#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 0.00 -0.00 1.61 7.64 -1.26 -4.96 113.62 116.65 1whg n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1whg n SER 2 Cb 0.00 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.15 1whg n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1whg h SER 3 N 0.00 0.05 0.00 6.43 0.02 -2.07 -3.49 113.55 114.49 1whg h SER 3 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1whg h SER 3 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1whg h SER 3 CO 0.00 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.38 1whg n GLY 4 N 1.56 2.44 0.10 -3.77 0.00 -1.26 -4.56 105.19 99.69 1whg n GLY 4 Ca -0.15 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1whg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whg n SER 5 N 2.90 0.65 -2.63 1.61 7.64 -1.26 -5.07 113.62 117.46 1whg n SER 5 Ca 0.00 0.12 -0.05 0.00 1.01 0.00 0.00 58.87 59.95 1whg n SER 5 Cb 0.00 0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1whg n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whg n SER 6 N -2.95 -1.65 -3.99 6.43 2.88 -1.26 -4.97 113.62 108.10 1whg n SER 6 Ca -0.30 1.37 -0.32 0.00 -1.33 0.00 0.00 58.87 58.29 1whg n SER 6 Cb 1.10 -5.28 -0.13 0.00 -0.75 0.00 0.00 64.21 59.16 1whg n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whg s GLY 7 N -0.83 2.50 -0.07 0.46 0.00 -1.26 -5.08 107.32 103.04 1whg s GLY 7 Ca -0.24 -3.32 -0.29 0.00 0.00 0.00 0.00 44.72 40.87 1whg s GLY 7 CO 0.80 1.04 0.99 -1.31 0.00 0.00 0.00 173.10 174.61 1whg s ASN 8 N -0.08 7.28 -0.18 1.64 -0.87 -1.26 -4.92 114.94 116.53 1whg s ASN 8 Ca 0.18 1.56 0.14 0.00 -1.57 0.00 0.00 52.86 53.17 1whg s ASN 8 Cb -0.23 -2.56 -0.21 0.00 -0.02 0.00 0.00 41.25 38.23 1whg s ASN 8 CO -0.02 -0.37 0.03 -0.62 -2.57 0.00 0.00 177.10 173.55 1whg n GLU 9 N 4.61 1.02 -0.03 -0.60 1.02 -1.26 -3.79 120.64 121.61 1whg n GLU 9 Ca 0.07 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1whg n GLU 9 Cb 0.50 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 1whg n GLU 9 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1whg h GLU 10 N 0.00 0.10 -0.02 3.49 3.07 -2.00 -3.12 114.58 116.10 1whg h GLU 10 Ca -0.49 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.20 1whg h GLU 10 Cb 2.07 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.97 1whg h GLU 10 CO 0.02 0.63 -0.50 1.25 -1.40 0.00 0.00 179.01 179.00 1whg h LEU 11 N -0.43 0.05 -1.56 1.33 5.85 -1.98 -1.48 115.31 117.11 1whg h LEU 11 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1whg h LEU 11 Cb 0.62 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1whg h LEU 11 CO 0.01 0.55 0.31 -0.09 -0.34 0.00 0.00 178.44 178.88 1whg h ARG 12 N 0.04 0.59 0.01 1.25 1.12 -1.65 0.22 114.38 115.96 1whg h ARG 12 Ca -0.00 -0.04 -0.30 0.00 -1.11 0.00 0.00 59.98 58.53 1whg h ARG 12 Cb 0.90 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 30.68 1whg h ARG 12 CO 0.07 0.39 -1.79 0.00 -3.11 0.00 0.00 179.97 175.53 1whg n ALA 13 N -2.47 1.46 0.13 2.80 0.00 -1.11 -3.99 120.51 117.33 1whg n ALA 13 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 53.44 52.66 1whg n ALA 13 Cb 0.07 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 18.90 1whg n ALA 13 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1whg h GLN 14 N 0.00 0.00 -1.00 0.00 5.75 -0.86 -3.04 115.11 115.96 1whg h GLN 14 Ca -0.32 0.00 -0.48 0.00 -0.15 0.00 0.00 58.65 57.71 1whg h GLN 14 Cb 2.04 0.00 -0.28 0.00 1.07 0.00 0.00 27.48 30.31 1whg h GLN 14 CO 0.07 0.63 0.61 1.04 -2.65 0.00 0.00 178.83 178.54 1whg n GLN 15 N -3.78 2.15 0.00 1.69 6.02 0.75 -1.88 