#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 -4.53 1.61 2.88 -1.26 -5.12 113.62 107.19 1whg n SER 2 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1whg n SER 2 Cb 0.00 0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.51 1whg n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whg s SER 3 N -1.56 4.93 0.11 -3.46 0.15 -1.26 -5.02 113.70 107.60 1whg s SER 3 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1whg s SER 3 Cb 0.00 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1whg s SER 3 CO 0.00 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1whg n GLY 4 N 3.36 -2.07 2.98 9.45 0.00 -1.26 -4.65 105.19 113.00 1whg n GLY 4 Ca -0.17 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1whg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg s SER 5 N -3.39 5.24 0.76 1.61 0.01 -1.26 -4.93 113.70 111.74 1whg s SER 5 Ca 0.00 -3.75 -0.03 0.00 1.31 0.00 0.00 55.95 53.48 1whg s SER 5 Cb 0.00 -1.74 0.15 0.00 0.21 0.00 0.00 66.02 64.64 1whg s SER 5 CO 0.00 -0.13 0.99 -1.54 0.41 0.00 0.00 173.24 172.96 1whg n SER 6 N 2.18 1.09 0.00 2.44 3.41 -1.26 -5.06 113.62 116.42 1whg n SER 6 Ca 0.19 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1whg n SER 6 Cb 0.36 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.35 0.83 3.01 5.00 0.00 -1.26 -5.04 105.19 105.38 1whg n GLY 7 Ca 0.16 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.85 -0.05 0.09 1.61 0.01 -1.26 -5.02 114.94 108.46 1whg s ASN 8 Ca 0.00 0.46 0.05 0.00 -0.71 0.00 0.00 52.86 52.65 1whg s ASN 8 Cb 0.00 1.29 -0.23 0.00 0.41 0.00 0.00 41.25 42.72 1whg s ASN 8 CO 0.00 -0.28 1.17 -0.08 -1.51 0.00 0.00 177.10 176.39 1whg h GLU 9 N 8.16 0.06 0.08 -0.60 4.81 -2.00 -3.23 114.58 121.86 1whg h GLU 9 Ca -0.19 -0.11 -0.25 0.00 -0.13 0.00 0.00 59.36 58.68 1whg h GLU 9 Cb 1.15 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1whg h GLU 9 CO 0.24 1.00 -1.11 0.93 -0.73 0.00 0.00 179.01 179.33 1whg h GLU 10 N 0.02 0.32 -1.10 1.92 4.39 -2.05 -3.28 114.58 114.80 1whg h GLU 10 Ca -0.07 -0.45 -0.60 0.00 0.34 0.00 0.00 59.36 58.58 1whg h GLU 10 Cb 1.85 0.15 -0.26 0.00 -0.10 0.00 0.00 28.75 30.39 1whg h GLU 10 CO 0.14 1.17 0.77 -0.11 -1.16 0.00 0.00 179.01 179.81 1whg n LEU 11 N -3.62 7.37 -0.08 1.33 7.94 -1.25 -4.30 117.00 124.39 1whg n LEU 11 Ca -0.08 -4.03 -0.11 0.00 -1.11 0.00 0.00 56.01 50.68 1whg n LEU 11 Cb 0.94 -0.98 -0.15 0.00 0.53 0.00 0.00 43.42 43.76 1whg n LEU 11 CO 0.53 1.38 -1.02 -1.14 -1.11 0.00 0.00 177.39 176.03 1whg n ARG 12 N -0.69 0.68 -0.00 1.96 3.00 -1.22 -4.34 116.66 116.04 1whg n ARG 12 Ca 0.56 0.09 0.08 0.00 -0.00 0.00 0.00 57.85 58.58 1whg n ARG 12 Cb 0.72 -1.59 -0.11 0.00 0.00 0.00 0.00 32.46 31.48 1whg n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1whg n ALA 13 N -2.77 3.26 0.08 5.13 0.00 -1.26 -4.43 120.51 120.53 1whg n ALA 13 Ca -0.31 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 52.68 1whg n ALA 13 Cb 1.11 -0.57 0.17 0.00 0.00 0.00 0.00 19.45 20.17 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 0.26 -1.03 0.00 5.75 -1.78 -2.98 115.11 115.33 1whg h GLN 14 Ca 0.00 -0.14 -0.47 0.00 -0.15 0.00 0.00 58.65 57.89 1whg h GLN 14 Cb 0.58 0.01 -0.26 0.00 1.07 0.00 0.00 27.48 28.88 1whg h GLN 14 CO 0.00 0.70 0.60 1.04 -2.65 0.00 0.00 178.83 178.51 1whg n GLN 15 N -3.96 2.13 -0.02 1.69 6.02 -1.26 -0.82 117.38 121.17 1whg n GLN 15 Ca -0.02 -2.61 -0.02 0.00 -0.01 0.00 0.00 57.00 54.34 1whg n GLN 15 Cb 0.54 -2.02 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 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 -0.85 0.09 0.00 -1.09 1.02 -1.13 -4.74 120.64 113.94 1whg n GLU 16 Ca 0.52 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1whg n GLU 16 Cb 1.35 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 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 -2.60 2.76 -0.01 0.62 0.00 -1.25 -4.55 120.51 115.48 1whg n ALA 17 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1whg n ALA 17 Cb 0.56 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 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 0.11 -1.03 0.00 4.39 -1.78 -2.84 114.58 113.43 1whg h GLU 18 Ca 0.00 -0.02 -0.53 0.00 0.34 0.00 0.00 59.36 59.15 1whg h GLU 18 Cb 0.63 -0.02 -0.28 0.00 -0.10 0.00 0.00 28.75 28.98 1whg h GLU 18 CO 0.00 0.21 0.68 0.00 -1.16 0.00 0.00 179.01 178.74 1whg n ALA 19 N -2.18 5.67 -2.19 3.43 0.00 0.00 -3.98 120.51 121.25 1whg n ALA 19 Ca -0.06 -2.87 -0.01 0.00 0.00 0.00 0.00 53.44 50.50 1whg n ALA 19 