#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whg n SER 2 N 0.00 -3.01 -3.74 1.61 7.64 -1.26 -5.08 113.62 109.77 1whg n SER 2 Ca 0.00 1.49 -0.10 0.00 1.01 0.00 0.00 58.87 61.27 1whg n SER 2 Cb 0.00 -5.21 -0.05 0.00 -1.01 0.00 0.00 64.21 57.94 1whg n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whg s SER 3 N -0.64 -0.18 0.00 6.43 1.04 -1.26 -4.86 113.70 114.24 1whg s SER 3 Ca -0.21 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1whg s SER 3 Cb 0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1whg s SER 3 CO 0.55 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1whg n GLY 4 N -0.26 2.85 0.01 7.32 0.00 -1.26 -4.39 105.19 109.46 1whg n GLY 4 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1whg n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whg n SER 5 N 0.06 0.00 -1.39 1.61 3.41 -1.26 -5.17 113.62 110.88 1whg n SER 5 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1whg n SER 5 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1whg n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1whg n SER 6 N -0.71 -8.26 0.00 4.04 3.41 -1.26 -4.94 113.62 105.89 1whg n SER 6 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1whg n SER 6 Cb 0.00 -4.26 0.00 0.00 -0.26 0.00 0.00 64.21 59.69 1whg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whg n GLY 7 N -4.11 2.09 3.47 5.00 0.00 -1.26 -5.04 105.19 105.34 1whg n GLY 7 Ca 0.01 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1whg n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1whg s ASN 8 N -0.10 6.19 -0.08 1.61 0.01 -1.26 -4.86 114.94 116.45 1whg s ASN 8 Ca 0.00 -0.79 0.03 0.00 -0.71 0.00 0.00 52.86 51.39 1whg s ASN 8 Cb 0.00 -2.23 -0.07 0.00 0.41 0.00 0.00 41.25 39.36 1whg s ASN 8 CO 0.00 -0.63 -0.04 1.21 -1.51 0.00 0.00 177.10 176.14 1whg n GLU 9 N 5.62 1.30 -0.04 -0.60 2.13 -1.26 -4.71 120.64 123.07 1whg n GLU 9 Ca -0.08 0.03 -0.03 0.00 0.66 0.00 0.00 57.16 57.74 1whg n GLU 9 Cb 0.47 -1.18 -0.08 0.00 0.27 0.00 0.00 31.44 30.92 1whg n GLU 9 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1whg n GLU 10 N -2.56 2.04 0.05 5.31 -0.58 -1.26 -4.54 120.64 119.10 1whg n GLU 10 Ca -0.14 -0.02 0.15 0.00 -0.42 0.00 0.00 57.16 56.72 1whg n GLU 10 Cb 0.69 -1.24 0.62 0.00 -0.57 0.00 0.00 31.44 30.94 1whg n GLU 10 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1whg h LEU 11 N 0.00 0.10 -1.62 -4.62 5.85 -1.93 -0.07 115.31 113.02 1whg h LEU 11 Ca -0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1whg h LEU 11 Cb 1.38 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1whg h LEU 11 CO 0.01 0.06 0.22 -0.09 -0.34 0.00 0.00 178.44 178.30 1whg h ARG 12 N 0.11 0.47 0.02 1.25 2.43 -1.84 -0.29 114.38 116.53 1whg h ARG 12 Ca 0.19 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 59.05 1whg h ARG 12 Cb 0.60 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1whg h ARG 12 CO -0.02 0.33 -1.54 0.00 -1.51 0.00 0.00 179.97 177.22 1whg h ALA 13 N 1.76 0.62 0.00 2.80 0.00 -1.33 -3.33 119.26 119.77 1whg h ALA 13 Ca 0.13 -1.30 -0.06 0.00 0.00 0.00 0.00 54.91 53.67 1whg h ALA 13 Cb -0.03 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1whg h ALA 13 CO -0.03 1.46 -0.30 0.37 0.00 0.00 0.00 179.25 180.76 1whg h GLN 14 N 0.01 0.00 -1.07 0.00 4.15 -0.77 -2.97 115.11 114.46 1whg h GLN 14 Ca -0.22 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.69 1whg h GLN 14 Cb 1.96 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 29.39 1whg h GLN 14 CO 0.10 0.30 0.65 1.04 -1.93 0.00 0.00 178.83 178.98 1whg n GLN 15 N -3.51 2.24 -0.09 1.69 6.02 -0.17 -3.94 117.38 119.63 1whg n GLN 15 Ca -0.00 -2.67 -0.18 0.00 -0.01 0.00 0.00 57.00 54.15 1whg n GLN 15 Cb 0.45 -2.05 -0.13 0.00 1.02 0.00 0.00 30.24 29.54 1whg n GLN 15 