -0.56 0.00 0.00 175.26 175.52 1whb n LYS 14 N -0.55 0.53 -2.69 4.30 4.76 -1.26 -4.85 118.16 118.40 1whb n LYS 14 Ca 0.02 0.45 -0.08 0.00 -2.87 0.00 0.00 58.31 55.83 1whb n LYS 14 Cb 0.62 -1.64 0.08 0.00 -1.84 0.00 0.00 35.03 32.26 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whb n GLY 15 N 1.46 1.42 2.83 0.72 0.00 -1.26 -5.11 105.19 105.26 1whb n GLY 15 Ca -0.25 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.14 -0.03 0.19 4.61 0.00 -1.26 -4.08 121.76 120.06 1whb s ALA 16 Ca 0.24 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1whb s ALA 16 Cb 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1whb s ALA 16 CO -0.04 -0.11 0.34 -1.50 0.00 0.00 0.00 175.76 174.45 1whb s ILE 17 N 0.96 5.27 0.46 0.00 2.07 -1.09 -4.81 121.20 124.06 1whb s ILE 17 Ca -0.08 -0.69 0.08 0.00 -1.41 0.00 0.00 60.65 58.55 1whb s ILE 17 Cb -0.11 -3.78 0.02 0.00 0.13 0.00 0.00 42.46 38.72 1whb s ILE 17 CO -0.03 -0.20 0.55 0.42 -1.91 0.00 0.00 174.94 173.77 1whb s THR 18 N -1.86 2.61 0.15 4.00 -4.23 -1.26 -2.39 115.64 112.66 1whb s THR 18 Ca 0.35 -1.13 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1whb s THR 18 Cb -0.10 -2.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.87 1whb s THR 18 CO 0.29 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.77 1whb h ALA 19 N 0.65 0.51 -0.17 3.99 0.00 -1.97 -2.78 119.26 119.49 1whb h ALA 19 Ca -0.38 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 53.91 1whb h ALA 19 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1whb h ALA 19 CO 0.48 0.74 0.05 -0.22 0.00 0.00 0.00 179.25 180.31 1whb h LYS 20 N 0.34 0.27 -0.44 0.00 3.11 -2.00 -2.78 116.57 115.07 1whb h LYS 20 Ca -0.04 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.71 1whb h LYS 20 Cb 1.35 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.52 1whb h LYS 20 CO 0.14 0.39 0.16 0.93 -2.81 0.00 0.00 179.45 178.26 1whb h GLU 21 N 0.10 0.63 -0.92 1.90 3.07 -1.97 -2.11 114.58 115.28 1whb h GLU 21 Ca 0.06 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1whb h GLU 21 Cb 0.24 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 1whb h GLU 21 CO -0.00 0.54 0.59 1.25 -1.40 0.00 0.00 179.01 179.98 1whb h LEU 22 N 0.63 1.07 -0.50 1.33 5.85 -1.25 -1.03 115.31 121.41 1whb h LEU 22 Ca 0.15 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1whb h LEU 22 Cb 0.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1whb h LEU 22 CO -0.01 0.79 -0.74 0.22 -0.34 0.00 0.00 178.44 178.36 1whb h TYR 23 N 1.25 0.14 -0.09 1.25 5.03 -1.17 0.18 116.97 123.57 1whb h TYR 23 Ca 0.33 -0.07 -0.12 0.00 2.58 0.00 0.00 58.73 61.45 1whb h TYR 23 Cb -0.11 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1whb h TYR 23 CO 0.00 0.80 -0.50 1.15 -1.32 0.00 0.00 178.16 178.29 1whb h THR 24 N 0.07 1.35 0.07 1.81 2.02 -0.74 -2.70 112.91 114.78 1whb h THR 24 Ca -0.02 -1.74 -0.34 0.00 0.77 0.00 0.00 66.41 65.08 1whb h THR 24 Cb 1.31 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.53 1whb h THR 24 CO 0.11 0.52 -1.90 0.23 0.37 0.00 0.00 175.52 174.84 1whb n MET 25 N -3.95 0.71 0.06 6.66 2.81 -0.46 -3.33 117.12 119.62 1whb n MET 25 Ca -0.02 0.27 0.05 0.00 -1.81 0.00 0.00 57.70 56.19 1whb n MET 25 Cb 0.54 -1.74 0.47 0.00 -0.71 0.00 0.00 33.22 31.79 1whb n MET 25 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1whb h MET 26 N 0.04 0.41 0.04 0.03 2.07 -0.66 -2.04 114.93 114.83 1whb h MET 26 Ca -0.38 -0.03 -0.25 0.00 -2.07 0.00 0.00 59.70 56.98 1whb h MET 26 Cb 2.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 31.64 1whb h MET 26 CO 0.08 0.28 -1.22 1.79 1.07 0.00 0.00 176.91 178.91 1whb h THR 27 N 0.42 1.48 -2.71 2.22 1.35 -1.63 -3.44 112.91 110.61 1whb h THR 27 Ca 0.11 -3.17 -0.57 0.00 -0.55 0.00 0.00 66.41 62.23 1whb h THR 27 Cb -0.04 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 1whb h THR 27 CO -0.02 0.88 1.21 -0.62 -0.25 0.00 0.00 175.52 176.71 1whb s ASP 28 N -6.76 6.12 0.27 5.36 2.15 -0.77 -4.86 116.67 118.17 1whb s ASP 28 Ca -0.02 1.47 0.07 0.00 0.43 0.00 0.00 52.55 54.50 1whb s ASP 28 Cb 0.09 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.52 1whb s ASP 28 CO 0.84 -1.50 1.61 0.07 -0.17 0.00 0.00 175.17 176.02 1whb h LYS 29 N 11.87 0.13 0.94 4.34 2.10 -1.86 -3.29 116.57 130.81 1whb h LYS 29 Ca -0.34 -0.09 -0.05 0.00 -2.00 0.00 0.00 60.65 58.18 1whb h LYS 29 Cb 1.16 0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1whb h LYS 29 CO 1.02 0.67 -0.45 -0.91 -2.00 0.00 0.00 179.45 177.78 1whb h ASN 30 N 0.10 -1.07 -3.72 7.07 2.35 -1.93 -3.39 115.58 115.00 1whb h ASN 30 Ca -0.00 0.04 -0.56 0.00 -0.55 0.00 0.00 56.30 55.22 1whb h ASN 30 Cb 1.04 0.28 -0.07 0.00 0.05 0.00 0.00 38.32 39.62 1whb h ASN 30 CO 0.08 -0.76 0.93 -0.63 -1.65 0.00 0.00 177.43 175.40 1whb s ILE 31 N -5.74 4.20 0.55 2.81 1.01 -1.24 -5.01 121.20 117.78 1whb s ILE 31 Ca -0.18 1.22 -0.17 0.00 0.00 0.00 0.00 60.65 61.52 1whb s ILE 31 Cb 0.02 -4.61 -0.05 0.00 0.01 0.00 0.00 42.46 37.82 1whb s ILE 31 CO 0.55 -1.02 1.04 -0.44 0.00 0.00 0.00 174.94 175.07 1whb s SER 32 N 2.47 6.06 -0.21 3.58 0.01 -1.26 -4.78 113.70 119.56 1whb s SER 32 Ca 0.48 1.80 -0.22 0.00 1.31 0.00 0.00 55.95 59.32 1whb s SER 32 Cb -0.07 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.68 1whb s SER 32 CO 0.32 -0.98 0.61 -0.22 0.41 0.00 0.00 173.24 173.39 1whb s LEU 33 N -4.18 -0.35 -0.12 2.44 2.96 -1.26 -2.90 118.68 115.27 1whb s LEU 33 Ca 0.64 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.73 1whb s LEU 33 Cb -0.15 2.13 0.02 0.00 0.50 0.00 0.00 46.19 48.69 1whb s LEU 33 CO 0.32 -0.25 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.33 1whb s ILE 34 N 0.17 1.43 0.08 6.68 1.01 -1.25 -5.04 121.20 124.29 1whb s ILE 34 Ca -0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1whb s ILE 34 Cb -0.04 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 1whb s ILE 34 CO 0.02 0.43 0.42 -0.63 0.00 0.00 0.00 174.94 175.18 1whb s ILE 35 N 1.16 5.06 -0.12 2.92 1.01 -1.26 -2.44 121.20 127.54 1whb s ILE 35 Ca -0.03 0.52 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 1whb s ILE 35 Cb -0.14 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.70 1whb s ILE 35 CO -0.04 0.30 -0.04 -0.04 0.00 0.00 0.00 174.94 175.12 1whb s MET 36 N -1.88 1.13 -0.53 2.79 -1.94 -0.58 0.10 119.30 118.39 1whb s MET 36 Ca 0.33 -0.21 -0.20 0.00 -1.71 0.00 0.00 55.69 53.90 1whb s MET 36 Cb -0.14 -1.53 0.06 0.00 2.01 0.00 0.00 34.83 35.23 1whb s MET 36 CO 0.18 -0.35 0.70 -0.51 -0.01 0.00 0.00 175.02 175.03 1whb s ASP 37 N 1.79 6.23 -0.86 3.03 1.11 -1.00 -1.00 116.67 125.97 1whb s ASP 37 Ca 0.03 -0.90 -0.14 0.00 0.18 0.00 0.00 52.55 51.73 1whb s ASP 37 Cb -0.13 -2.32 0.22 0.00 1.07 0.00 0.00 42.92 41.76 1whb s ASP 37 CO -0.07 -1.00 0.81 0.00 1.18 0.00 0.00 175.17 176.09 1whb s ALA 38 N 2.91 4.13 0.04 5.23 0.00 -1.24 -3.27 121.76 129.57 1whb s ALA 38 Ca 0.17 -3.36 0.00 0.00 0.00 0.00 0.00 51.96 48.77 1whb s ALA 38 Cb -0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1whb s ALA 38 CO 0.12 -2.29 0.00 0.54 0.00 0.00 0.00 175.76 174.13 1whb n ARG 39 N 3.91 0.00 -3.01 0.00 1.74 -1.26 -4.71 116.66 113.34 1whb n ARG 39 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1whb n ARG 39 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1whb n ARG 39 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1whb n ARG 40 N -2.63 -1.15 -0.09 5.56 0.63 -1.26 -4.21 116.66 113.50 1whb n ARG 40 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1whb n ARG 40 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 1whb n ARG 40 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1whb n MET 41 N -0.00 0.94 0.09 -0.14 1.56 -1.26 -4.16 117.12 114.14 1whb n MET 41 Ca 0.00 -0.01 -0.14 0.00 -0.27 0.00 0.00 57.70 57.28 1whb n MET 41 Cb 0.00 -1.48 -0.14 0.00 2.15 0.00 0.00 33.22 33.75 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 0.00 0.20 -0.46 2.12 1.08 -2.00 -3.29 115.11 112.75 1whb h GLN 42 Ca -0.50 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.32 1whb h GLN 42 Cb 2.14 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 29.68 1whb h GLN 42 CO 0.03 1.14 0.15 -0.44 -0.95 0.00 0.00 178.83 178.76 1whb h ASP 43 N 0.06 0.67 -0.66 1.46 5.19 -1.92 -2.29 116.42 118.93 1whb h ASP 43 Ca -0.12 -0.20 0.08 0.00 -0.62 0.00 0.00 57.03 56.16 1whb h ASP 43 Cb 1.93 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 41.21 1whb h ASP 43 CO 0.18 0.70 0.34 0.22 -3.12 0.00 0.00 179.24 177.55 1whb h TYR 44 N 0.61 0.61 -0.03 4.55 3.20 -1.69 0.37 116.97 124.59 1whb h TYR 44 Ca 0.15 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1whb h TYR 44 Cb 0.26 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1whb h TYR 44 CO 0.01 0.25 -0.33 1.96 -1.64 0.00 0.00 178.16 178.41 1whb h GLN 45 N 0.60 0.05 0.03 1.82 4.20 -1.59 -3.09 115.11 117.14 1whb h GLN 45 Ca 0.31 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.87 1whb h GLN 45 Cb 0.28 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1whb h GLN 45 CO -0.23 0.38 -0.53 -0.44 -0.67 0.00 0.00 178.83 177.35 1whb h ASP 46 N 0.05 0.40 -3.80 1.46 5.19 -0.56 -3.47 116.42 115.69 1whb h ASP 46 Ca 0.00 -0.83 -0.09 0.00 -0.62 0.00 0.00 57.03 55.50 1whb h ASP 46 Cb 0.61 -0.13 -0.23 0.00 0.18 0.00 0.00 39.33 39.76 1whb h ASP 46 CO 0.04 1.18 -0.12 -0.94 -3.12 0.00 0.00 179.24 176.29 1whb s SER 47 N -6.66 -0.56 -0.08 6.45 1.04 0.12 -4.74 113.70 109.26 1whb s SER 47 Ca -0.14 1.06 -0.30 0.00 0.48 0.00 0.00 55.95 57.05 1whb s SER 47 Cb 0.02 1.05 0.11 0.00 0.10 0.00 0.00 66.02 67.30 1whb s SER 47 CO 0.80 -0.19 0.94 0.00 0.98 0.00 0.00 173.24 175.77 1whb s ILE 49 N -2.13 4.54 0.46 0.00 1.01 -1.26 -2.13 121.20 121.69 1whb s ILE 49 Ca 0.01 1.15 -0.20 0.00 0.00 0.00 0.00 