117.38 122.33 1whg n GLN 15 Ca -0.01 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 1whg n GLN 15 Cb 0.63 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 -0.98 0.00 -0.04 -1.09 1.02 -1.15 -4.75 120.64 113.65 1whg n GLU 16 Ca 0.54 0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.69 1whg n GLU 16 Cb 1.53 -0.32 -0.06 0.00 -0.02 0.00 0.00 31.44 32.56 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 -1.85 1.83 -0.07 0.62 0.00 -1.26 -4.46 120.51 115.32 1whg n ALA 17 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1whg n ALA 17 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 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 0.43 -1.18 0.00 5.08 -1.83 -3.10 114.58 113.97 1whg h GLU 18 Ca -0.21 -0.18 -0.55 0.00 -1.00 0.00 0.00 59.36 57.42 1whg h GLU 18 Cb 1.44 -0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.44 1whg h GLU 18 CO 0.01 0.70 0.71 0.00 -1.00 0.00 0.00 179.01 179.44 1whg n ALA 19 N -2.39 5.90 0.00 3.43 0.00 -0.79 -0.96 120.51 125.71 1whg n ALA 19 Ca -0.05 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1whg n ALA 19 Cb 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.47 2.59 0.00 0.00 0.00 -1.18 -4.80 120.51 116.64 1whg n ALA 20 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1whg n ALA 20 Cb 0.64 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1whg n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1whg n GLN 21 N -2.36 0.00 0.18 0.00 6.02 -1.18 -4.39 117.38 115.65 1whg n GLN 21 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1whg n GLN 21 Cb 0.19 -0.46 0.50 0.00 1.02 0.00 0.00 30.24 31.49 1whg n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1whg h ARG 22 N 0.00 0.12 -0.49 -1.09 2.47 -1.66 -2.28 114.38 111.44 1whg h ARG 22 Ca 0.00 -0.02 -0.28 0.00 -1.26 0.00 0.00 59.98 58.42 1whg h ARG 22 Cb 0.90 -0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 29.03 1whg h ARG 22 CO 0.00 0.21 -0.01 -0.11 0.56 0.00 0.00 179.97 180.62 1whg n LEU 23 N -4.38 4.70 0.09 3.04 7.94 -0.13 -4.61 117.00 123.65 1whg n LEU 23 Ca -0.02 -3.89 -0.06 0.00 -1.11 0.00 0.00 56.01 50.93 1whg n LEU 23 Cb 0.19 -0.66 0.03 0.00 0.53 0.00 0.00 43.42 43.51 1whg n LEU 23 CO 0.36 1.34 0.31 0.77 -1.11 0.00 0.00 177.39 179.06 1whg h SER 24 N 1.16 0.14 -0.04 1.96 4.64 -1.61 -2.58 113.55 117.21 1whg h SER 24 Ca 0.30 -0.11 -0.24 0.00 -0.47 0.00 0.00 61.79 61.28 1whg h SER 24 Cb 1.73 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 63.80 1whg h SER 24 CO 0.57 0.89 -0.91 1.05 -0.87 0.00 0.00 176.83 177.56 1whg h GLU 25 N 0.06 0.69 -0.13 4.77 4.11 -1.81 -2.55 114.58 119.72 1whg h GLU 25 Ca -0.02 -0.69 -0.09 0.00 0.07 0.00 0.00 59.36 58.62 1whg h GLU 25 Cb 1.41 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1whg h GLU 25 CO 0.12 1.28 -0.34 0.93 0.07 0.00 0.00 179.01 181.07 1whg h GLU 26 N 0.37 0.27 -0.21 1.06 5.08 -1.88 -2.85 114.58 116.41 1whg h GLU 26 Ca -0.10 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 57.95 1whg h GLU 26 Cb 1.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1whg h GLU 26 CO 0.18 0.58 -0.67 -0.22 -1.00 0.00 0.00 179.01 177.88 1whg h LYS 27 N 0.23 0.80 -0.56 2.33 3.64 -1.47 -2.13 116.57 119.40 1whg h LYS 27 Ca 0.03 -0.58 0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1whg h LYS 27 Cb 0.71 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1whg h LYS 27 CO 0.05 1.20 0.36 0.00 -2.27 0.00 0.00 179.45 178.79 1whg h ALA 28 N 0.66 0.72 -0.03 5.00 0.00 -1.29 0.38 119.26 124.68 1whg h ALA 28 Ca -0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1whg h ALA 28 