#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whg s SER 2 N 0.00 6.63 -0.13 1.61 1.04 -1.26 -4.99 113.70 116.60 1whg s SER 2 Ca 0.00 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.21 1whg s SER 2 Cb 0.00 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 1whg s SER 2 CO 0.00 -0.58 -0.14 -1.20 0.98 0.00 0.00 173.24 172.31 1whg n SER 3 N -0.84 2.22 -0.21 7.02 7.64 -1.26 -5.13 113.62 123.05 1whg n SER 3 Ca 0.08 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1whg n SER 3 Cb 0.53 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1whg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whg n GLY 4 N 2.60 -1.73 2.73 0.23 0.00 -1.26 -5.09 105.19 102.67 1whg n GLY 4 Ca -0.24 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 1whg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whg s SER 5 N -0.22 1.03 0.97 1.61 0.15 -1.26 -5.11 113.70 110.87 1whg s SER 5 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1whg s SER 5 Cb 0.00 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1whg s SER 5 CO 0.00 -0.25 0.00 -0.24 1.20 0.00 0.00 173.24 173.95 1whg n SER 6 N 5.31 -5.81 0.00 5.45 2.88 -1.26 -5.06 113.62 115.13 1whg n SER 6 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1whg n SER 6 Cb 0.50 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1whg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whg n GLY 7 N -0.00 0.45 1.71 0.46 0.00 -1.26 -4.90 105.19 101.65 1whg n GLY 7 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 1whg n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whg n ASN 8 N 0.00 3.66 -0.58 1.61 5.15 -1.26 -4.45 115.26 119.39 1whg n ASN 8 Ca 0.00 -3.74 0.07 0.00 -0.60 0.00 0.00 54.58 50.31 1whg n ASN 8 Cb 0.00 -0.72 0.20 0.00 -0.53 0.00 0.00 39.78 38.73 1whg n ASN 8 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1whg n GLU 9 N -1.08 1.94 -0.73 1.20 1.02 -1.26 -4.55 120.64 117.19 1whg n GLU 9 Ca 0.46 -2.85 -0.00 0.00 -0.02 0.00 0.00 57.16 54.75 1whg n GLU 9 Cb 1.19 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.93 1whg n GLU 9 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1whg n GLU 10 N -1.05 0.00 0.00 3.49 1.02 -1.26 -4.92 120.64 117.92 1whg n GLU 10 Ca 0.21 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1whg n GLU 10 Cb 0.79 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 32.11 1whg n GLU 10 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1whg n LEU 11 N 0.08 1.32 -0.02 -4.62 7.94 -1.26 -4.55 117.00 115.88 1whg n LEU 11 Ca -0.03 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.06 1whg n LEU 11 Cb 0.70 0.00 0.66 0.00 0.53 0.00 0.00 43.42 45.30 1whg n LEU 11 CO -0.03 0.17 1.19 0.03 -1.11 0.00 0.00 177.39 177.64 1whg h ARG 12 N 0.00 0.07 0.01 1.96 3.08 -1.91 0.37 114.38 117.97 1whg h ARG 12 Ca 0.00 -0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1whg h ARG 12 Cb 0.59 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1whg h ARG 12 CO 0.00 0.05 -1.30 0.00 -1.07 0.00 0.00 179.97 177.65 1whg h ALA 13 N 1.72 0.48 0.00 0.04 0.00 -1.93 -3.30 119.26 116.28 1whg h ALA 13 Ca 0.27 -1.12 -0.06 0.00 0.00 0.00 0.00 54.91 53.99 1whg h ALA 13 Cb 0.96 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1whg h ALA 13 CO -0.02 1.35 -0.30 0.37 0.00 0.00 0.00 179.25 180.65 1whg h GLN 14 N 0.01 0.00 -1.14 0.00 -0.00 -1.19 -2.79 115.11 110.00 1whg h GLN 14 Ca -0.13 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.96 1whg h GLN 14 Cb 1.88 0.00 -0.25 0.00 0.00 0.00 0.00 27.48 29.11 1whg h GLN 14 CO 0.12 0.30 0.72 1.04 0.00 0.00 0.00 178.83 181.01 1whg n GLN 15 N -3.98 2.39 -0.05 1.69 6.02 -0.76 -3.77 117.38 118.92 1whg n GLN 15 Ca -0.02 -2.76 -0.06 0.00 -0.01 0.00 0.00 57.00 54.16 1whg n GLN 15 Cb 0.36 -2.08 -0.07 0.00 1.02 0.00 0.00 30.24 29.47 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 -0.59 1.83 -0.04 -1.09 1.02 -1.05 -4.50 120.64 116.21 1whg n GLU 16 Ca 0.53 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.63 1whg n GLU 16 Cb 0.73 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.88 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 -2.49 1.81 0.15 0.62 0.00 -1.26 -4.53 120.51 114.80 1whg n ALA 17 Ca -0.17 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 52.92 1whg n ALA 17 Cb 0.77 0.30 0.39 0.00 0.00 0.00 0.00 19.45 20.90 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 0.16 -1.04 0.00 4.39 -1.88 -2.49 114.58 113.71 1whg h GLU 18 Ca -0.20 -0.04 -0.54 0.00 0.34 0.00 0.00 59.36 58.93 1whg h GLU 18 Cb 1.30 -0.02 -0.27 0.00 -0.10 0.00 0.00 28.75 29.66 1whg h GLU 18 CO -0.03 0.37 0.69 0.00 -1.16 0.00 0.00 179.01 178.87 1whg n ALA 19 N -2.49 5.68 -0.05 3.43 0.00 -1.26 -4.19 120.51 121.63 1whg n ALA 19 Ca -0.01 -2.86 -0.06 0.00 0.00 0.00 0.00 53.44 50.50 1whg n ALA 19 Cb 0.31 -1.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.86 1.75 0.10 0.00 0.00 -0.94 -4.18 120.51 116.38 1whg n ALA 20 Ca 0.56 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1whg n ALA 20 Cb 1.15 0.10 -0.15 0.00 0.00 0.00 0.00 19.45 20.55 1whg n ALA 20 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whg h GLN 21 N 0.00 0.42 -0.08 0.00 7.50 -1.73 -3.22 115.11 118.01 1whg h GLN 21 Ca -0.27 -0.73 -0.11 0.00 0.50 0.00 0.00 58.65 58.04 1whg h GLN 21 Cb 1.55 0.27 -0.01 0.00 0.05 0.00 0.00 27.48 29.34 1whg h GLN 21 CO -0.00 1.35 -0.44 0.00 -1.50 0.00 0.00 178.83 178.23 1whg h ARG 22 N -0.07 0.17 -1.04 1.46 2.47 -1.83 -2.90 114.38 112.64 1whg h ARG 22 Ca -0.23 -0.09 -0.55 0.00 -1.26 0.00 0.00 59.98 57.85 1whg h ARG 22 Cb 1.95 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 30.00 1whg h ARG 22 CO 0.21 0.59 0.71 -0.11 0.56 0.00 0.00 179.97 181.92 1whg n LEU 23 N -4.00 6.98 -0.01 3.04 7.94 -1.25 -4.34 117.00 125.36 1whg n LEU 23 Ca -0.02 -3.78 -0.09 0.00 -1.11 0.00 0.00 56.01 51.01 1whg n LEU 23 Cb 0.49 -0.90 -0.14 0.00 0.53 0.00 0.00 43.42 43.40 1whg n LEU 23 CO 0.41 1.22 -0.41 0.28 -1.11 0.00 0.00 177.39 177.78 1whg h SER 24 N 1.41 0.01 -0.49 1.96 0.02 -1.52 -3.30 113.55 111.65 1whg h SER 24 Ca 0.57 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.49 1whg h SER 24 Cb 1.79 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 1whg h SER 24 CO 1.24 1.02 0.26 -0.08 -1.14 0.00 0.00 176.83 178.14 1whg h GLU 25 N 0.00 0.68 -0.74 3.45 4.81 -1.82 -2.00 114.58 118.98 1whg h GLU 25 Ca -0.24 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1whg h GLU 25 Cb 1.97 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.19 1whg h GLU 25 CO 0.09 0.54 0.25 0.93 -0.73 0.00 0.00 179.01 180.09 1whg h GLU 26 N 0.65 1.13 -0.56 1.92 5.08 -1.89 -2.59 114.58 118.32 1whg h GLU 26 Ca 0.17 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1whg h GLU 26 Cb 0.06 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1whg h GLU 26 CO -0.03 0.96 0.28 -0.22 -1.00 0.00 0.00 179.01 179.00 1whg h LYS 27 N 1.08 0.78 -0.32 2.33 3.64 -1.56 0.33 116.57 122.85 1whg h LYS 27 Ca 0.24 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1whg h LYS 27 Cb 0.