60.65 61.61 1whb s ILE 49 Cb -0.01 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 1whb s ILE 49 CO -0.03 -0.76 0.99 -0.76 0.00 0.00 0.00 174.94 174.37 1whb s LEU 50 N -4.28 3.87 -1.68 2.97 1.43 -1.17 -3.61 118.68 116.20 1whb s LEU 50 Ca 0.58 1.77 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 1whb s LEU 50 Cb -0.10 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.58 1whb s LEU 50 CO 0.35 -0.55 0.26 1.41 0.23 0.00 0.00 176.35 178.06 1whb n HIS 51 N -0.87 -1.41 -4.53 0.29 8.25 -1.26 -4.99 115.22 110.70 1whb n HIS 51 Ca 0.08 0.22 -0.25 0.00 -0.26 0.00 0.00 57.72 57.51 1whb n HIS 51 Cb 0.53 -4.20 -0.10 0.00 1.12 0.00 0.00 29.99 27.34 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 -2.34 3.62 0.32 0.41 1.04 -1.24 -4.45 113.70 111.07 1whb s SER 52 Ca 0.13 -1.20 0.07 0.00 0.48 0.00 0.00 55.95 55.43 1whb s SER 52 Cb -0.06 -0.33 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 1whb s SER 52 CO 0.16 -0.22 0.33 -0.22 0.98 0.00 0.00 173.24 174.27 1whb s LEU 53 N -3.59 3.73 0.26 2.42 2.96 0.29 -4.93 118.68 119.81 1whb s LEU 53 Ca 0.32 -0.38 0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1whb s LEU 53 Cb 0.03 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1whb s LEU 53 CO 0.16 -0.33 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.21 1whb s SER 54 N -4.02 4.12 -0.30 3.68 0.15 -1.26 -2.38 113.70 113.69 1whb s SER 54 Ca 0.41 -0.79 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 1whb s SER 54 Cb -0.07 -0.61 0.18 0.00 -1.71 0.00 0.00 66.02 63.81 1whb s SER 54 CO 0.28 0.03 0.94 0.54 1.20 0.00 0.00 173.24 176.22 1whb s VAL 55 N -2.31 -0.50 0.25 4.45 0.11 -1.20 -4.84 120.40 116.37 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 -0.06 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.69 1whb s VAL 55 CO 0.17 0.00 1.40 -2.16 -3.33 0.00 0.00 175.10 171.18 1whb s PRO 56 N 2.90 4.30 0.50 1.54 0.04 -1.26 -3.98 135.00 139.03 1whb s PRO 56 Ca 0.04 2.25 0.14 0.00 0.04 0.00 0.00 61.00 63.47 1whb s PRO 56 Cb -0.11 -3.12 1.19 0.00 0.04 0.00 0.00 34.50 32.50 1whb s PRO 56 CO -0.14 -0.36 2.13 1.49 0.04 0.00 0.00 177.00 180.16 1whb h GLU 57 N 4.88 0.10 -0.14 4.56 4.81 -1.82 -1.22 114.58 125.75 1whb h GLU 57 Ca -0.46 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1whb h GLU 57 Cb 1.22 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1whb h GLU 57 CO 0.76 0.07 0.10 1.49 -0.73 0.00 0.00 179.01 180.69 1whb h GLU 58 N 0.11 0.15 0.01 1.92 4.81 -1.90 -1.47 114.58 118.21 1whb h GLU 58 Ca 0.03 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.05 1whb h GLU 58 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1whb h GLU 58 CO -0.01 0.10 -0.91 0.00 -0.73 0.00 0.00 179.01 177.46 1whb h ALA 59 N 1.92 0.49 -2.13 2.92 0.00 -1.54 -3.42 119.26 117.49 1whb h ALA 59 Ca 0.06 -0.77 -0.62 0.00 0.00 0.00 0.00 54.91 53.58 1whb h ALA 59 Cb 0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 1whb h ALA 59 CO -0.01 0.98 0.36 0.42 0.00 0.00 0.00 179.25 181.00 1whb s ILE 60 N -3.08 4.71 0.23 0.00 1.01 -0.55 -4.52 121.20 118.99 1whb s ILE 60 Ca -0.02 0.71 0.08 0.00 0.00 0.00 0.00 60.65 61.42 1whb s ILE 60 Cb 0.10 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1whb s ILE 60 CO 0.82 -0.53 0.06 -0.44 0.00 0.00 0.00 174.94 174.85 1whb s SER 61 N 1.95 4.93 -0.84 3.58 0.01 -1.26 -4.90 113.70 117.16 1whb s SER 61 Ca 0.31 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 1whb s SER 61 Cb -0.13 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 1whb s SER 61 CO 0.19 0.02 1.93 -2.16 0.41 0.00 0.00 173.24 173.63 1whb s PRO 62 N -3.46 2.57 0.00 12.44 0.04 -1.26 -3.42 135.00 141.90 1whb s PRO 62 Ca 0.31 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1whb s PRO 62 Cb -0.08 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1whb s PRO 62 CO 0.21 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.43 1whb n GLY 63 N 6.59 0.71 3.62 0.56 0.00 -1.26 -5.10 105.19 110.32 1whb n GLY 63 Ca 0.36 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.17 0.75 0.35 1.61 -7.23 -1.22 -5.15 120.40 108.34 1whb s VAL 64 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1whb s VAL 64 Cb 0.00 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1whb s VAL 64 CO 0.00 0.00 0.07 0.28 -0.31 0.00 0.00 175.10 175.14 1whb s THR 65 N -3.07 2.64 0.53 5.32 -1.32 -1.26 -4.22 115.64 114.26 1whb s THR 65 Ca 0.15 -1.87 0.23 0.00 -1.21 0.00 0.00 61.69 58.99 1whb s THR 65 Cb 0.01 -2.88 0.36 0.00 -1.51 0.00 0.00 72.50 68.49 1whb s THR 65 CO 0.10 -0.16 2.04 0.00 -2.21 0.00 0.00 174.62 174.39 1whb h ALA 66 N 1.69 2.36 -0.12 11.08 0.00 -1.35 0.37 119.26 133.29 1whb h ALA 66 Ca -0.43 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1whb h ALA 66 Cb 1.