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1whg h ALA 28 CO 0.14 0.10 -0.58 1.96 0.00 0.00 0.00 179.25 180.87 1whg h GLN 29 N 0.71 0.10 0.00 0.00 4.20 -1.52 -2.96 115.11 115.65 1whg h GLN 29 Ca 0.21 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1whg h GLN 29 Cb -0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1whg h GLN 29 CO -0.07 0.65 -0.41 0.00 -0.67 0.00 0.00 178.83 178.33 1whg h ALA 30 N 1.33 0.77 -0.84 3.87 0.00 -0.75 -3.21 119.26 120.43 1whg h ALA 30 Ca -0.00 -0.37 -0.47 0.00 0.00 0.00 0.00 54.91 54.06 1whg h ALA 30 Cb 1.04 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.51 1whg h ALA 30 CO 0.08 0.51 0.60 0.45 0.00 0.00 0.00 179.25 180.90 1whg n SER 31 N -3.25 4.62 0.00 0.00 2.88 0.13 -4.25 113.62 113.74 1whg n SER 31 Ca 0.02 -3.41 0.00 0.00 -1.33 0.00 0.00 58.87 54.14 1whg n SER 31 Cb 0.66 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.80 2.61 -2.14 -1.46 0.00 -1.21 -4.93 120.51 112.57 1whg n ALA 32 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.56 1whg n ALA 32 Cb 1.27 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.85 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 -1.73 3.43 0.85 0.00 1.01 -1.23 -4.84 121.20 118.68 1whg s ILE 33 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 1whg s ILE 33 Cb 0.00 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.44 1whg s ILE 33 CO 0.00 -1.09 1.09 -0.44 0.00 0.00 0.00 174.94 174.50 1whg s SER 34 N 7.24 3.84 0.50 3.58 0.01 -1.26 -4.96 113.70 122.64 1whg s SER 34 Ca 0.61 1.64 -0.16 0.00 1.31 0.00 0.00 55.95 59.35 1whg s SER 34 Cb -0.12 -2.32 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1whg s SER 34 CO 0.20 -2.43 0.95 -0.69 0.41 0.00 0.00 173.24 171.68 1whg s VAL 35 N -2.91 4.57 -1.24 3.43 1.01 -1.26 -3.99 120.40 120.01 1whg s VAL 35 Ca 0.63 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.68 1whg s VAL 35 Cb -0.18 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1whg s VAL 35 CO 0.57 -0.67 0.71 0.61 0.00 0.00 0.00 175.10 176.32 1whg n GLY 36 N -1.54 -0.32 3.02 4.51 0.00 0.55 -4.93 105.19 106.48 1whg n GLY 36 Ca 0.06 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 2.69 0.08 1.61 0.01 -1.26 -4.88 113.70 108.99 1whg s SER 37 Ca 0.35 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 1whg s SER 37 Cb -0.16 -1.19 -0.10 0.00 0.21 0.00 0.00 66.02 64.79 1whg s SER 37 CO 0.44 -0.05 1.92 -0.13 0.41 0.00 0.00 173.24 175.83 1whg s ARG 38 N 1.46 4.14 0.33 12.44 1.81 -1.26 -3.09 118.95 134.78 1whg s ARG 38 Ca 0.05 2.62 0.03 0.00 -1.72 0.00 0.00 55.73 56.70 1whg s ARG 38 Cb -0.13 -3.93 -0.02 0.00 -0.45 0.00 0.00 34.95 30.43 1whg s ARG 38 CO -0.10 -0.91 0.37 0.00 -0.68 0.00 0.00 175.30 173.97 1whg n GLU 40 N -0.59 0.65 -3.84 0.00 4.71 0.17 -1.38 120.64 120.36 1whg n GLU 40 Ca 0.04 -3.49 -0.12 0.00 -0.01 0.00 0.00 57.16 53.58 1whg n GLU 40 Cb 0.62 0.30 -0.10 0.00 -1.01 0.00 0.00 31.44 31.25 1whg n GLU 40 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1whg s VAL 41 N -2.79 0.07 -0.29 2.62 1.01 -1.13 -2.17 120.40 117.71 1whg s VAL 41 Ca 0.36 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1whg s VAL 41 Cb -0.03 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.01 1whg s VAL 41 CO 0.23 -0.31 0.13 -0.60 0.00 0.00 0.00 175.10 174.55 1whg s ARG 42 N -1.17 0.22 0.16 2.72 3.00 0.66 -3.23 118.95 121.31 1whg s ARG 42 Ca -0.12 -0.56 -0.07 0.00 -1.00 0.00 0.00 55.73 53.98 1whg s ARG 42 Cb -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 34.95 33.67 1whg s ARG 42 CO 0.02 -1.02 0.23 0.00 0.00 0.00 0.00 175.30 174.53 1whg s ALA 43 N 2.08 0.25 -0.79 