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1whg h LYS 27 CO -0.01 0.60 0.02 0.00 -2.27 0.00 0.00 179.45 177.79 1whg h ALA 28 N 1.52 1.44 0.12 5.00 0.00 -0.97 0.12 119.26 126.50 1whg h ALA 28 Ca 0.20 -0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 1whg h ALA 28 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1whg h ALA 28 CO -0.03 0.40 -1.71 1.96 0.00 0.00 0.00 179.25 179.87 1whg h GLN 29 N 0.47 0.26 0.00 0.00 4.20 -1.22 -3.34 115.11 115.48 1whg h GLN 29 Ca 0.11 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 1whg h GLN 29 Cb 0.27 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1whg h GLN 29 CO 0.01 1.12 -0.34 0.00 -0.67 0.00 0.00 178.83 178.94 1whg h ALA 30 N 0.36 1.12 -0.88 3.87 0.00 -0.20 -2.84 119.26 120.70 1whg h ALA 30 Ca -0.31 -0.31 -0.50 0.00 0.00 0.00 0.00 54.91 53.79 1whg h ALA 30 Cb 2.04 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 19.51 1whg h ALA 30 CO 0.14 0.42 0.63 0.45 0.00 0.00 0.00 179.25 180.89 1whg n SER 31 N -3.67 4.70 0.00 0.00 2.88 0.42 -4.26 113.62 113.68 1whg n SER 31 Ca -0.01 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 54.06 1whg n SER 31 Cb 0.44 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1whg n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whg n ALA 32 N -0.86 2.52 -2.16 -1.46 0.00 -1.08 -4.99 120.51 112.49 1whg n ALA 32 Ca 0.53 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.55 1whg n ALA 32 Cb 1.29 0.14 -0.02 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 -1.66 3.78 0.27 0.00 1.01 -1.17 -4.99 121.20 118.44 1whg s ILE 33 Ca 0.00 0.89 -0.21 0.00 0.00 0.00 0.00 60.65 61.33 1whg s ILE 33 Cb 0.00 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1whg s ILE 33 CO 0.00 -0.26 0.80 -0.94 0.00 0.00 0.00 174.94 174.54 1whg s SER 34 N 3.74 7.12 0.20 3.58 1.04 -1.26 -4.98 113.70 123.14 1whg s SER 34 Ca 0.69 1.55 -0.30 0.00 0.48 0.00 0.00 55.95 58.37 1whg s SER 34 Cb -0.25 -2.47 -0.08 0.00 0.10 0.00 0.00 66.02 63.32 1whg s SER 34 CO 0.27 -0.03 1.03 -0.69 0.98 0.00 0.00 173.24 174.80 1whg s VAL 35 N -1.61 3.95 0.00 5.02 1.01 -1.26 -3.90 120.40 123.61 1whg s VAL 35 Ca 0.47 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.24 1whg s VAL 35 Cb -0.16 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1whg s VAL 35 CO 0.21 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1whg n GLY 36 N 1.77 1.56 3.09 4.51 0.00 -0.30 -5.01 105.19 110.81 1whg n GLY 36 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.13 1.16 0.18 1.61 0.01 -1.25 -4.95 113.70 108.33 1whg s SER 37 Ca 0.00 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1whg s SER 37 Cb 0.00 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 1whg s SER 37 CO 0.00 -0.10 0.98 -0.13 0.41 0.00 0.00 173.24 174.40 1whg s ARG 38 N -1.38 4.75 0.36 12.44 3.00 -1.26 -2.06 118.95 134.79 1whg s ARG 38 Ca -0.05 1.52 -0.00 0.00 0.00 0.00 0.00 55.73 57.20 1whg s ARG 38 Cb -0.09 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.55 1whg s ARG 38 CO 0.01 0.32 0.46 0.00 0.00 0.00 0.00 175.30 176.09 1whg s GLU 40 N -2.93 3.10 -0.02 0.00 8.01 0.21 -1.74 118.70 125.33 1whg s GLU 40 Ca 0.32 -0.96 -0.00 0.00 0.01 0.00 0.00 54.97 54.34 1whg s GLU 40 Cb -0.00 -2.67 0.03 0.00 -4.31 0.00 0.00 34.13 27.17 1whg s GLU 40 CO 0.23 0.41 0.04 0.08 0.01 0.00 0.00 175.26 176.03 1whg s VAL 41 N -2.08 -0.05 -0.32 2.63 1.01 -0.27 -1.79 120.40 119.51 1whg s VAL 41 Ca 0.33 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1whg s VAL 41 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1whg s VAL 41 CO 0.26 0.08 0.11 -0.13 0.00 0.00 0.00 175.10 175.42 1whg s ARG 42 N 0.99 2.86 0.01 2.72 0.52 -0.99 -2.29 118.95 122.79 1whg s ARG 42 Ca -0.08 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1whg s ARG 42 Cb -0.12 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 1whg s ARG 42 CO -0.03 -0.57 -0.06 0.00 0.02 0.00 0.00 175.30 174.66 1whg s ALA 43 N 1.47 0.51 -1.63 2.13 0.00 -1.26 -4.96 121.76 118.02 1whg s ALA 43 Ca 0.01 -0.43 0.25 0.00 0.00 0.00 0.00 51.96 51.79 1whg s ALA 43 Cb -0.18 -0.06 1.35 0.00 0.00 0.00 0.00 23.12 24.22 1whg s ALA 43 CO 0.03 0.07 1.85 -0.35 0.00 0.00 0.00 175.76 177.36 1whg n PRO 44 N 2.41 0.51 -0.14 0.00 -0.04 -1.26 -3.61 135.00 132.87 1whg n PRO 44 Ca -0.16 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1whg n PRO 44 Cb 0.57 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.53 0.00 3.54 5.19 -2.03 -3.44 116.42 120.21 1whg h ASP 45 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1whg h ASP 45 Cb 0.15 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1whg h ASP 45 CO 0.00 0.33 0.00 1.57 -3.12 0.00 0.00 179.24 178.02 1whg n HIS 46 N -4.48 -1.15 -3.70 4.55 -0.00 -1.24 -5.18 115.22 104.02 1whg n HIS 46 Ca 0.10 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.20 1whg n HIS 46 Cb 0.30 0.23 0.02 0.00 -0.12 0.00 0.00 29.99 30.42 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 -1.72 -1.82 -4.75 0.26 3.41 -1.25 -5.04 113.62 102.71 1whg n SER 47 Ca 0.00 -2.36 -0.35 0.00 -0.26 0.00 0.00 58.87 55.89 1whg n SER 47 Cb 0.00 3.06 0.05 0.00 -0.26 0.00 0.00 64.21 67.06 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 3.57 0.01 1.04 1.43 -1.26 -4.42 118.68 119.05 1whg s LEU 48 Ca 0.15 2.33 -0.15 0.00 -1.03 0.00 0.00 54.13 55.43 1whg s LEU 48 Cb -0.04 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.61 1whg s LEU 48 CO 0.11 -1.72 0.31 -0.13 0.23 0.00 0.00 176.35 175.16 1whg s ARG 49 N -3.53 0.75 -0.13 1.70 0.52 -0.97 -4.99 118.95 112.30 1whg s ARG 49 Ca 0.75 -0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 55.55 1whg s ARG 49 Cb -0.29 0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 1whg s ARG 49 CO 0.36 -0.22 0.12 1.03 0.02 0.00 0.00 175.30 176.61 1whg s ARG 50 N -1.94 3.54 0.00 3.54 1.81 -1.26 -1.12 118.95 123.52 1whg s ARG 50 Ca -0.09 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.74 1whg s ARG 50 Cb -0.03 -3.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.28 1whg s ARG 50 CO 0.01 0.68 0.00 0.41 -0.68 0.00 0.00 175.30 175.71 1whg n GLY 51 N 2.29 5.16 3.42 -3.53 0.00 -0.71 -4.04 105.19 107.78 1whg n GLY 51 Ca -0.19 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1whg n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whg s THR 52 N 1.13 -0.01 0.17 2.61 2.01 -0.69 -2.71 115.64 118.14 1whg s THR 52 Ca 0.00 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 1whg s THR 52 Cb 0.00 -0.75 -0.10 0.00 0.01 0.00 0.00 72.50 71.66 1whg s THR 52 CO 0.00 0.02 1.52 -0.69 -0.69 0.00 0.00 174.62 174.78 1whg s VAL 53 N 1.16 2.73 -0.01 3.82 1.01 -0.88 -2.16 120.40 126.08 1whg s VAL 53 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1whg s VAL 53 Cb -0.06 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1whg s VAL 53 CO -0.11 0.05 -0.01 0.23 0.00 0.00 0.00 175.10 175.26 1whg n MET 54 N 3.73 0.02 -3.79 2.72 2.81 0.13 -1.15 117.12 121.59 1whg n MET 54 Ca 0.12 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.88 1whg n MET 54 Cb 0.39 -1.01 -0.14 0.00 -0.71 0.00 0.00 33.22 31.75 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 -2.02 -0.08 -0.10 2.03 6.14 -1.24 -4.90 117.35 117.18 1whg s TYR 55 Ca -0.01 0.29 -0.00 0.00 0.64 0.00 0.00 57.07 57.99 1whg s TYR 55 Cb 0.00 -0.09 0.02 0.00 0.42 0.00 0.00 41.96 42.32 1whg s TYR 55 CO 0.02 -0.10 -0.07 0.08 0.64 0.00 0.00 175.55 176.12 1whg s VAL 56 N 0.78 0.92 -4.52 3.14 1.01 -1.26 0.50 120.40 120.97 1whg s VAL 56 