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1whb h ALA 66 CO 0.67 -0.47 -0.28 1.03 0.00 0.00 0.00 179.25 180.19 1whb h SER 67 N 0.00 0.21 0.48 0.00 0.87 -1.91 -1.72 113.55 111.47 1whb h SER 67 Ca 0.18 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1whb h SER 67 Cb 0.73 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1whb h SER 67 CO -0.00 0.50 -0.23 -0.25 -0.53 0.00 0.00 176.83 176.32 1whb h TRP 68 N 0.19 -0.59 -0.46 2.24 2.91 -1.30 -2.21 115.95 116.73 1whb h TRP 68 Ca 0.03 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.99 1whb h TRP 68 Cb 0.61 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 1whb h TRP 68 CO 0.01 -0.31 0.08 0.82 -1.03 0.00 0.00 178.44 178.01 1whb h ILE 69 N -0.76 1.21 -0.42 2.65 2.04 -1.53 -2.33 117.51 118.36 1whb h ILE 69 Ca -0.07 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1whb h ILE 69 Cb 0.55 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1whb h ILE 69 CO 0.11 0.28 0.28 -0.08 0.00 0.00 0.00 178.15 178.74 1whb h GLU 70 N 0.67 0.53 -0.00 2.37 4.81 -1.18 -1.59 114.58 120.19 1whb h GLU 70 Ca 0.15 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 1whb h GLU 70 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1whb h GLU 70 CO 0.00 0.35 -0.78 0.00 -0.73 0.00 0.00 179.01 177.85 1whb h ALA 71 N 1.74 0.70 -3.03 2.92 0.00 -0.85 -3.38 119.26 117.37 1whb h ALA 71 Ca 0.16 -0.70 -0.71 0.00 0.00 0.00 0.00 54.91 53.67 1whb h ALA 71 Cb -0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 17.79 17.30 1whb h ALA 71 CO -0.04 0.94 -0.23 -1.01 0.00 0.00 0.00 179.25 178.92 1whb s HIS 72 N -3.27 3.61 0.15 0.00 3.76 -0.60 -5.03 115.29 113.91 1whb s HIS 72 Ca -0.01 -2.80 -0.18 0.00 -0.15 0.00 0.00 55.06 51.92 1whb s HIS 72 Cb 0.11 -3.25 0.04 0.00 1.11 0.00 0.00 32.58 30.59 1whb s HIS 72 CO 0.79 -0.81 0.47 -0.51 -0.85 0.00 0.00 174.74 173.84 1whb s LEU 73 N -0.58 0.12 0.00 0.89 1.43 -1.24 -4.72 118.68 114.59 1whb s LEU 73 Ca 0.21 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1whb s LEU 73 Cb -0.14 2.07 0.00 0.00 0.03 0.00 0.00 46.19 48.15 1whb s LEU 73 CO -0.07 -0.93 0.00 -2.65 0.23 0.00 0.00 176.35 172.93 1whb n PRO 74 N -0.29 -0.37 -0.10 1.29 -0.02 -1.26 -4.80 135.00 129.46 1whb n PRO 74 Ca -0.15 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.12 1whb n PRO 74 Cb 0.64 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 34.01 1whb n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1whb n ASP 75 N -1.67 1.86 0.06 2.55 9.92 -1.26 -3.65 116.55 124.36 1whb n ASP 75 Ca 0.00 0.43 -0.13 0.00 -0.53 0.00 0.00 54.79 54.56 1whb n ASP 75 Cb 0.00 -0.96 -0.14 0.00 -0.64 0.00 0.00 41.12 39.39 1whb n ASP 75 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1whb h ASP 76 N -1.00 0.25 0.25 -2.24 1.82 -2.02 -3.30 116.42 110.17 1whb h ASP 76 Ca -0.34 -0.31 -0.07 0.00 -0.39 0.00 0.00 57.03 55.93 1whb h ASP 76 Cb 1.26 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1whb h ASP 76 CO -0.20 1.25 -0.29 0.28 -1.61 0.00 0.00 179.24 178.66 1whb h SER 77 N 0.04 0.07 -0.14 2.28 0.02 -1.94 -2.54 113.55 111.35 1whb h SER 77 Ca -0.16 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1whb h SER 77 Cb 1.94 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 1whb h SER 77 CO 0.15 0.37 -0.01 0.50 -1.14 0.00 0.00 176.83 176.70 1whb h LYS 78 N 0.07 0.38 0.88 3.45 3.64 -1.64 -1.91 116.57 121.44 1whb h LYS 78 Ca 0.01 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1whb h LYS 78 Cb 0.55 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1whb h LYS 78 CO 0.04 0.42 -0.42 0.22 -2.27 0.00 0.00 179.45 177.44 1whb h ASP 79 N 0.37 -1.00 0.01 4.20 3.58 -1.58 -2.78 116.42 119.21 1whb h ASP 79 Ca 0.08 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1whb h ASP 79 Cb 0.27 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1whb h ASP 79 CO 0.01 -0.69 -0.00 0.74 -2.88 0.00 0.00 179.24 176.42 1whb h THR 80 N -1.24 0.85 -0.29 2.25 2.02 -1.59 -1.43 112.91 113.47 1whb h THR 80 Ca -0.12 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1whb h THR 80 Cb 0.91 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1whb h THR 80 CO 0.20 0.00 0.21 -0.25 0.37 0.00 0.00 175.52 176.06 1whb h TRP 81 N 0.00 0.00 0.00 3.16 2.91 -1.06 0.22 115.95 121.18 1whb h TRP 81 Ca -0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1whb h TRP 81 Cb 0.01 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1whb h TRP 81 CO 0.00 0.00 -0.14 1.63 -1.03 0.00 0.00 178.44 178.90 1whb n LYS 82 N -4.45 0.17 -0.16 2.65 5.02 -0.54 -3.32 118.16 117.53 1whb n LYS 82 Ca 0.04 0.11 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 1whb n LYS 82 Cb 0.38 -1.67 0.14 0.00 -0.02 0.00 0.00 35.03 33.85 1whb n LYS 82 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1whb n LYS 83 N -1.95 1.74 0.11 1.97 5.02 0.75 -3.99 118.16 121.82 1whb n LYS 83 Ca 0.06 -1.15 -0.03 0.00 -2.02 0.00 0.00 58.31 55.17 1whb n LYS 83 Cb 0.40 -1.25 0.18 0.00 -0.02 0.00 0.00 35.03 