6.12 0.00 -1.26 -4.71 121.76 123.45 1whg s ALA 43 Ca 0.09 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1whg s ALA 43 Cb -0.16 0.89 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 1whg s ALA 43 CO -0.36 -0.61 1.96 -0.35 0.00 0.00 0.00 175.76 176.39 1whg n PRO 44 N -0.19 1.72 0.06 0.00 -0.04 -1.26 -3.99 135.00 131.29 1whg n PRO 44 Ca -0.06 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1whg n PRO 44 Cb 0.63 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1whg n PRO 44 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1whg n ASP 45 N 5.29 0.88 0.05 3.54 -0.08 -1.26 -5.09 116.55 119.87 1whg n ASP 45 Ca 0.43 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1whg n ASP 45 Cb 0.20 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1whg n HIS 46 N -3.45 -2.37 -3.84 -0.67 -0.00 -1.26 -5.18 115.22 98.45 1whg n HIS 46 Ca 0.00 0.28 -0.02 0.00 0.46 0.00 0.00 57.72 58.45 1whg n HIS 46 Cb 0.04 1.07 0.02 0.00 -0.12 0.00 0.00 29.99 31.00 1whg n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1whg n SER 47 N -2.70 -1.39 -4.63 0.26 2.88 -1.26 -5.08 113.62 101.70 1whg n SER 47 Ca 0.00 -1.68 -0.43 0.00 -1.33 0.00 0.00 58.87 55.43 1whg n SER 47 Cb 0.00 2.25 -0.03 0.00 -0.75 0.00 0.00 64.21 65.68 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1whg s LEU 48 N 0.00 3.93 0.56 2.46 1.43 -1.26 -4.81 118.68 121.00 1whg s LEU 48 Ca 0.20 2.29 0.06 0.00 -1.03 0.00 0.00 54.13 55.65 1whg s LEU 48 Cb -0.02 -3.52 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1whg s LEU 48 CO 0.04 -1.52 0.48 -0.13 0.23 0.00 0.00 176.35 175.45 1whg s ARG 49 N 5.43 2.24 -0.10 1.70 1.81 -1.20 -4.92 118.95 123.91 1whg s ARG 49 Ca 0.95 -2.00 0.01 0.00 -1.72 0.00 0.00 55.73 52.97 1whg s ARG 49 Cb -0.38 -2.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.97 1whg s ARG 49 CO 0.38 -0.71 -0.11 1.03 -0.68 0.00 0.00 175.30 175.22 1whg s ARG 50 N -4.37 1.80 0.00 3.54 1.81 -1.26 -2.85 118.95 117.62 1whg s ARG 50 Ca 0.37 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.99 1whg s ARG 50 Cb -0.03 -1.65 0.00 0.00 -0.45 0.00 0.00 34.95 32.82 1whg s ARG 50 CO 0.24 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.13 1whg n GLY 51 N 4.44 4.27 3.04 -3.53 0.00 -0.48 -3.77 105.19 109.16 1whg n GLY 51 Ca -0.17 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.74 0.60 0.07 2.61 2.01 0.27 -1.68 115.64 117.77 1whg s THR 52 Ca 0.00 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 1whg s THR 52 Cb 0.00 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1whg s THR 52 CO 0.00 -0.13 1.21 -0.69 -0.69 0.00 0.00 174.62 174.32 1whg s VAL 53 N -0.83 3.96 -0.00 3.82 1.01 -1.18 -1.16 120.40 126.03 1whg s VAL 53 Ca -0.04 1.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 1whg s VAL 53 Cb -0.07 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1whg s VAL 53 CO 0.00 0.12 -0.00 0.23 0.00 0.00 0.00 175.10 175.45 1whg n MET 54 N 3.83 0.00 -3.86 2.72 2.81 -0.86 -0.33 117.12 121.42 1whg n MET 54 Ca 0.09 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.86 1whg n MET 54 Cb 0.46 -0.93 -0.14 0.00 -0.71 0.00 0.00 33.22 31.91 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 -2.00 -0.02 -0.12 2.03 6.14 -1.26 -4.85 117.35 117.26 1whg s TYR 55 Ca -0.00 0.05 -0.03 0.00 0.64 0.00 0.00 57.07 57.73 1whg s TYR 55 Cb 0.00 0.01 0.05 0.00 0.42 0.00 0.00 41.96 42.43 1whg s TYR 55 CO 0.00 -0.01 0.06 0.08 0.64 0.00 0.00 175.55 176.32 1whg s VAL 56 N -0.01 0.08 -4.36 3.14 1.01 -1.26 -0.46 120.40 118.54 1whg s VAL 56 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1whg s VAL 56 Cb -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1whg s VAL 56 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1whg n GLY 57 N 5.23 -1.10 3.85 4.51 0.00 -0.64 -4.99 105.19 112.04 1whg n GLY 57 Ca -0.06 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 2.54 0.00 0.99 1.43 -1.26 0.67 118.68 123.05 1whg s LEU 58 Ca 0.00 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1whg s LEU 58 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1whg s LEU 58 CO 0.00 -1.88 0.12 0.35 0.23 0.00 0.00 176.35 175.17 1whg n THR 59 N -3.34 0.00 -0.06 5.49 -2.24 -1.24 -4.81 114.28 108.07 1whg n THR 59 Ca 0.07 -1.45 -0.07 0.00 -2.27 0.00 0.00 64.05 60.33 1whg n THR 59 Cb 0.58 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 1whg n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1whg n ASP 60 N -1.95 2.87 0.12 3.42 9.92 -1.26 -4.56 116.55 125.11 1whg n ASP 60 Ca 0.00 -0.04 0.07 0.00 -0.53 0.00 0.00 54.79 54.29 1whg n ASP 60 Cb 0.37 0.15 0.54 0.00 -0.64 0.00 0.00 41.12 41.54 1whg n ASP 60 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1whg h PHE 61 N 0.00 0.25 -2.71 1.24 -5.15 -1.96 -3.43 116.94 105.18 1whg h PHE 61 Ca -0.27 0.01 -0.11 0.00 -0.20 0.00 0.00 57.97 57.40 1whg h PHE 61 Cb 1.49 -0.08 -0.21 0.00 0.22 0.00 0.00 35.95 37.36 1whg h PHE 61 CO 0.01 0.15 -0.16 0.15 -2.00 0.00 0.00 178.31 176.46 1whg s LYS 62 N -5.27 0.67 0.63 6.09 1.02 -1.26 -5.17 119.74 116.45 1whg s LYS 62 Ca -0.07 0.23 -0.15 0.00 0.02 0.00 0.00 55.97 56.01 1whg s LYS 62 Cb 0.17 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1whg s LYS 62 CO 0.70 -0.15 1.08 -1.25 -0.92 0.00 0.00 175.35 174.81 1whg s PRO 63 N -0.63 3.06 0.00 -1.68 0.04 -1.26 -4.12 135.00 130.41 1whg s PRO 63 Ca -0.07 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1whg s PRO 63 Cb -0.03 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1whg s PRO 63 CO 0.04 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1whg n GLY 64 N -0.88 1.11 3.78 0.56 0.00 -1.26 -4.96 105.19 103.54 1whg n GLY 64 Ca 0.09 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.68 3.80 0.05 1.61 2.02 -1.26 -3.72 117.35 118.16 1whg s TYR 65 Ca 0.00 1.64 0.04 0.00 -0.37 0.00 0.00 57.07 58.39 1whg s TYR 65 Cb 0.00 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 38.74 1whg s TYR 65 CO 0.00 0.39 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.66 1whg s TRP 66 N -1.37 1.10 -0.12 2.71 0.52 0.21 -4.66 118.94 117.33 1whg s TRP 66 Ca 0.42 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 56.15 1whg s TRP 66 Cb -0.21 -0.64 0.02 0.00 -1.15 0.00 0.00 33.47 31.49 1whg s TRP 66 CO 0.25 0.02 -0.15 0.08 0.02 0.00 0.00 176.95 177.18 1whg s VAL 67 N -1.04 1.51 -0.03 4.03 1.01 0.14 -1.63 120.40 124.39 1whg s VAL 67 Ca -0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1whg s VAL 67 Cb -0.09 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1whg s VAL 67 CO 0.01 0.45 0.84 -0.83 0.00 0.00 0.00 175.10 175.57 1whg s GLY 68 N 1.19 2.77 -0.15 4.51 0.00 0.39 -1.69 107.32 114.34 1whg s GLY 68 Ca -0.02 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 1whg s GLY 68 CO -0.05 1.43 -0.06 0.14 0.00 0.00 0.00 173.10 174.56 1whg s VAL 69 N 0.88 1.10 -0.23 1.40 1.01 0.79 -2.03 120.40 123.33 1whg s VAL 69 Ca 0.45 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1whg s VAL 69 Cb -0.19 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1whg s VAL 69 CO 0.23 0.20 0.26 -0.60 0.00 0.00 0.00 175.10 175.19 1whg s ARG 70 N 1.65 4.11 0.23 2.72 3.52 -0.31 -0.50 118.95 130.36 1whg s ARG 70 Ca 0.02 -0.07 -0.15 0.00 -0.13 0.00 0.00 55.73 55.40 