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1whg s VAL 56 Cb -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1whg s VAL 56 CO -0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1whg n GLY 57 N 4.87 -0.79 3.85 4.51 0.00 -0.49 -4.99 105.19 112.15 1whg n GLY 57 Ca -0.13 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 4.33 0.00 0.99 1.43 -1.26 0.73 118.68 124.90 1whg s LEU 58 Ca 0.00 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1whg s LEU 58 Cb 0.00 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1whg s LEU 58 CO 0.00 0.10 0.07 0.35 0.23 0.00 0.00 176.35 177.10 1whg n THR 59 N 0.74 0.00 -0.03 5.49 -2.24 -1.26 -4.94 114.28 112.06 1whg n THR 59 Ca -0.05 -0.55 -0.03 0.00 -2.27 0.00 0.00 64.05 61.15 1whg n THR 59 Cb 0.52 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 1whg n THR 59 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whg n ASP 60 N -1.74 3.68 0.24 3.42 2.03 -1.26 -4.63 116.55 118.28 1whg n ASP 60 Ca -0.02 -0.02 0.10 0.00 0.52 0.00 0.00 54.79 55.37 1whg n ASP 60 Cb 0.16 0.08 0.66 0.00 -0.72 0.00 0.00 41.12 41.29 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 0.00 -2.71 -0.67 -0.00 -1.95 -3.42 116.94 108.19 1whg h PHE 61 Ca -0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.73 1whg h PHE 61 Cb 1.20 0.00 -0.26 0.00 -0.00 0.00 0.00 35.95 36.89 1whg h PHE 61 CO 0.00 0.00 -0.29 0.21 -0.00 0.00 0.00 178.31 178.23 1whg s LYS 62 N -5.04 0.41 0.10 6.09 2.36 -1.26 -5.16 119.74 117.24 1whg s LYS 62 Ca -0.05 0.69 -0.01 0.00 -2.55 0.00 0.00 55.97 54.04 1whg s LYS 62 Cb 0.17 0.06 0.02 0.00 -1.05 0.00 0.00 37.83 37.04 1whg s LYS 62 CO 0.67 -0.12 0.05 -2.30 1.55 0.00 0.00 175.35 175.20 1whg n PRO 63 N 3.76 -1.07 -1.46 4.03 -0.02 -1.26 -4.27 135.00 134.71 1whg n PRO 63 Ca -0.20 -0.09 0.18 0.00 -2.02 0.00 0.00 63.50 61.37 1whg n PRO 63 Cb 0.56 -0.14 -0.08 0.00 -0.02 0.00 0.00 33.50 33.82 1whg n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1whg n GLY 64 N -0.28 -3.03 3.62 -1.23 0.00 -1.26 -4.78 105.19 98.22 1whg n GLY 64 Ca 0.01 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.90 1.01 -0.00 1.61 1.51 -1.26 -4.01 117.35 112.31 1whg s TYR 65 Ca 0.00 0.65 -0.25 0.00 -1.01 0.00 0.00 57.07 56.47 1whg s TYR 65 Cb 0.00 -3.39 0.06 0.00 -0.11 0.00 0.00 41.96 38.52 1whg s TYR 65 CO 0.00 -3.59 0.55 -1.58 -1.11 0.00 0.00 175.55 169.83 1whg s TRP 66 N -2.98 -0.49 -0.31 2.71 0.52 0.22 -4.85 118.94 113.77 1whg s TRP 66 Ca 0.69 0.72 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 1whg s TRP 66 Cb -0.13 0.33 0.10 0.00 -1.15 0.00 0.00 33.47 32.63 1whg s TRP 66 CO 0.57 -0.59 0.10 0.08 0.02 0.00 0.00 176.95 177.13 1whg s VAL 67 N -1.74 0.82 0.01 4.03 1.01 0.10 -1.40 120.40 123.24 1whg s VAL 67 Ca -0.09 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 1whg s VAL 67 Cb -0.01 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1whg s VAL 67 CO 0.04 -0.68 1.89 -0.83 0.00 0.00 0.00 175.10 175.52 1whg s GLY 68 N 1.65 1.47 -0.10 4.51 0.00 0.18 -3.25 107.32 111.78 1whg s GLY 68 Ca 0.10 1.23 0.01 0.00 0.00 0.00 0.00 44.72 46.06 1whg s GLY 68 CO -0.26 3.36 -0.12 0.14 0.00 0.00 0.00 173.10 176.23 1whg s VAL 69 N 4.34 1.23 -0.14 1.40 1.01 -0.02 0.20 120.40 128.42 1whg s VAL 69 Ca 0.85 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 1whg s VAL 69 Cb -0.40 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1whg s VAL 69 CO 0.38 0.39 0.14 -0.60 0.00 0.00 0.00 175.10 175.41 1whg s ARG 70 N 1.19 3.60 0.12 2.72 3.52 -0.92 -0.82 118.95 128.36 1whg s ARG 70 Ca -0.04 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1whg s ARG 70 Cb -0.14 