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1whg n GLU 16 N -0.74 0.68 -0.05 -1.09 1.02 -1.12 -4.11 120.64 115.22 1whg n GLU 16 Ca 0.52 0.17 -0.06 0.00 -0.02 0.00 0.00 57.16 57.77 1whg n GLU 16 Cb 1.09 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 30.85 1whg n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1whg n ALA 17 N -3.10 1.73 0.17 0.62 0.00 -1.26 -4.49 120.51 114.18 1whg n ALA 17 Ca -0.40 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 52.38 1whg n ALA 17 Cb 1.03 0.03 0.31 0.00 0.00 0.00 0.00 19.45 20.82 1whg n ALA 17 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1whg h GLU 18 N 0.00 0.00 -0.95 0.00 3.07 -1.83 0.16 114.58 115.03 1whg h GLU 18 Ca -0.29 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.16 1whg h GLU 18 Cb 1.65 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 29.31 1whg h GLU 18 CO 0.01 0.44 0.52 0.00 -1.40 0.00 0.00 179.01 178.58 1whg n ALA 19 N -2.36 5.11 0.00 3.43 0.00 -1.26 -3.44 120.51 121.99 1whg n ALA 19 Ca -0.01 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1whg n ALA 19 Cb 0.51 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1whg n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whg n ALA 20 N -0.79 1.34 -0.08 0.00 0.00 -1.09 -4.81 120.51 115.07 1whg n ALA 20 Ca 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 1whg n ALA 20 Cb 1.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.85 1whg n ALA 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1whg h GLN 21 N 0.00 0.00 0.00 0.00 5.75 -0.89 -3.28 115.11 116.69 1whg h GLN 21 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1whg h GLN 21 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1whg h GLN 21 CO 0.00 0.81 -0.33 0.00 -2.65 0.00 0.00 178.83 176.66 1whg h ARG 22 N -1.00 0.00 -1.04 1.69 2.47 -1.62 -2.72 114.38 112.16 1whg h ARG 22 Ca -0.14 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.10 1whg h ARG 22 Cb 0.98 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.04 1whg h ARG 22 CO -0.08 0.33 0.62 -0.11 0.56 0.00 0.00 179.97 181.28 1whg n LEU 23 N -3.85 6.52 0.07 3.04 7.94 -1.22 -4.36 117.00 125.15 1whg n LEU 23 Ca -0.01 -3.50 -0.10 0.00 -1.11 0.00 0.00 56.01 51.29 1whg n LEU 23 Cb 0.41 -0.85 -0.13 0.00 0.53 0.00 0.00 43.42 43.38 1whg n LEU 23 CO 0.37 1.09 0.04 0.77 -1.11 0.00 0.00 177.39 178.54 1whg h SER 24 N 1.12 0.15 -0.30 1.96 4.64 -1.54 -3.03 113.55 116.55 1whg h SER 24 Ca 0.54 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.58 1whg h SER 24 Cb 2.14 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 64.18 1whg h SER 24 CO 1.06 1.13 -0.26 -0.33 -0.87 0.00 0.00 176.83 177.56 1whg h GLU 25 N 0.03 0.71 -0.21 4.77 5.08 -1.83 -1.32 114.58 121.81 1whg h GLU 25 Ca -0.07 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 1whg h GLU 25 Cb 1.85 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 1whg h GLU 25 CO 0.15 0.97 -0.23 0.93 -1.00 0.00 0.00 179.01 179.83 1whg h GLU 26 N 0.46 0.38 -0.09 2.33 5.08 -1.87 -2.73 114.58 118.13 1whg h GLU 26 Ca 0.05 -0.13 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 1whg h GLU 26 Cb 0.83 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1whg h GLU 26 CO 0.07 0.59 -0.80 -0.22 -1.00 0.00 0.00 179.01 177.65 1whg h LYS 27 N 0.34 0.57 0.20 2.33 3.64 -1.43 -2.50 116.57 119.71 1whg h LYS 27 Ca 0.05 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1whg h LYS 27 Cb 0.60 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1whg h LYS 27 CO 0.04 1.12 -0.10 0.00 -2.27 0.00 0.00 179.45 178.24 1whg h ALA 28 N 0.74 -0.27 -0.04 5.00 0.00 -1.02 0.05 119.26 123.72 1whg h ALA 28 Ca -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1whg h ALA 28 Cb 1.40 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1whg h ALA 28 CO 