34.34 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 1.87 0.15 -0.18 1.97 -0.00 -1.59 -2.72 114.38 113.88 1whb h ARG 84 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 1whb h ARG 84 Cb 0.43 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1whb h ARG 84 CO 0.00 0.65 0.00 0.41 -0.00 0.00 0.00 179.97 181.03 1whb n GLY 85 N 0.08 -0.01 0.05 0.08 0.00 -1.26 -3.75 105.19 100.37 1whb n GLY 85 Ca -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 0.08 2.82 -3.46 1.61 2.85 -1.05 -4.80 115.26 113.32 1whb n ASN 86 Ca 0.11 -0.02 -0.31 0.00 -0.11 0.00 0.00 54.58 54.26 1whb n ASN 86 Cb 0.22 0.51 0.27 0.00 1.24 0.00 0.00 39.78 42.02 1whb n ASN 86 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1whb s VAL 87 N -2.22 1.30 -0.40 3.44 -7.23 -1.09 -4.99 120.40 109.20 1whb s VAL 87 Ca -0.07 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.18 1whb s VAL 87 Cb 0.03 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1whb s VAL 87 CO 0.35 0.00 0.36 1.21 -0.31 0.00 0.00 175.10 176.71 1whb n GLU 88 N -5.33 4.20 -4.03 4.82 2.13 -1.19 -4.54 120.64 116.71 1whb n GLU 88 Ca 0.14 -0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.84 1whb n GLU 88 Cb 0.60 -0.90 -0.04 0.00 0.27 0.00 0.00 31.44 31.37 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 -1.78 0.65 -0.13 4.31 2.02 -1.14 -4.16 117.35 117.11 1whb s TYR 89 Ca 0.03 -0.98 -0.17 0.00 -0.37 0.00 0.00 57.07 55.58 1whb s TYR 89 Cb 0.06 0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.77 1whb s TYR 89 CO 0.34 -1.08 0.44 0.08 -1.57 0.00 0.00 175.55 173.77 1whb s VAL 90 N -3.51 0.01 0.01 0.71 1.01 -1.26 -3.86 120.40 113.51 1whb s VAL 90 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1whb s VAL 90 Cb -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1whb s VAL 90 CO 0.14 -0.05 0.00 -0.69 0.00 0.00 0.00 175.10 174.50 1whb s VAL 91 N -0.16 0.09 0.47 2.92 1.01 -1.02 -1.93 120.40 121.78 1whb s VAL 91 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1whb s VAL 91 Cb -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1whb s VAL 91 CO 0.02 -0.40 0.03 -0.76 0.00 0.00 0.00 175.10 173.99 1whb s LEU 92 N -1.21 2.58 0.31 3.92 1.43 0.28 -1.53 118.68 124.46 1whb s LEU 92 Ca -0.13 -1.50 0.04 0.00 -1.03 0.00 0.00 54.13 51.51 1whb s LEU 92 Cb -0.08 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1whb s LEU 92 CO -0.00 -0.70 0.30 -0.76 0.23 0.00 0.00 176.35 175.42 1whb s LEU 93 N -3.83 1.47 0.00 1.79 1.43 -0.17 -2.07 118.68 117.29 1whb s LEU 93 Ca 0.20 -1.62 -0.29 0.00 -1.03 0.00 0.00 54.13 51.39 1whb s LEU 93 Cb 0.05 0.74 0.09 0.00 0.03 0.00 0.00 46.19 47.10 1whb s LEU 93 CO 0.10 -1.08 1.30 -0.90 0.23 0.00 0.00 176.35 176.01 1whb n ASP 94 N -1.28 -1.14 -0.01 2.29 5.68 -1.26 -3.66 116.55 117.16 1whb n ASP 94 Ca 0.05 -1.19 -0.22 0.00 -0.50 0.00 0.00 54.79 52.94 1whb n ASP 94 Cb 0.63 1.76 -0.13 0.00 -1.14 0.00 0.00 41.12 42.23 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 -0.94 1.22 -2.76 2.11 5.03 -1.26 0.11 117.44 120.94 1whb n TRP 95 Ca 0.05 0.30 -0.04 0.00 3.03 0.00 0.00 57.50 60.84 1whb n TRP 95 Cb 0.58 -1.15 0.01 0.00 -1.03 0.00 0.00 31.31 29.71 1whb n TRP 95 CO 0.00 0.00 0.00 -0.06 -0.03 0.00 0.00 177.69 177.60 1whb s PHE 96 N -2.52 -1.47 0.08 -5.99 0.08 -1.25 -4.39 117.98 102.52 1whb s PHE 96 Ca -0.24 -0.49 -0.27 0.00 0.12 0.00 0.00 56.93 56.06 1whb s PHE 96 Cb 0.07 0.29 0.08 0.00 -0.57 0.00 0.00 43.02 42.89 1whb s PHE 96 CO 0.74 -1.16 0.90 -1.54 -0.10 0.00 0.00 175.22 174.06 1whb s SER 97 N 0.92 -0.29 0.37 1.36 1.04 -1.24 -5.10 113.70 110.75 1whb s SER 97 Ca 0.29 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 1whb s SER 97 Cb 0.01 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1whb s SER 97 CO -0.06 -0.78 0.54 -0.44 0.98 0.00 0.00 173.24 173.48 1whb s SER 98 N -2.71 0.93 0.34 7.02 0.01 -1.26 -3.82 113.70 114.21 1whb s SER 98 Ca 0.08 -1.51 0.07 0.00 1.31 0.00 0.00 55.95 55.91 1whb s SER 98 Cb -0.01 0.72 0.63 0.00 0.21 0.00 0.00 66.02 67.57 1whb s SER 98 CO -0.04 -1.41 1.83 0.00 0.41 0.00 0.00 173.24 174.03 1whb h ALA 99 N 2.05 1.34 0.00 1.44 0.00 -1.87 -2.53 119.26 119.69 1whb h ALA 99 Ca -0.29 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1whb h ALA 99 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1whb h ALA 99 CO 0.39 0.45 -0.96 1.57 0.00 0.00 0.00 179.25 180.70 1whb h LYS 100 N 0.26 0.00 -0.70 0.00 2.10 -1.96 -3.29 116.57 112.99 1whb h LYS 100 Ca 0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1whb h LYS 100 Cb 0.53 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1whb h LYS 100 CO 0.04 0.32 0.00 -0.25 -2.00 0.00 0.00 179.45 177.56 1whb n ASP 101 N -3.00 4.48 -4.57 7.07 9.92 -1.02 -4.84 116.55 124.59 1whb n ASP 101 Ca -0.03 -2.69 -0.26 0.00 -0.53 0.00 0.00 54.79 51.28 1whb n ASP 101 Cb 0.75 -0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.03 