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1whg s ARG 70 CO -0.03 0.68 0.29 0.71 -0.81 0.00 0.00 175.30 176.14 1whg s TYR 71 N -0.73 3.50 0.13 5.12 2.02 -0.60 -1.70 117.35 125.09 1whg s TYR 71 Ca 0.13 0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 57.06 1whg s TYR 71 Cb -0.12 -1.82 -0.08 0.00 -0.40 0.00 0.00 41.96 39.55 1whg s TYR 71 CO 0.03 0.50 1.37 0.22 -1.57 0.00 0.00 175.55 176.10 1whg h ASP 72 N 2.68 0.86 -3.49 2.29 1.82 -1.90 -3.45 116.42 115.22 1whg h ASP 72 Ca -0.46 -0.52 -0.51 0.00 -0.39 0.00 0.00 57.03 55.14 1whg h ASP 72 Cb 1.17 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 1whg h ASP 72 CO 0.73 1.30 -0.02 -1.61 -1.61 0.00 0.00 179.24 178.03 1whg s GLU 73 N -3.86 3.78 -1.18 0.28 8.01 -1.26 -4.97 118.70 119.49 1whg s GLU 73 Ca -0.09 0.31 -0.22 0.00 0.01 0.00 0.00 54.97 54.98 1whg s GLU 73 Cb 0.10 -2.54 -0.09 0.00 -4.31 0.00 0.00 34.13 27.29 1whg s GLU 73 CO 0.89 0.16 1.93 -0.35 0.01 0.00 0.00 175.26 177.89 1whg n PRO 74 N -0.74 1.67 -1.53 0.39 -0.04 -1.26 -4.40 135.00 129.08 1whg n PRO 74 Ca 0.01 -2.48 0.01 0.00 -0.04 0.00 0.00 63.50 60.99 1whg n PRO 74 Cb 0.53 -3.69 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 1whg n PRO 74 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1whg n LEU 75 N 13.87 0.44 0.00 1.53 4.77 -1.10 -5.00 117.00 131.51 1whg n LEU 75 Ca 0.45 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1whg n LEU 75 Cb 0.46 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1whg n LEU 75 CO 0.70 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 1whg n GLY 76 N 0.20 -0.17 1.52 -0.72 0.00 -0.19 -4.88 105.19 100.95 1whg n GLY 76 Ca -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.68 0.00 -2.68 1.61 4.76 -1.25 -4.60 118.16 115.33 1whg n LYS 77 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1whg n LYS 77 Cb 0.00 -0.12 0.06 0.00 -1.84 0.00 0.00 35.03 33.13 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 -4.51 5.03 -0.11 4.39 0.01 -0.53 -4.50 114.94 114.72 1whg s ASN 78 Ca 0.00 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 1whg s ASN 78 Cb 0.00 -0.54 -0.08 0.00 0.41 0.00 0.00 41.25 41.04 1whg s ASN 78 CO 0.00 -1.33 -0.09 -0.90 -1.51 0.00 0.00 177.10 173.27 1whg n ASP 79 N -2.44 3.07 0.00 -1.22 5.75 -1.26 -3.20 116.55 117.26 1whg n ASP 79 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1whg n ASP 79 Cb 0.60 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1whg n GLY 80 N 2.90 2.62 3.42 6.12 0.00 -1.26 -4.21 105.19 114.78 1whg n GLY 80 Ca -0.20 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1whg n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whg s SER 81 N 0.00 5.08 -0.06 1.61 0.15 -1.26 -1.73 113.70 117.50 1whg s SER 81 Ca 0.00 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1whg s SER 81 Cb 0.00 -1.91 0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1whg s SER 81 CO 0.00 -0.06 -0.11 -0.69 1.20 0.00 0.00 173.24 173.58 1whg s VAL 82 N 1.59 1.00 -1.56 4.45 1.01 -0.70 -4.76 120.40 121.42 1whg s VAL 82 Ca 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1whg s VAL 82 Cb -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1whg s VAL 82 CO 0.03 0.32 0.47 0.59 0.00 0.00 0.00 175.10 176.51 1whg n ASN 83 N 3.76 -5.98 -1.18 3.32 5.03 -1.26 -1.70 115.26 117.26 1whg n ASN 83 Ca -0.23 -0.22 -0.10 0.00 0.87 0.00 0.00 54.58 54.90 1whg n ASN 83 Cb 0.52 -4.83 -0.01 0.00 -1.02 0.00 0.00 39.78 34.44 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 -1.41 -0.04 2.69 7.41 0.00 -1.26 -5.01 105.19 107.57 1whg n GLY 84 Ca -0.14 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.50 0.48 0.26 1.61 2.20 -0.69 -5.13 119.74 113.98 1whg s LYS 85 Ca 0.00 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 54.96 1whg s LYS 85 Cb 0.00 -1.98 -0.09 0.00 -1.51 0.00 0.00 37.83 34.24 1whg s LYS 85 CO 0.00 -0.69 0.92 0.50 -0.36 0.00 0.00 175.35 175.72 1whg s ARG 86 N 1.93 4.71 -0.04 4.03 3.52 -1.26 -1.73 118.95 130.12 1whg s ARG 86 Ca 0.01 1.38 -0.01 0.00 -0.13 0.00 0.00 55.73 56.98 1whg s ARG 86 Cb -0.17 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1whg s ARG 86 CO -0.11 0.43 -0.05 0.66 -0.81 0.00 0.00 175.30 175.43 1whg n TYR 87 N 1.12 0.00 -4.22 5.12 4.02 -0.70 -4.98 117.16 117.52 1whg n TYR 87 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1whg n TYR 87 Cb 0.48 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.55 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 -2.08 1.34 -0.68 -0.72 -0.12 -1.26 -4.73 117.98 109.73 1whg s PHE 88 Ca -0.06 -1.46 -0.04 0.00 -0.05 0.00 0.00 56.93 55.32 1whg s PHE 88 Cb 0.02 -0.58 0.17 0.00 -0.63 0.00 0.00 43.02 42.00 1whg s PHE 88 CO 0.08 -0.74 0.51 -1.21 -0.05 0.00 0.00 175.22 173.82 1whg s GLU 89 N -3.89 2.75 0.24 1.99 2.02 -1.26 -4.74 118.70 115.82 1whg s GLU 89 Ca 0.39 -2.63 -0.06 0.00 0.02 0.00 0.00 54.97 52.69 1whg s GLU 89 Cb 0.05 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 1whg s GLU 89 CO 0.18 -1.20 0.33 0.00 0.02 0.00 0.00 175.26 174.59 1whg s GLN 91 N -3.92 1.61 0.69 0.00 -0.21 -1.26 -4.69 119.66 111.88 1whg s GLN 91 Ca 0.31 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 1whg s GLN 91 Cb 0.03 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1whg s GLN 91 CO 0.13 -1.64 1.07 0.00 -2.12 0.00 0.00 175.29 172.73 1whg s ALA 92 N -3.41 2.89 -1.74 6.09 0.00 -1.26 -3.85 121.76 120.47 1whg s ALA 92 Ca 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1whg s ALA 92 Cb -0.07 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1whg s ALA 92 CO 0.47 -1.06 0.11 1.63 0.00 0.00 0.00 175.76 176.91 1whg n LYS 93 N -2.97 -2.23 0.05 0.00 4.01 -1.19 -4.75 118.16 111.07 1whg n LYS 93 Ca 0.07 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.86 1whg n LYS 93 Cb 0.56 -5.68 0.00 0.00 -0.51 0.00 0.00 35.03 29.40 1whg n LYS 93 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1whg n TYR 94 N -4.11 -1.06 -2.94 2.13 4.01 -1.25 -1.03 117.16 112.91 1whg n TYR 94 Ca -0.22 0.19 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 1whg n TYR 94 Cb 0.68 0.60 -0.04 0.00 -0.31 0.00 0.00 39.34 40.26 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 -4.85 2.38 0.18 2.72 0.00 -1.23 -1.55 107.32 104.96 1whg s GLY 95 Ca 0.00 0.10 0.10 0.00 0.00 0.00 0.00 44.72 44.92 1whg s GLY 95 CO 0.00 1.46 -0.21 0.00 0.00 0.00 0.00 173.10 174.35 1whg s ALA 96 N 1.51 2.29 -0.30 3.20 0.00 0.00 -1.45 121.76 127.01 1whg s ALA 96 Ca 0.39 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 1whg s ALA 96 Cb -0.17 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1whg s ALA 96 CO 0.16 0.33 0.07 -0.06 0.00 0.00 0.00 175.76 176.26 1whg s PHE 97 N -1.87 3.17 0.49 0.00 0.08 -1.26 -0.84 117.98 117.75 1whg s PHE 97 Ca 0.19 -1.16 0.01 0.00 0.12 0.00 0.00 56.93 56.09 1whg s PHE 97 Cb -0.07 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1whg s PHE 97 CO 0.09 -0.63 0.04 0.14 -0.10 0.00 0.00 175.22 174.76 1whg s VAL 98 N 1.45 0.88 0.05 -0.44 -7.23 -1.20 -4.96 120.40 108.96 1whg s VAL 98 Ca 0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1whg s VAL 98 Cb -0.18 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1whg s VAL 98 CO 0.02 0.00 0.12 -0.54 -0.31 0.00 0.00 175.10 174.39 1whg s LYS 99 N -3.83 3.10 0.19 4.82 -0.14 -1.26 -0.72 119.74 