0.15 -0.65 0.02 1.96 0.00 0.00 0.00 179.25 180.73 1whg h GLN 29 N -0.27 0.06 -0.07 0.00 7.50 -1.56 -2.36 115.11 118.41 1whg h GLN 29 Ca -0.03 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.14 1whg h GLN 29 Cb 0.21 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.73 1whg h GLN 29 CO 0.04 0.17 0.08 0.00 -1.50 0.00 0.00 178.83 177.62 1whg h ALA 30 N 0.89 1.72 -0.96 3.87 0.00 -1.36 -0.24 119.26 123.17 1whg h ALA 30 Ca 0.01 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.39 1whg h ALA 30 Cb 0.13 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.63 1whg h ALA 30 CO -0.00 -0.11 0.68 0.43 0.00 0.00 0.00 179.25 180.24 1whg n SER 31 N -3.95 4.51 0.00 0.00 7.64 -0.00 -4.36 113.62 117.45 1whg n SER 31 Ca -0.01 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1whg n SER 31 Cb 0.17 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1whg n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whg n ALA 32 N -1.04 2.06 -1.99 -0.43 0.00 -0.21 -4.98 120.51 113.92 1whg n ALA 32 Ca 0.58 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.64 1whg n ALA 32 Cb 1.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.86 1whg n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1whg s ILE 33 N -1.61 3.34 1.21 0.00 1.01 -0.54 -4.97 121.20 119.63 1whg s ILE 33 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1whg s ILE 33 Cb 0.00 -3.82 0.30 0.00 0.01 0.00 0.00 42.46 38.94 1whg s ILE 33 CO 0.00 -0.77 1.02 -0.44 0.00 0.00 0.00 174.94 174.74 1whg s SER 34 N 8.27 0.69 -0.04 3.58 0.01 -1.26 -4.97 113.70 119.98 1whg s SER 34 Ca 0.71 1.31 -0.09 0.00 1.31 0.00 0.00 55.95 59.20 1whg s SER 34 Cb -0.14 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 1whg s SER 34 CO 0.23 -4.35 0.26 -0.69 0.41 0.00 0.00 173.24 169.10 1whg s VAL 35 N -2.49 5.29 0.00 3.43 1.01 -1.26 -4.34 120.40 122.04 1whg s VAL 35 Ca 0.68 0.38 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1whg s VAL 35 Cb -0.22 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1whg s VAL 35 CO 0.63 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.85 1whg n GLY 36 N 1.62 0.78 3.16 4.51 0.00 0.49 -4.98 105.19 110.78 1whg n GLY 36 Ca -0.15 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1whg n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 37 N -2.72 2.92 -0.11 1.61 0.01 -1.26 -4.90 113.70 109.26 1whg s SER 37 Ca 0.00 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.43 1whg s SER 37 Cb 0.00 -1.34 -0.06 0.00 0.21 0.00 0.00 66.02 64.83 1whg s SER 37 CO 0.00 0.10 1.98 -0.13 0.41 0.00 0.00 173.24 175.59 1whg s ARG 38 N 0.64 3.72 0.07 12.44 1.81 -1.26 -3.05 118.95 133.32 1whg s ARG 38 Ca -0.12 2.21 0.02 0.00 -1.72 0.00 0.00 55.73 56.12 1whg s ARG 38 Cb -0.16 -4.20 -0.03 0.00 -0.45 0.00 0.00 34.95 30.10 1whg s ARG 38 CO 0.03 -1.42 -0.07 0.00 -0.68 0.00 0.00 175.30 173.16 1whg s GLU 40 N -2.62 3.71 -0.03 0.00 2.56 0.29 -1.45 118.70 121.16 1whg s GLU 40 Ca -0.00 0.61 0.01 0.00 0.00 0.00 0.00 54.97 55.59 1whg s GLU 40 Cb -0.03 -2.23 0.01 0.00 2.00 0.00 0.00 34.13 33.88 1whg s GLU 40 CO -0.02 -0.30 -0.04 0.08 -0.56 0.00 0.00 175.26 174.42 1whg s VAL 41 N -2.77 0.47 -0.24 3.70 1.01 0.01 -0.13 120.40 122.44 1whg s VAL 41 Ca 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 1whg s VAL 41 Cb -0.10 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1whg s VAL 41 CO 0.42 0.18 -0.05 -0.60 0.00 0.00 0.00 175.10 175.05 1whg s ARG 42 N 0.57 2.96 0.19 2.72 3.52 -0.15 -1.39 118.95 127.37 1whg s ARG 42 Ca -0.07 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 1whg s ARG 42 Cb -0.10 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1whg s ARG 42 CO -0.00 -0.36 0.06 0.00 -0.81 0.00 0.00 175.30 174.20 1whg s ALA 43 N 1.36 1.30 -1.37 6.12 0.00 -1.26 -4.83 