1whg s ARG 70 Cb -0.14 -3.54 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 1whg s ARG 70 CO -0.08 0.01 0.64 0.71 -0.81 0.00 0.00 175.30 175.77 1whg s TYR 71 N 1.19 3.52 0.39 5.12 2.02 -0.50 -0.57 117.35 128.52 1whg s TYR 71 Ca 0.12 1.14 0.10 0.00 -0.37 0.00 0.00 57.07 58.06 1whg s TYR 71 Cb -0.14 -2.45 0.79 0.00 -0.40 0.00 0.00 41.96 39.77 1whg s TYR 71 CO 0.06 0.29 1.91 -0.44 -1.57 0.00 0.00 175.55 175.80 1whg h ASP 72 N 2.97 0.18 -2.44 2.29 3.32 -1.90 -3.44 116.42 117.40 1whg h ASP 72 Ca -0.48 -0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.00 1whg h ASP 72 Cb 1.18 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 1whg h ASP 72 CO 0.66 0.37 -0.52 -1.61 -1.72 0.00 0.00 179.24 176.42 1whg s GLU 73 N -4.65 3.08 -0.98 3.56 0.41 -1.26 -5.01 118.70 113.84 1whg s GLU 73 Ca -0.05 -0.87 -0.23 0.00 -0.41 0.00 0.00 54.97 53.41 1whg s GLU 73 Cb 0.15 -2.71 -0.13 0.00 -1.78 0.00 0.00 34.13 29.66 1whg s GLU 73 CO 0.73 0.46 1.92 -0.35 -0.49 0.00 0.00 175.26 177.53 1whg n PRO 74 N -0.80 1.45 -1.55 0.39 -0.04 -1.26 -4.34 135.00 128.85 1whg n PRO 74 Ca -0.08 -2.15 0.02 0.00 -0.04 0.00 0.00 63.50 61.25 1whg n PRO 74 Cb 0.56 -3.38 0.01 0.00 -0.04 0.00 0.00 33.50 30.65 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 11.76 0.71 0.00 1.53 4.77 -0.82 -4.92 117.00 130.04 1whg n LEU 75 Ca 0.47 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1whg n LEU 75 Cb 0.44 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1whg n LEU 75 CO 0.83 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 1whg n GLY 76 N 0.31 0.47 1.42 -0.72 0.00 -0.60 -4.87 105.19 101.19 1whg n GLY 76 Ca 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.00 -4.30 1.61 5.02 -1.00 -4.71 118.16 114.77 1whg n LYS 77 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1whg n LYS 77 Cb 0.00 -0.13 -0.07 0.00 -0.02 0.00 0.00 35.03 34.81 1whg n LYS 77 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1whg s ASN 78 N -4.12 4.31 -0.19 4.39 0.01 -0.16 -4.73 114.94 114.46 1whg s ASN 78 Ca 0.00 -1.28 -0.09 0.00 -0.71 0.00 0.00 52.86 50.77 1whg s ASN 78 Cb 0.00 -0.08 -0.21 0.00 0.41 0.00 0.00 41.25 41.37 1whg s ASN 78 CO 0.00 -0.70 0.13 -0.90 -1.51 0.00 0.00 177.10 174.12 1whg n ASP 79 N -1.30 2.02 0.00 -1.22 5.75 -1.26 -3.41 116.55 117.13 1whg n ASP 79 Ca -0.06 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1whg n ASP 79 Cb 0.65 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.83 0.96 3.42 6.12 0.00 -1.26 -4.53 105.19 111.72 1whg n GLY 80 Ca -0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1whg n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 81 N 0.00 5.38 -0.09 1.61 0.01 -1.26 -3.30 113.70 116.05 1whg s SER 81 Ca 0.00 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.75 1whg s SER 81 Cb 0.00 -1.96 0.02 0.00 0.21 0.00 0.00 66.02 64.29 1whg s SER 81 CO 0.00 -0.17 -0.09 -0.69 0.41 0.00 0.00 173.24 172.70 1whg s VAL 82 N 1.59 1.03 -2.00 3.43 1.01 -0.47 -4.74 120.40 120.25 1whg s VAL 82 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1whg s VAL 82 Cb -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1whg s VAL 82 CO 0.05 0.35 0.00 0.59 0.00 0.00 0.00 175.10 176.09 1whg n ASN 83 N 4.49 -5.55 0.00 3.32 5.03 -1.26 -1.48 115.26 119.80 1whg n ASN 83 Ca -0.17 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.60 1whg n ASN 83 Cb 0.51 -4.74 0.00 0.00 -1.02 0.00 0.00 39.78 34.53 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 -0.67 2.94 3.77 7.41 0.00 -1.26 -5.03 105.19 112.35 1whg n GLY 84 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1whg