121.91 1whg s LYS 99 Ca 0.08 -0.56 -0.19 0.00 -1.36 0.00 0.00 55.97 53.93 1whg s LYS 99 Cb 0.01 -2.86 0.15 0.00 -1.68 0.00 0.00 37.83 33.45 1whg s LYS 99 CO 0.05 0.60 1.59 -1.35 -0.76 0.00 0.00 175.35 175.48 1whg h PRO 100 N 3.40 -0.13 -0.13 -1.68 0.11 -1.88 1.59 132.00 133.28 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 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.68 -0.09 0.21 1.03 -0.21 0.00 0.00 178.00 179.63 1whg h SER 101 N -0.14 0.00 0.48 -2.05 0.87 -1.94 0.79 113.55 111.58 1whg h SER 101 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1whg h SER 101 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1whg h SER 101 CO -0.68 0.00 -0.77 0.00 -0.53 0.00 0.00 176.83 174.86 1whg n ALA 102 N -2.20 3.51 -3.34 6.23 0.00 0.50 -4.74 120.51 120.47 1whg n ALA 102 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1whg n ALA 102 Cb 0.31 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.10 4.26 -0.35 0.00 1.01 0.28 -2.34 120.40 120.16 1whg s VAL 103 Ca 0.07 -1.49 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 1whg s VAL 103 Cb 0.15 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1whg s VAL 103 CO 0.76 -0.58 0.58 -0.89 0.00 0.00 0.00 175.10 174.97 1whg s THR 104 N 1.42 4.95 0.30 3.92 2.01 -0.74 -4.84 115.64 122.65 1whg s THR 104 Ca 0.04 0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 1whg s THR 104 Cb -0.24 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 1whg s THR 104 CO 0.01 -0.26 1.22 -0.69 -0.69 0.00 0.00 174.62 174.22 1whg s VAL 105 N 2.57 3.05 -0.20 3.82 1.01 -1.26 0.66 120.40 130.05 1whg s VAL 105 Ca 0.22 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1whg s VAL 105 Cb -0.15 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 1whg s VAL 105 CO 0.14 0.24 -0.18 0.61 0.00 0.00 0.00 175.10 175.91 1whg n GLY 106 N 1.05 -0.28 2.96 4.51 0.00 -1.21 -4.88 105.19 107.35 1whg n GLY 106 Ca -0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.97 3.69 0.57 1.61 -1.08 -1.25 -5.11 116.67 109.13 1whg s ASP 107 Ca -0.27 -1.07 -0.20 0.00 -0.52 0.00 0.00 52.55 50.49 1whg s ASP 107 Cb 0.07 -1.21 -0.04 0.00 -1.46 0.00 0.00 42.92 40.28 1whg s ASP 107 CO 0.46 -0.20 1.23 -0.44 0.52 0.00 0.00 175.17 176.73 1whg s SER 108 N 1.39 5.32 0.00 -0.34 0.01 -1.26 -4.81 113.70 114.00 1whg s SER 108 Ca -0.04 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1whg s SER 108 Cb -0.18 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1whg s SER 108 CO -0.07 -1.51 0.21 0.61 0.41 0.00 0.00 173.24 172.89 1whg n GLY 109 N 0.55 -1.09 3.65 3.44 0.00 -1.26 -4.71 105.19 105.77 1whg n GLY 109 Ca 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.63 1whg n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whg n PRO 110 N -0.34 1.66 -3.68 1.61 -0.02 -1.26 -4.94 135.00 128.02 1whg n PRO 110 Ca 0.00 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.91 1whg n PRO 110 Cb 0.00 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 1whg n PRO 110 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whg n SER 111 N 6.95 -0.38 -3.34 2.55 2.88 -1.26 -5.15 113.62 115.87 1whg n SER 111 Ca 0.27 -2.64 -0.13 0.00 -1.33 0.00 0.00 58.87 55.04 1whg n SER 111 Cb 0.23 1.21 -0.07 0.00 -0.75 0.00 0.00 64.21 64.83 1whg n SER 111 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whg s SER 112 N -2.76 0.92 0.00 -3.46 1.04 -1.26 -5.27 113.70 102.91 1whg s SER 112 Ca 0.29 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1whg s SER 112 Cb 0.01 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1whg s SER 112 CO 0.20 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.68