121.76 123.07 1whg s ALA 43 Ca 0.02 -1.66 0.19 0.00 0.00 0.00 0.00 51.96 50.51 1whg s ALA 43 Cb -0.16 0.92 0.96 0.00 0.00 0.00 0.00 23.12 24.85 1whg s ALA 43 CO -0.04 -0.45 1.61 -0.35 0.00 0.00 0.00 175.76 176.53 1whg n PRO 44 N -0.27 0.24 -0.10 0.00 -0.04 -1.26 -3.60 135.00 129.98 1whg n PRO 44 Ca -0.03 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1whg n PRO 44 Cb 0.65 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1whg n PRO 44 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1whg h ASP 45 N 0.00 -0.03 0.00 3.54 5.19 -2.01 -3.46 116.42 119.65 1whg h ASP 45 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1whg h ASP 45 Cb 0.20 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1whg h ASP 45 CO 0.00 0.02 0.00 1.57 -3.12 0.00 0.00 179.24 177.71 1whg n HIS 46 N -5.12 -1.40 -3.03 4.55 -0.00 -1.24 -5.18 115.22 103.81 1whg n HIS 46 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1whg n HIS 46 Cb 0.16 0.28 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1whg n HIS 46 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1whg n SER 47 N -1.85 0.00 -4.76 0.26 3.41 -1.26 -4.97 113.62 104.44 1whg n SER 47 Ca 0.00 -0.99 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 1whg n SER 47 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1whg s LEU 48 N 0.00 4.34 0.09 1.04 1.43 -1.26 -4.39 118.68 119.93 1whg s LEU 48 Ca 0.00 2.99 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 1whg s LEU 48 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1whg s LEU 48 CO 0.00 -0.91 -0.04 -0.13 0.23 0.00 0.00 176.35 175.50 1whg s ARG 49 N -0.99 0.78 0.13 1.70 1.81 -0.48 -4.94 118.95 116.96 1whg s ARG 49 Ca 0.60 -1.31 -0.23 0.00 -1.72 0.00 0.00 55.73 53.07 1whg s ARG 49 Cb -0.48 -0.04 -0.07 0.00 -0.45 0.00 0.00 34.95 33.91 1whg s ARG 49 CO 0.53 -0.07 0.70 1.03 -0.68 0.00 0.00 175.30 176.80 1whg s ARG 50 N -3.88 4.42 0.37 3.54 1.81 -1.26 -0.81 118.95 123.13 1whg s ARG 50 Ca 0.12 0.99 -0.14 0.00 -1.72 0.00 0.00 55.73 54.97 1whg s ARG 50 Cb 0.06 -3.24 0.04 0.00 -0.45 0.00 0.00 34.95 31.36 1whg s ARG 50 CO -0.06 0.59 0.73 0.20 -0.68 0.00 0.00 175.30 176.09 1whg s GLY 51 N -1.15 0.48 0.01 -3.53 0.00 -0.53 -4.30 107.32 98.31 1whg s GLY 51 Ca 0.33 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.27 1whg s GLY 51 CO 0.23 -0.39 -0.12 -1.59 0.00 0.00 0.00 173.10 171.23 1whg s THR 52 N -2.61 0.96 0.01 0.90 2.01 -1.18 -0.61 115.64 115.12 1whg s THR 52 Ca 0.17 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1whg s THR 52 Cb -0.04 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1whg s THR 52 CO 0.12 0.17 1.18 -0.69 -0.69 0.00 0.00 174.62 174.71 1whg s VAL 53 N -0.46 4.21 -0.01 3.82 1.01 -1.17 -3.24 120.40 124.55 1whg s VAL 53 Ca 0.03 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1whg s VAL 53 Cb -0.06 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1whg s VAL 53 CO 0.00 0.08 -0.02 0.23 0.00 0.00 0.00 175.10 175.39 1whg n MET 54 N 4.38 0.03 -4.06 2.72 2.81 -0.51 -0.38 117.12 122.12 1whg n MET 54 Ca 0.09 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 1whg n MET 54 Cb 0.47 -0.74 -0.13 0.00 -0.71 0.00 0.00 33.22 32.11 1whg n MET 54 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1whg s TYR 55 N -2.03 0.45 -0.10 2.03 6.14 -1.23 -4.88 117.35 117.73 1whg s TYR 55 Ca -0.02 -0.27 -0.05 0.00 0.64 0.00 0.00 57.07 57.37 1whg s TYR 55 Cb 0.01 -0.28 0.04 0.00 0.42 0.00 0.00 41.96 42.15 1whg s TYR 55 CO 0.03 -0.06 0.23 0.08 0.64 0.00 0.00 175.55 176.47 1whg s VAL 56 N -0.71 -0.04 -5.00 3.14 1.01 -1.26 -0.71 120.40 116.83 1whg s VAL 56 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1whg s VAL 56 Cb -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1whg s VAL 56 