n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whg s LYS 85 N -0.11 4.21 0.33 1.61 3.01 -0.55 -5.03 119.74 123.20 1whg s LYS 85 Ca 0.00 1.75 0.08 0.00 -1.01 0.00 0.00 55.97 56.80 1whg s LYS 85 Cb 0.00 -2.75 -0.04 0.00 -1.01 0.00 0.00 37.83 34.03 1whg s LYS 85 CO 0.00 -0.16 0.12 0.50 0.51 0.00 0.00 175.35 176.32 1whg s ARG 86 N -2.17 2.36 0.00 1.68 3.52 -1.26 -1.36 118.95 121.72 1whg s ARG 86 Ca 0.55 -1.53 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1whg s ARG 86 Cb -0.29 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 1whg s ARG 86 CO 0.36 0.15 0.00 0.66 -0.81 0.00 0.00 175.30 175.67 1whg n TYR 87 N -1.11 -0.11 -4.29 5.12 4.02 -1.21 -5.01 117.16 114.57 1whg n TYR 87 Ca -0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.66 1whg n TYR 87 Cb 0.61 0.47 -0.07 0.00 -0.02 0.00 0.00 39.34 40.33 1whg n TYR 87 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 1whg n PHE 88 N -2.45 -0.68 -3.77 -0.72 -1.74 -1.26 -4.56 117.46 102.28 1whg n PHE 88 Ca 0.00 -2.67 -0.28 0.00 -0.56 0.00 0.00 57.45 53.94 1whg n PHE 88 Cb 0.00 0.25 -0.12 0.00 1.52 0.00 0.00 39.48 41.14 1whg n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1whg s GLU 89 N -3.32 2.02 0.34 3.97 2.02 -1.26 -4.87 118.70 117.60 1whg s GLU 89 Ca 0.37 -2.97 0.07 0.00 0.02 0.00 0.00 54.97 52.45 1whg s GLU 89 Cb 0.02 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1whg s GLU 89 CO 0.26 -1.30 0.25 0.00 0.02 0.00 0.00 175.26 174.48 1whg n GLN 91 N -0.68 -0.52 -3.16 0.00 7.27 -1.26 -4.85 117.38 114.18 1whg n GLN 91 Ca 0.05 -0.93 -0.25 0.00 0.07 0.00 0.00 57.00 55.93 1whg n GLN 91 Cb 0.59 -0.59 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 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 -3.92 3.61 -1.41 1.69 0.00 -1.26 -4.30 121.76 116.17 1whg s ALA 92 Ca 0.33 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 1whg s ALA 92 Cb -0.01 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1whg s ALA 92 CO 0.23 -0.09 0.82 1.63 0.00 0.00 0.00 175.76 178.35 1whg n LYS 93 N -1.85 -5.99 0.00 0.00 5.02 -1.23 -4.82 118.16 109.29 1whg n LYS 93 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1whg n LYS 93 Cb 0.56 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 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 -4.66 0.00 -3.28 2.13 4.01 -1.26 -1.56 117.16 112.54 1whg n TYR 94 Ca -0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.30 1whg n TYR 94 Cb 0.59 0.35 -0.06 0.00 -0.31 0.00 0.00 39.34 39.91 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 -4.44 2.62 0.02 2.72 0.00 -1.22 -1.41 107.32 105.62 1whg s GLY 95 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1whg s GLY 95 CO 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 173.10 173.48 1whg s ALA 96 N -0.78 1.11 -0.38 3.20 0.00 0.34 -0.99 121.76 124.26 1whg s ALA 96 Ca 0.29 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1whg s ALA 96 Cb -0.19 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1whg s ALA 96 CO 0.17 0.22 0.22 -0.06 0.00 0.00 0.00 175.76 176.32 1whg s PHE 97 N -0.70 3.26 0.52 0.00 0.08 -1.26 -0.15 117.98 119.73 1whg s PHE 97 Ca 0.02 -1.05 0.01 0.00 0.12 0.00 0.00 56.93 56.02 1whg s PHE 97 Cb -0.07 -2.52 -0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1whg s PHE 97 CO 0.01 -0.68 0.01 0.14 -0.10 0.00 0.00 175.22 174.59 1whg s VAL 98 N 1.53 1.01 0.02 -0.44 -7.23 -0.68 -4.93 120.40 109.69 1whg s VAL 98 Ca 0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1whg s VAL 98 Cb -0.20 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1whg s VAL 98 CO 0.06 0.00 0.18 -0.54 -0.31 0.00 