2.99 1.32 0.64 1.43 -0.98 -4.56 118.68 117.49 1whb s LEU 102 Ca 0.40 -1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 51.98 1whb s LEU 102 Cb 0.31 -2.58 0.34 0.00 0.03 0.00 0.00 46.19 44.28 1whb s LEU 102 CO 0.12 -3.22 0.96 -1.10 0.23 0.00 0.00 176.35 173.34 1whb s GLN 103 N 6.86 -2.12 -0.51 1.70 -0.21 -1.26 -4.90 119.66 119.22 1whb s GLN 103 Ca 0.71 0.54 -0.27 0.00 0.02 0.00 0.00 55.36 56.36 1whb s GLN 103 Cb -0.03 -1.44 0.03 0.00 1.00 0.00 0.00 33.01 32.58 1whb s GLN 103 CO 0.11 -4.45 1.08 0.42 -2.12 0.00 0.00 175.29 170.33 1whb s ILE 104 N -2.29 4.24 0.00 1.08 1.01 -1.26 -3.65 121.20 120.33 1whb s ILE 104 Ca 0.69 0.90 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1whb s ILE 104 Cb -0.21 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 37.67 1whb s ILE 104 CO 0.63 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 175.10 1whb n GLY 105 N 4.96 1.32 3.29 6.18 0.00 -1.26 -5.13 105.19 114.56 1whb n GLY 105 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.28 0.00 0.01 2.61 -2.24 -1.24 -4.99 114.28 108.15 1whb n THR 106 Ca 0.00 -1.66 -0.22 0.00 -2.27 0.00 0.00 64.05 59.91 1whb n THR 106 Cb 0.00 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.15 0.65 -0.33 4.28 2.02 -1.93 -3.31 112.91 114.44 1whb h THR 107 Ca -0.24 -2.35 -0.16 0.00 0.77 0.00 0.00 66.41 64.43 1whb h THR 107 Cb 1.06 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1whb h THR 107 CO 0.34 0.89 -0.45 -0.07 0.37 0.00 0.00 175.52 176.60 1whb h LEU 108 N 0.04 0.92 -1.34 2.58 3.38 -1.94 0.77 115.31 119.72 1whb h LEU 108 Ca -0.42 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.10 1whb h LEU 108 Cb 2.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 1whb h LEU 108 CO 0.09 1.23 0.33 -0.09 0.09 0.00 0.00 178.44 180.08 1whb h ARG 109 N 0.68 0.78 0.11 1.13 2.43 -1.89 0.32 114.38 117.94 1whb h ARG 109 Ca 0.04 -0.07 -0.36 0.00 -0.81 0.00 0.00 59.98 58.78 1whb h ARG 109 Cb 1.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1whb h ARG 109 CO 0.10 0.56 -2.02 -1.13 -1.51 0.00 0.00 179.97 175.98 1whb n SER 110 N -4.41 2.03 0.16 -3.80 3.41 -1.16 -3.85 113.62 106.00 1whb n SER 110 Ca 0.05 0.20 0.02 0.00 -0.26 0.00 0.00 58.87 58.88 1whb n SER 110 Cb 0.08 -0.77 0.38 0.00 -0.26 0.00 0.00 64.21 63.64 1whb n SER 110 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1whb h LEU 111 N 0.06 0.10 -0.97 1.04 5.85 0.68 0.12 115.31 122.19 1whb h LEU 111 Ca -0.43 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.16 1whb h LEU 111 Cb 2.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 43.01 1whb h LEU 111 CO 0.08 0.37 -0.51 0.50 -0.34 0.00 0.00 178.44 178.54 1whb h LYS 112 N 0.09 0.00 0.00 1.25 3.64 -0.51 -2.99 116.57 118.05 1whb h LYS 112 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1whb h LYS 112 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1whb h LYS 112 CO 0.04 0.51 -1.27 -0.25 -2.27 0.00 0.00 179.45 176.21 1whb n ASP 113 N -3.92 0.56 -1.42 4.20 8.00 -0.91 -3.88 116.55 119.18 1whb n ASP 113 Ca -0.01 0.12 0.04 0.00 0.71 0.00 0.00 54.79 55.65 1whb n ASP 113 Cb 0.53 0.94 0.27 0.00 -0.02 0.00 0.00 41.12 42.83 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 -2.12 3.43 0.00 2.24 0.00 0.38 0.08 120.51 124.52 1whb n ALA 114 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1whb n ALA 114 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1whb n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whb n LEU 115 N 0.40 0.23 -0.06 0.00 4.77 -1.19 -1.29 117.00 119.86 1whb n LEU 115 Ca 0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 1whb n LEU 115 Cb 0.88 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.93 1whb n LEU 115 CO 0.22 -0.12 -0.89 0.33 -1.33 0.00 0.00 177.39 175.59 1whb n PHE 116 N -2.74 0.00 -0.33 -1.77 -0.00 -1.25 -4.67 117.46 106.70 1whb n PHE 116 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1whb n PHE 116 Cb 0.32 -0.41 0.22 0.00 -0.00 0.00 0.00 39.48 39.61 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 -0.39 1.03 -4.84 -4.13 3.11 -1.71 -3.38 116.57 106.27 1whb h LYS 117 Ca -0.29 -0.06 -0.67 0.00 -2.81 0.00 0.00 60.65 56.81 1whb h LYS 117 Cb 1.26 -0.23 -0.27 0.00 -1.00 0.00 0.00 32.23 31.98 1whb h LYS 117 CO -0.17 0.68 -0.66 -1.58 -2.81 0.00 0.00 179.45 174.92 1whb s TRP 118 N -5.94 3.12 -0.02 1.91 0.23 0.11 -5.01 118.94 113.34 1whb s TRP 118 Ca -0.12 -1.10 -0.23 0.00 -2.03 0.00 0.00 56.10 52.62 1whb s TRP 118 Cb 0.20 -2.20 0.08 0.00 0.03 0.00 0.00 33.47 31.58 1whb s TRP 118 CO 0.80 -0.60 1.04 0.39 0.96 0.00 0.00 176.95 179.54 1whb n GLU 119 N 4.82 0.14 0.00 4.98 -0.58 -1.26 -4.15 120.64 124.59 1whb n GLU 119 Ca -0.15 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1whb n GLU 119 Cb 0.48 1.03 0.00 0.00 -0.57 0.00 0.00 31.44 32.38 1whb n GLU 119 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1whb