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1whg n GLY 57 N 4.07 -0.17 3.94 4.51 0.00 -0.78 -5.01 105.19 111.76 1whg n GLY 57 Ca -0.24 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 1whg n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whg s LEU 58 N 0.00 4.22 0.47 0.99 1.43 -1.26 0.57 118.68 125.11 1whg s LEU 58 Ca 0.00 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1whg s LEU 58 Cb 0.00 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1whg s LEU 58 CO 0.00 -0.07 0.04 0.42 0.23 0.00 0.00 176.35 176.98 1whg s THR 59 N -1.92 1.01 -0.09 5.49 -4.23 -1.25 -4.88 115.64 109.77 1whg s THR 59 Ca 0.38 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1whg s THR 59 Cb -0.11 -2.25 -0.11 0.00 1.34 0.00 0.00 72.50 71.37 1whg s THR 59 CO 0.30 0.00 0.01 -0.67 -0.54 0.00 0.00 174.62 173.72 1whg n ASP 60 N -1.27 2.82 0.11 3.99 2.03 -1.26 -4.57 116.55 118.40 1whg n ASP 60 Ca -0.14 -0.01 -0.01 0.00 0.52 0.00 0.00 54.79 55.14 1whg n ASP 60 Cb 0.66 0.61 0.23 0.00 -0.72 0.00 0.00 41.12 41.90 1whg n ASP 60 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1whg h PHE 61 N 0.00 0.22 -3.66 -0.67 -5.15 -1.98 -3.44 116.94 102.26 1whg h PHE 61 Ca -0.25 -0.06 -0.17 0.00 -0.20 0.00 0.00 57.97 57.29 1whg h PHE 61 Cb 1.54 -0.05 -0.23 0.00 0.22 0.00 0.00 35.95 37.43 1whg h PHE 61 CO 0.00 0.59 -0.60 0.15 -2.00 0.00 0.00 178.31 176.45 1whg s LYS 62 N -4.09 0.29 0.67 6.09 1.02 -1.26 -5.16 119.74 117.30 1whg s LYS 62 Ca -0.04 -0.28 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 1whg s LYS 62 Cb 0.13 0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 37.56 1whg s LYS 62 CO 0.77 -0.06 1.06 -1.25 -0.92 0.00 0.00 175.35 174.95 1whg s PRO 63 N -0.90 3.02 0.05 -1.68 0.04 -1.26 -4.19 135.00 130.07 1whg s PRO 63 Ca -0.10 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1whg s PRO 63 Cb -0.06 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1whg s PRO 63 CO 0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1whg n GLY 64 N -1.59 -3.34 3.82 0.56 0.00 -1.26 -4.95 105.19 98.43 1whg n GLY 64 Ca 0.08 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1whg n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whg s TYR 65 N -0.89 3.76 0.16 1.61 2.02 -1.26 -3.78 117.35 118.96 1whg s TYR 65 Ca 0.00 1.20 0.07 0.00 -0.37 0.00 0.00 57.07 57.97 1whg s TYR 65 Cb 0.00 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 1whg s TYR 65 CO 0.00 0.57 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.81 1whg s TRP 66 N -1.17 1.61 -0.14 2.71 0.52 0.19 -4.57 118.94 118.10 1whg s TRP 66 Ca 0.30 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 55.85 1whg s TRP 66 Cb -0.18 -0.80 0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1whg s TRP 66 CO 0.18 0.25 0.03 0.08 0.02 0.00 0.00 176.95 177.52 1whg s VAL 67 N -2.37 0.33 -0.05 4.03 1.01 0.11 -1.86 120.40 121.60 1whg s VAL 67 Ca 0.15 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1whg s VAL 67 Cb -0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1whg s VAL 67 CO 0.05 -0.03 1.19 -0.83 0.00 0.00 0.00 175.10 175.48 1whg s GLY 68 N 1.97 2.14 -0.04 4.51 0.00 0.11 -2.43 107.32 113.57 1whg s GLY 68 Ca 0.02 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.38 1whg s GLY 68 CO -0.07 2.19 -0.04 0.14 0.00 0.00 0.00 173.10 175.32 1whg s VAL 69 N 2.10 0.49 -0.13 1.40 1.01 -0.67 -1.42 120.40 123.18 1whg s VAL 69 Ca 0.56 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1whg s VAL 69 Cb -0.25 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1whg s VAL 69 CO 0.23 0.21 0.10 -0.60 0.00 0.00 0.00 175.10 175.04 1whg s ARG 70 N 0.88 3.46 0.20 2.72 3.52 -1.20 -1.10 118.95 127.42 1whg s ARG 70 Ca -0.11 -0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.25 1whg s ARG 70 Cb -0.14 