0.00 175.10 174.49 1whg s LYS 99 N -3.89 3.40 0.19 4.82 -0.14 -1.26 -0.68 119.74 122.17 1whg s LYS 99 Ca 0.03 -0.39 -0.20 0.00 -1.36 0.00 0.00 55.97 54.05 1whg s LYS 99 Cb 0.00 -3.05 0.14 0.00 -1.68 0.00 0.00 37.83 33.24 1whg s LYS 99 CO 0.02 0.65 1.59 -1.35 -0.76 0.00 0.00 175.35 175.49 1whg h PRO 100 N 3.56 -0.14 -0.12 -1.68 0.11 -1.89 1.59 132.00 133.42 1whg h PRO 100 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1whg h PRO 100 Cb 1.18 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1whg h PRO 100 CO 0.71 -0.09 0.20 1.03 -0.21 0.00 0.00 178.00 179.64 1whg h SER 101 N -0.15 0.00 0.42 -2.05 0.87 -1.94 0.75 113.55 111.45 1whg h SER 101 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 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 -0.67 0.00 -0.77 0.00 -0.53 0.00 0.00 176.83 174.85 1whg n ALA 102 N -2.20 3.66 -2.67 6.23 0.00 0.49 -4.82 120.51 121.20 1whg n ALA 102 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 1whg n ALA 102 Cb 0.30 -1.01 -0.11 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 -3.08 5.10 -0.38 0.00 1.01 0.26 -0.24 120.40 123.07 1whg s VAL 103 Ca 0.08 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1whg s VAL 103 Cb 0.16 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1whg s VAL 103 CO 0.76 0.17 0.30 -0.89 0.00 0.00 0.00 175.10 175.44 1whg s THR 104 N 1.72 5.25 0.08 3.92 2.01 -0.92 -4.86 115.64 122.83 1whg s THR 104 Ca 0.06 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1whg s THR 104 Cb -0.16 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1whg s THR 104 CO 0.09 -0.19 1.04 -0.69 -0.69 0.00 0.00 174.62 174.19 1whg s VAL 105 N 1.77 4.39 -0.11 3.82 1.01 -1.26 0.46 120.40 130.49 1whg s VAL 105 Ca 0.07 1.85 0.12 0.00 0.00 0.00 0.00 61.98 64.01 1whg s VAL 105 Cb -0.18 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.85 1whg s VAL 105 CO 0.11 0.22 0.09 0.61 0.00 0.00 0.00 175.10 176.12 1whg n GLY 106 N 2.61 -0.62 2.87 4.51 0.00 -1.24 -4.92 105.19 108.39 1whg n GLY 106 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.37 -0.66 -0.03 1.61 2.15 -1.23 -5.07 116.67 109.06 1whg s ASP 107 Ca -0.06 -0.39 -0.04 0.00 0.43 0.00 0.00 52.55 52.49 1whg s ASP 107 Cb 0.05 0.85 -0.01 0.00 -0.30 0.00 0.00 42.92 43.50 1whg s ASP 107 CO 0.52 -0.07 -0.08 -0.24 -0.17 0.00 0.00 175.17 175.14 1whg n SER 108 N 3.73 0.56 -0.18 -0.34 2.88 -1.26 -4.19 113.62 114.82 1whg n SER 108 Ca 0.08 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1whg n SER 108 Cb 0.62 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1whg n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whg n GLY 109 N 2.14 -0.28 3.72 0.46 0.00 -1.26 -4.97 105.19 105.00 1whg n GLY 109 Ca -0.03 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.08 4.29 0.00 1.61 0.04 -1.26 -4.75 135.00 134.85 1whg s PRO 110 Ca 0.00 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1whg s PRO 110 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1whg s PRO 110 CO 0.00 -0.47 0.00 0.45 0.04 0.00 0.00 177.00 177.02 1whg n SER 111 N 3.76 0.00 -1.56 6.66 2.88 -1.26 -4.96 113.62 119.14 1whg n SER 111 Ca 0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1whg n SER 111 Cb 0.41 0.26 0.09 0.00 -0.75 0.00 0.00 64.21 64.22 1whg n SER 111 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whg n SER 112 N -2.01 2.12 0.00 -3.46 7.64 -1.26 -5.27 113.62 111.38 1whg n SER 112 Ca 0.00 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1whg n SER 112 Cb 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1whg n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64