n SER 120 N -0.90 0.00 0.11 1.62 7.64 -1.26 -4.97 113.62 115.86 1whb n SER 120 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 1whb n SER 120 Cb 0.47 0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.56 1whb n SER 120 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1whb h LYS 121 N 0.00 0.34 -5.46 1.43 2.10 -2.04 -3.46 116.57 109.48 1whb h LYS 121 Ca 0.00 -0.57 -0.45 0.00 -2.00 0.00 0.00 60.65 57.63 1whb h LYS 121 Cb 0.00 0.21 -0.14 0.00 -0.90 0.00 0.00 32.23 31.40 1whb h LYS 121 CO 0.00 1.27 -0.70 0.99 -2.00 0.00 0.00 179.45 179.00 1whb s THR 122 N -2.67 1.59 -0.05 0.07 2.01 -1.26 -5.16 115.64 110.17 1whb s THR 122 Ca -0.05 -2.15 -0.04 0.00 0.31 0.00 0.00 61.69 59.76 1whb s THR 122 Cb 0.06 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.39 1whb s THR 122 CO 0.90 -0.48 0.13 -0.69 -0.69 0.00 0.00 174.62 173.79 1whb s VAL 123 N -3.06 -0.02 0.64 3.82 1.01 -1.26 -4.85 120.40 116.68 1whb s VAL 123 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1whb s VAL 123 Cb 0.02 -0.19 0.13 0.00 0.00 0.00 0.00 36.38 36.33 1whb s VAL 123 CO 0.08 0.02 0.88 0.18 0.00 0.00 0.00 175.10 176.27 1whb n LEU 124 N 3.38 0.00 -0.07 3.92 4.77 -1.26 -4.63 117.00 123.11 1whb n LEU 124 Ca -0.17 -1.72 -0.06 0.00 -0.03 0.00 0.00 56.01 54.03 1whb n LEU 124 Cb 0.57 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1whb n LEU 124 CO 0.21 -0.96 -0.33 0.03 -1.33 0.00 0.00 177.39 175.01 1whb h ARG 125 N 0.00 0.00 -5.41 3.23 -0.00 -1.80 -3.50 114.38 106.90 1whb h ARG 125 Ca -0.29 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.68 1whb h ARG 125 Cb 1.03 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.87 1whb h ARG 125 CO 0.30 0.10 -0.64 -0.80 0.00 0.00 0.00 179.97 178.93 1whb s ASN 126 N -5.82 2.77 0.17 7.04 0.01 -1.26 -5.04 114.94 112.80 1whb s ASN 126 Ca -0.15 -1.30 -0.31 0.00 -0.71 0.00 0.00 52.86 50.40 1whb s ASN 126 Cb 0.02 -0.17 -0.09 0.00 0.41 0.00 0.00 41.25 41.43 1whb s ASN 126 CO 0.24 -0.47 1.38 -0.70 -1.51 0.00 0.00 177.10 176.03 1whb s GLU 127 N -3.79 4.33 -0.49 -0.60 2.12 -1.26 -4.67 118.70 114.34 1whb s GLU 127 Ca 0.33 2.12 -0.32 0.00 0.36 0.00 0.00 54.97 57.46 1whb s GLU 127 Cb 0.07 -3.20 -0.12 0.00 0.26 0.00 0.00 34.13 31.14 1whb s GLU 127 CO 0.14 -0.37 2.34 -2.30 -0.54 0.00 0.00 175.26 174.53 1whb n PRO 128 N 3.18 0.91 -2.31 4.30 -0.02 -1.26 -4.77 135.00 135.04 1whb n PRO 128 Ca 0.09 0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 1whb n PRO 128 Cb 0.42 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 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 8.85 3.52 -0.13 2.45 1.43 -0.81 -4.83 118.68 129.15 1whb s LEU 129 Ca 1.11 1.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1whb s LEU 129 Cb -0.74 -4.36 -0.01 0.00 0.03 0.00 0.00 46.19 41.11 1whb s LEU 129 CO 0.43 -0.66 -0.15 0.54 0.23 0.00 0.00 176.35 176.74 1whb s VAL 130 N -2.79 2.80 0.47 -1.59 0.11 -1.26 0.99 120.40 119.14 1whb s VAL 130 Ca 0.55 -0.74 -0.24 0.00 -2.93 0.00 0.00 61.98 58.62 1whb s VAL 130 Cb -0.10 -2.16 -0.08 0.00 -1.53 0.00 0.00 36.38 32.50 1whb s VAL 130 CO 0.40 0.53 1.36 -0.11 -3.33 0.00 0.00 175.10 173.95 1whb n LEU 131 N 3.66 4.90 -4.56 2.54 7.94 -0.88 -2.66 117.00 127.94 1whb n LEU 131 Ca -0.18 1.08 -0.39 0.00 -1.11 0.00 0.00 56.01 55.40 1whb n LEU 131 Cb 0.53 -1.57 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 1whb n LEU 131 CO 0.30 -0.42 1.70 -0.70 -1.11 0.00 0.00 177.39 177.15 1whb s GLU 132 N -2.50 2.64 0.00 1.96 -6.30 -1.00 -2.94 118.70 110.56 1whb s GLU 132 Ca 0.64 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 54.08 1whb s GLU 132 Cb -0.46 -4.40 0.00 0.00 0.00 0.00 0.00 34.13 29.27 1whb s GLU 132 CO 0.55 -2.70 0.00 0.41 0.02 0.00 0.00 175.26 173.55 1whb n GLY 133 N 5.72 3.05 0.00 -1.50 0.00 -1.25 -4.71 105.19 106.50 1whb n GLY 133 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.63 0.29 -0.02 0.00 -1.15 -3.71 105.19 99.98 1whb n GLY 134 Ca 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 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 0.93 -0.33 1.61 3.20 0.46 -0.05 116.97 122.79 1whb h TYR 135 Ca 0.00 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1whb h TYR 135 Cb 0.00 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 1whb h TYR 135 CO 0.00 0.56 0.23 1.49 -1.64 0.00 0.00 178.16 178.80 1whb h GLU 136 N 0.98 0.11 0.00 1.82 4.57 -1.76 -1.06 114.58 119.24 1whb h GLU 136 Ca 0.29 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.21 1whb h GLU 136 Cb -0.04 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1whb h GLU 136 CO -0.09 0.07 -1.41 -0.97 -1.18 0.00 0.00 179.01 175.44 1whb h ASN 137 N 0.12 0.00 -1.00 1.04 -0.73 -1.51 -3.32 115.58 110.17 1whb h ASN 137 Ca 0.15 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.34 1whb h ASN 137 Cb 0.45 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.99 