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 1whg s ARG 70 CO 0.00 0.67 0.40 0.71 -0.81 0.00 0.00 175.30 176.28 1whg s TYR 71 N -0.74 3.48 0.09 5.12 2.02 -0.52 -3.11 117.35 123.68 1whg s TYR 71 Ca 0.13 0.42 -0.24 0.00 -0.37 0.00 0.00 57.07 57.00 1whg s TYR 71 Cb -0.12 -1.91 -0.15 0.00 -0.40 0.00 0.00 41.96 39.38 1whg s TYR 71 CO 0.03 0.37 1.72 -0.44 -1.57 0.00 0.00 175.55 175.66 1whg h ASP 72 N 2.15 -0.11 -1.77 2.29 3.32 -1.91 -3.44 116.42 116.95 1whg h ASP 72 Ca -0.47 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.15 1whg h ASP 72 Cb 1.18 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.78 1whg h ASP 72 CO 0.69 -0.08 -0.28 -1.61 -1.72 0.00 0.00 179.24 176.24 1whg s GLU 73 N -6.17 2.99 -0.61 3.56 8.01 -1.26 -4.97 118.70 120.25 1whg s GLU 73 Ca -0.14 -1.05 -0.27 0.00 0.01 0.00 0.00 54.97 53.52 1whg s GLU 73 Cb 0.06 -2.77 -0.27 0.00 -4.31 0.00 0.00 34.13 26.84 1whg s GLU 73 CO 0.65 -0.11 1.85 -2.30 0.01 0.00 0.00 175.26 175.36 1whg n PRO 74 N -1.77 0.45 -0.01 0.39 -0.02 -1.26 -4.26 135.00 128.52 1whg n PRO 74 Ca 0.03 -1.53 -0.00 0.00 -2.02 0.00 0.00 63.50 59.98 1whg n PRO 74 Cb 0.58 -3.18 -0.03 0.00 -0.02 0.00 0.00 33.50 30.85 1whg n PRO 74 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1whg n LEU 75 N 12.98 0.00 -4.38 2.45 4.77 -1.14 -4.92 117.00 126.76 1whg n LEU 75 Ca 0.45 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 56.11 1whg n LEU 75 Cb 0.44 0.06 0.17 0.00 -2.33 0.00 0.00 43.42 41.76 1whg n LEU 75 CO 0.92 0.06 -0.14 0.61 -1.33 0.00 0.00 177.39 177.51 1whg n GLY 76 N 2.55 -2.11 0.02 -0.72 0.00 -1.17 -4.83 105.19 98.92 1whg n GLY 76 Ca -0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 1whg n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whg n LYS 77 N -2.62 0.12 -2.60 1.61 4.76 -1.26 -3.92 118.16 114.25 1whg n LYS 77 Ca 0.04 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.26 1whg n LYS 77 Cb 0.58 -1.07 0.03 0.00 -1.84 0.00 0.00 35.03 32.72 1whg n LYS 77 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1whg s ASN 78 N -4.34 5.48 -0.11 4.39 0.02 -1.01 -4.35 114.94 115.02 1whg s ASN 78 Ca -0.05 0.38 0.08 0.00 -1.02 0.00 0.00 52.86 52.25 1whg s ASN 78 Cb 0.01 -1.37 -0.24 0.00 0.02 0.00 0.00 41.25 39.67 1whg s ASN 78 CO 0.08 -1.05 0.41 -0.67 0.02 0.00 0.00 177.10 175.89 1whg n ASP 79 N -2.43 1.11 0.00 -1.22 -0.08 -1.25 -3.31 116.55 109.37 1whg n ASP 79 Ca 0.05 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1whg n ASP 79 Cb 0.58 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whg n GLY 80 N 1.75 1.25 3.18 0.27 0.00 -1.26 -4.10 105.19 106.28 1whg n GLY 80 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1whg n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whg s SER 81 N -0.27 2.77 -0.04 1.61 1.04 -1.26 -2.37 113.70 115.19 1whg s SER 81 Ca 0.00 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1whg s SER 81 Cb 0.00 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.89 1whg s SER 81 CO 0.00 0.13 -0.07 -0.69 0.98 0.00 0.00 173.24 173.60 1whg s VAL 82 N 0.39 0.66 -1.23 5.02 1.01 -0.29 -4.82 120.40 121.14 1whg s VAL 82 Ca -0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1whg s VAL 82 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1whg s VAL 82 CO 0.08 0.24 1.05 0.59 0.00 0.00 0.00 175.10 177.05 1whg n ASN 83 N 3.71 -3.66 -2.16 3.32 5.03 -1.26 -1.94 115.26 118.30 1whg n ASN 83 Ca -0.22 -0.58 -0.20 0.00 0.87 0.00 0.00 54.58 54.45 1whg n ASN 83 Cb 0.52 -4.99 -0.02 0.00 -1.02 0.00 0.00 39.78 34.27 1whg n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1whg n GLY 84 N -1.45 -0.04 2.90 7.41 0.00 -1.26 -4.97 105.19 107.77 1whg n GLY 84 Ca -0.17 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1whg n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whg s LYS 85 N -4.77 1.45 0.23 1.61 2.20 -0.82 -5.12 119.74 114.52 1whg s LYS 85 Ca 0.00 -0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 54.65 1whg s LYS 85 Cb 0.00 -2.38 -0.08 0.00 -1.51 0.00 0.00 37.83 33.86 1whg s LYS 85 CO 0.00 -0.56 0.69 0.50 -0.36 0.00 0.00 175.35 175.62 1whg s ARG 86 N 1.52 4.13 -0.01 4.03 3.52 -1.26 -1.14 118.95 129.74 1whg s ARG 86 Ca -0.03 0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 56.29 1whg s ARG 86 Cb -0.18 -2.77 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 1whg s ARG 86 CO -0.07 0.35 -0.02 0.66 -0.81 0.00 0.00 175.30 175.41 1whg n TYR 87 N 0.43 0.00 -4.28 5.12 4.02 -1.00 -4.98 117.16 116.47 1whg n TYR 87 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 1whg n TYR 87 Cb 0.52 -0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.70 1whg n TYR 87 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whg s PHE 88 N -2.03 1.69 -0.49 -0.72 -0.12 -1.26 -4.71 117.98 110.34 1whg s PHE 88 Ca -0.02 -1.61 -0.12 0.00 -0.05 0.00 0.00 56.93 55.12 1whg s PHE 88 Cb 0.01 -0.72 0.11 0.00 -0.63 0.00 0.00 43.02 41.79 1whg s PHE 88 CO 0.03 -0.81 0.40 -1.21 -0.05 0.00 0.00 175.22 173.57 1whg s GLU 89 N -3.55 2.72 0.34 1.99 8.01 -1.26 -4.83 118.70 122.12 1whg s GLU 89 Ca 0.40 -1.68 -0.11 0.00 0.01 0.00 0.00 54.97 53.60 1whg s GLU 89 Cb 0.03 -4.06 0.04 0.00 -4.31 0.00 0.00 34.13 25.83 1whg s GLU 89 CO 0.25 -1.20 0.64 0.00 0.01 0.00 0.00 175.26 174.95 1whg n GLN 91 N -0.48 1.19 -2.63 0.00 7.27 -1.26 -4.84 117.38 116.63 1whg n GLN 91 Ca -0.06 -1.23 -0.33 0.00 0.07 0.00 0.00 57.00 55.45 1whg n GLN 91 Cb 0.52 0.12 -0.05 0.00 2.41 0.00 0.00 30.24 33.24 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1whg s ALA 92 N -2.28 2.96 -1.42 1.69 0.00 -1.26 -3.73 121.76 117.72 1whg s ALA 92 Ca 0.12 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 1whg s ALA 92 Cb -0.01 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1whg s ALA 92 CO 0.07 -0.13 0.83 1.63 0.00 0.00 0.00 175.76 178.17 1whg n LYS 93 N -0.94 -6.03 0.03 0.00 5.02 -1.23 -4.80 118.16 110.20 1whg n LYS 93 Ca 0.08 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1whg n LYS 93 Cb 0.53 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 1whg n LYS 93 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1whg n TYR 94 N -4.67 -0.75 -3.41 2.13 4.01 -1.24 -2.89 117.16 110.34 1whg n TYR 94 Ca -0.06 0.10 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1whg n TYR 94 Cb 0.59 0.59 -0.09 0.00 -0.31 0.00 0.00 39.34 40.12 1whg n TYR 94 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1whg s GLY 95 N -4.58 1.91 0.27 2.72 0.00 -1.21 -1.44 107.32 104.99 1whg s GLY 95 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 44.72 43.51 1whg s GLY 95 CO 0.00 0.98 0.23 0.00 0.00 0.00 0.00 173.10 174.31 1whg s ALA 96 N 1.98 3.66 -0.31 3.20 0.00 -0.26 -2.40 121.76 127.63 1whg s ALA 96 Ca 0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 1whg s ALA 96 Cb -0.17 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.69 1whg s ALA 96 CO 0.12 0.20 0.04 -0.06 0.00 0.00 0.00 175.76 176.06 1whg s PHE 97 N -2.16 3.24 0.52 0.00 0.08 -1.26 -1.67 117.98 116.72 1whg s PHE 97 Ca 0.35 -1.61 0.01 0.00 0.12 0.00 0.00 56.93 55.80 1whg s PHE 97 Cb -0.08 -2.18 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 1whg s PHE 97 CO 0.26 -0.75 0.01 0.14 -0.10 0.00 0.00 175.22 174.78 1whg s VAL 98 N 1.34 0.98 0.09 -0.44 -7.23 -1.02 -4.94 120.40 109.18 1whg s VAL 98 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1whg s VAL 98 Cb -0.19 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1whg s VAL 98 CO 0.01 0.00 0.04 -0.54 -0.31 0.00 0.00 175.10 174.30 1whg s LYS 99 N -3.88 2.73 0.20 4.82 -0.14 -1.26 0.06 119.74 122.27 