1whb h ASN 137 CO -0.02 0.99 0.66 -0.25 -0.37 0.00 0.00 177.43 178.45 1whb h TRP 138 N 0.00 1.25 -0.61 0.67 2.91 0.28 -2.00 115.95 118.45 1whb h TRP 138 Ca -0.17 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.79 1whb h TRP 138 Cb 1.91 -0.42 -0.02 0.00 -0.51 0.00 0.00 29.16 30.11 1whb h TRP 138 CO 0.00 0.76 0.02 -0.07 -1.03 0.00 0.00 178.44 178.13 1whb h LEU 139 N 1.33 1.02 -1.60 0.65 3.38 -1.59 0.83 115.31 119.32 1whb h LEU 139 Ca 0.38 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1whb h LEU 139 Cb -0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1whb h LEU 139 CO -0.10 1.06 -0.21 -0.07 0.09 0.00 0.00 178.44 179.21 1whb h LEU 140 N 0.96 0.00 0.00 1.67 3.38 -1.50 -2.07 115.31 117.76 1whb h LEU 140 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1whb h LEU 140 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1whb h LEU 140 CO 0.03 0.21 -0.67 0.00 0.09 0.00 0.00 178.44 178.09 1whb n TYR 142 N -4.57 1.99 0.43 0.00 4.01 0.28 -4.92 117.16 114.39 1whb n TYR 142 Ca -0.10 -3.98 0.13 0.00 -0.16 0.00 0.00 57.90 53.79 1whb n TYR 142 Cb 0.35 -0.37 0.48 0.00 -0.31 0.00 0.00 39.34 39.49 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 5.17 0.00 -1.14 -0.72 0.13 -1.44 -3.15 132.00 130.85 1whb h PRO 143 Ca 0.18 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.78 1whb h PRO 143 Cb 0.79 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.68 1whb h PRO 143 CO 0.63 0.00 0.69 0.00 -0.23 0.00 0.00 178.00 179.08 1whb n GLN 144 N -2.35 2.31 -1.74 0.86 10.64 -1.26 -4.12 117.38 121.73 1whb n GLN 144 Ca 0.03 -2.65 0.01 0.00 -1.83 0.00 0.00 57.00 52.55 1whb n GLN 144 Cb 0.29 -2.04 0.02 0.00 -0.86 0.00 0.00 30.24 27.64 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 -0.56 0.09 -3.99 2.61 9.36 -1.19 -5.10 117.16 118.38 1whb n TYR 145 Ca 0.51 -0.90 -0.11 0.00 3.32 0.00 0.00 57.90 60.73 1whb n TYR 145 Cb 0.80 0.09 -0.12 0.00 -0.63 0.00 0.00 39.34 39.48 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1whb s THR 146 N -0.71 0.19 0.40 2.97 -4.23 -1.26 -3.06 115.64 109.94 1whb s THR 146 Ca 0.24 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1whb s THR 146 Cb 0.30 -0.29 0.21 0.00 1.34 0.00 0.00 72.50 74.06 1whb s THR 146 CO -0.11 -0.37 1.99 0.71 -0.54 0.00 0.00 174.62 176.31 1whb h THR 147 N 4.72 1.13 -3.13 3.99 1.35 -1.74 -3.38 112.91 115.85 1whb h THR 147 Ca -0.31 -0.45 -0.54 0.00 -0.55 0.00 0.00 66.41 64.55 1whb h THR 147 Cb 1.21 0.87 -0.40 0.00 -1.73 0.00 0.00 68.15 68.09 1whb h THR 147 CO 0.43 0.16 -0.76 0.21 -0.25 0.00 0.00 175.52 175.31 1whb s ASN 148 N -6.81 3.37 -0.46 5.36 2.47 -1.26 -4.99 114.94 112.62 1whb s ASN 148 Ca -0.07 -1.17 0.04 0.00 0.42 0.00 0.00 52.86 52.08 1whb s ASN 148 Cb 0.16 -0.62 0.54 0.00 -1.45 0.00 0.00 41.25 39.89 1whb s ASN 148 CO 0.73 -0.37 1.77 0.00 -3.72 0.00 0.00 177.10 175.51 1whb n ALA 149 N 5.03 5.47 -3.49 1.71 0.00 -1.26 -4.56 120.51 123.41 1whb n ALA 149 Ca -0.06 -3.24 -0.27 0.00 0.00 0.00 0.00 53.44 49.87 1whb n ALA 149 Cb 0.45 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1whb n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whb n LYS 150 N -1.02 1.42 -3.98 0.00 4.76 -1.26 -5.08 118.16 112.99 1whb n LYS 150 Ca 0.53 -3.97 -0.09 0.00 -2.87 0.00 0.00 58.31 51.91 1whb n LYS 150 Cb 1.13 -1.90 -0.07 0.00 -1.84 0.00 0.00 35.03 32.35 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1whb s VAL 151 N -1.35 0.08 -0.11 -0.18 -7.23 -1.26 -5.08 120.40 105.27 1whb s VAL 151 Ca 0.33 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1whb s VAL 151 Cb 0.08 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 1whb s VAL 151 CO -0.12 -0.37 -0.10 -0.24 -0.31 0.00 0.00 175.10 173.96 1whb n SER 152 N -0.18 2.67 0.00 4.85 2.88 -1.26 -5.15 113.62 117.44 1whb n SER 152 Ca -0.08 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1whb n SER 152 Cb 0.63 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whb n GLY 153 N 2.85 3.29 3.56 0.46 0.00 -1.26 -5.10 105.19 109.00 1whb n GLY 153 Ca -0.19 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.60 0.89 -3.12 1.61 -0.02 -1.26 -4.95 135.00 126.54 1whb n PRO 154 Ca 0.00 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 1whb n PRO 154 Cb 0.00 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.07 7.10 -0.40 2.55 0.01 -1.26 -4.51 113.70 116.11 1whb s SER 155 Ca 0.70 1.31 -0.13 0.00 1.31 0.00 0.00 55.95 59.13 1whb s SER 155 Cb -0.47 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.36 1whb s SER 155 CO 0.52 0.11 0.50 -1.20 0.41 0.00 0.00 173.24 173.58 1whb n SER 156 N 2.53 -7.88 0.00 2.44 7.64 -1.26 -5.32 113.62 111.76 1whb n SER 156 Ca -0.06 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1whb n SER 156 Cb 0.50 -5.33 0.00 0.00 -1.01 0.00 0.00 64.21 58.38 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64