1whg s LYS 99 Ca 0.03 -0.77 -0.17 0.00 -1.36 0.00 0.00 55.97 53.71 1whg s LYS 99 Cb 0.00 -2.64 0.19 0.00 -1.68 0.00 0.00 37.83 33.71 1whg s LYS 99 CO 0.02 0.55 1.61 -1.35 -0.76 0.00 0.00 175.35 175.42 1whg h PRO 100 N 3.32 -0.08 -0.15 -1.68 0.11 -1.89 1.55 132.00 133.18 1whg h PRO 100 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1whg h PRO 100 Cb 1.17 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1whg h PRO 100 CO 0.63 -0.05 0.22 0.66 -0.21 0.00 0.00 178.00 179.24 1whg h SER 101 N -0.08 0.00 0.63 -2.05 4.64 -1.91 0.84 113.55 115.62 1whg h SER 101 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1whg h SER 101 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1whg h SER 101 CO -0.67 0.00 -0.66 0.00 -0.87 0.00 0.00 176.83 174.63 1whg n ALA 102 N -2.23 3.28 -3.00 5.18 0.00 0.50 -4.80 120.51 119.43 1whg n ALA 102 Ca 0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1whg n ALA 102 Cb 0.33 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 1whg n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1whg s VAL 103 N -3.11 4.39 -0.24 0.00 1.01 0.29 -0.98 120.40 121.76 1whg s VAL 103 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1whg s VAL 103 Cb 0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1whg s VAL 103 CO 0.73 0.36 0.05 -0.89 0.00 0.00 0.00 175.10 175.35 1whg s THR 104 N 1.42 4.18 0.30 3.92 2.01 0.81 -4.85 115.64 123.43 1whg s THR 104 Ca 0.05 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 1whg s THR 104 Cb -0.15 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.32 1whg s THR 104 CO 0.04 0.36 1.17 -0.69 -0.69 0.00 0.00 174.62 174.80 1whg s VAL 105 N 1.56 3.22 -0.05 3.82 1.01 -1.26 0.11 120.40 128.81 1whg s VAL 105 Ca 0.06 1.23 0.18 0.00 0.00 0.00 0.00 61.98 63.46 1whg s VAL 105 Cb -0.15 -3.79 0.34 0.00 0.00 0.00 0.00 36.38 32.79 1whg s VAL 105 CO 0.03 0.29 1.15 0.61 0.00 0.00 0.00 175.10 177.18 1whg n GLY 106 N 1.07 1.87 2.68 4.51 0.00 -1.20 -4.84 105.19 109.28 1whg n GLY 106 Ca -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 1whg n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whg s ASP 107 N -2.09 -0.21 -0.90 1.61 -1.08 -1.25 -4.97 116.67 107.78 1whg s ASP 107 Ca 0.28 -0.22 -0.16 0.00 -0.52 0.00 0.00 52.55 51.94 1whg s ASP 107 Cb 0.31 0.27 0.18 0.00 -1.46 0.00 0.00 42.92 42.22 1whg s ASP 107 CO -0.11 -0.01 0.97 -0.55 0.52 0.00 0.00 175.17 175.99 1whg s SER 108 N 1.21 6.75 0.00 -0.34 0.15 -1.26 -4.53 113.70 115.68 1whg s SER 108 Ca 0.21 -2.48 0.00 0.00 0.70 0.00 0.00 55.95 54.38 1whg s SER 108 Cb 0.11 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1whg s SER 108 CO -0.12 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1whg n GLY 109 N 4.55 0.78 3.64 9.45 0.00 -1.26 -5.04 105.19 117.32 1whg n GLY 109 Ca 0.20 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1whg n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whg s PRO 110 N -1.60 3.97 -0.08 1.61 0.04 -1.26 -5.00 135.00 132.67 1whg s PRO 110 Ca 0.00 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1whg s PRO 110 Cb 0.00 -3.96 0.01 0.00 0.04 0.00 0.00 34.50 30.60 1whg s PRO 110 CO 0.00 -1.07 -0.13 -1.54 0.04 0.00 0.00 177.00 174.30 1whg s SER 111 N 3.47 2.03 -0.87 6.66 1.04 -1.26 -5.06 113.70 119.71 1whg s SER 111 Ca 0.67 -0.34 -0.25 0.00 0.48 0.00 0.00 55.95 56.51 1whg s SER 111 Cb -0.25 -0.91 -0.09 0.00 0.10 0.00 0.00 66.02 64.86 1whg s SER 111 CO 0.26 0.02 2.14 -0.44 0.98 0.00 0.00 173.24 176.20 1whg s SER 112 N 0.84 4.59 0.00 7.02 0.01 -1.26 -5.27 113.70 119.63 1whg s SER 112 Ca -0.11 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1whg s SER 112 Cb -0.15 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1whg s SER 112 CO 0.01 -3.26 0.00 0.61 0.41 0.00 0.00 173.24 171.02