Cb 0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.91 2.79 0.01 0.00 0.00 -1.09 -4.75 120.51 116.56 1whg n ALA 20 Ca 0.56 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1whg n ALA 20 Cb 1.24 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 0.19 0.00 0.03 0.00 3.00 -1.15 -4.75 117.38 114.70 1whg n GLN 21 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 1whg n GLN 21 Cb 0.85 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.95 1whg n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whg h ARG 22 N 0.00 0.07 0.00 -1.09 2.47 -1.79 -3.33 114.38 110.70 1whg h ARG 22 Ca 0.00 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1whg h ARG 22 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1whg h ARG 22 CO 0.00 0.85 -0.89 -0.11 0.56 0.00 0.00 179.97 180.38 1whg n LEU 23 N -3.27 0.69 -0.07 3.04 7.94 -1.26 -4.06 117.00 120.01 1whg n LEU 23 Ca -0.11 0.17 0.19 0.00 -1.11 0.00 0.00 56.01 55.16 1whg n LEU 23 Cb 1.01 -0.12 0.63 0.00 0.53 0.00 0.00 43.42 45.47 1whg n LEU 23 CO 0.47 -0.06 1.20 0.77 -1.11 0.00 0.00 177.39 178.66 1whg h SER 24 N 0.00 0.13 -0.35 1.96 4.64 -1.86 -0.06 113.55 118.01 1whg h SER 24 Ca 0.00 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1whg h SER 24 Cb 0.82 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1whg h SER 24 CO 0.00 0.07 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.34 1whg h GLU 25 N 0.14 0.87 -0.08 4.77 5.08 -1.77 -2.83 114.58 120.75 1whg h GLU 25 Ca 0.30 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1whg h GLU 25 Cb 1.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1whg h GLU 25 CO -0.04 1.10 -0.35 0.93 -1.00 0.00 0.00 179.01 179.65 1whg h GLU 26 N 0.67 0.16 -0.58 2.33 5.08 -1.28 -2.91 114.58 118.05 1whg h GLU 26 Ca 0.06 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1whg h GLU 26 Cb 0.95 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1whg h GLU 26 CO 0.09 0.50 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.36 1whg h LYS 27 N 0.14 1.03 -0.32 2.33 3.64 -1.19 -1.77 116.57 120.44 1whg h LYS 27 Ca 0.02 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1whg h LYS 27 Cb 0.69 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1whg h LYS 27 CO 0.05 1.03 0.21 0.00 -2.27 0.00 0.00 179.45 178.47 1whg h ALA 28 N 0.97 1.77 0.08 5.00 0.00 -1.30 0.61 119.26 126.39 1whg h ALA 28 Ca 0.16 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 1whg h ALA 28 Cb 0.57 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1whg h ALA 28 CO 0.03 0.22 -0.99 1.96 0.00 0.00 0.00 179.25 180.47 1whg h GLN 29 N 0.43 0.52 0.00 0.00 4.20 -1.45 -3.28 115.11 115.53 1whg h GLN 29 Ca 0.12 -0.68 -0.13 0.00 0.06 0.00 0.00 58.65 58.02 1whg h GLN 29 Cb -0.04 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1whg h GLN 29 CO -0.02 1.28 -0.61 0.00 -0.67 0.00 0.00 178.83 178.81 1whg h ALA 30 N 0.27 0.89 -0.75 3.87 0.00 -0.87 -3.19 119.26 119.49 1whg h ALA 30 Ca -0.15 -0.55 -0.55 0.00 0.00 0.00 0.00 54.91 53.65 1whg h ALA 30 Cb 1.70 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 19.18 1whg h ALA 30 CO 0.19 0.76 0.67 0.43 0.00 0.00 0.00 179.25 181.30 1whg n SER 31 N -3.67 7.05 0.00 0.00 7.64 0.21 -4.18 113.62 120.67 1whg n SER 31 Ca -0.01 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1whg n SER 31 Cb 0.64 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.08 1.47 -1.99 -0.43 0.00 -1.21 -4.91 120.51 113.35 1whg n ALA 32 Ca 0.49 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.54 1whg n ALA 32 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.69 3.32 1.27 0.00 1.01 -1.21 -4.93 121.20 118.97 1whg s ILE 33 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 1whg s ILE 33 Cb 0.00 -3.85 0.33 0.00 0.01 0.00 0.00 42.46 38.95 1whg s ILE 33 CO 0.00 -0.82 0.98 -1.54 0.00 0.00 0.00 174.94 173.56 1whg n SER 34 N 13.02 -2.47 -4.89 3.58 3.41 -1.26 -4.91 113.62 120.11 1whg n SER 34 Ca 0.22 -0.37 -0.35 0.00 -0.26 0.00 0.00 58.87 58.10 1whg n SER 34 Cb 0.52 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 1whg n SER 34 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1whg s VAL 35 N -2.32 5.44 -0.33 -3.33 1.01 -1.26 -4.46 120.40 115.15 1whg s VAL 35 Ca 0.69 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 1whg s VAL 35 Cb -0.23 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1whg s VAL 35 CO 0.64 0.49 0.29 0.61 0.00 0.00 0.00 175.10 177.12 1whg n GLY 36 N 1.51 0.51 3.01 4.51 0.00 0.32 -4.97 105.19 110.08 1whg n GLY 36 Ca -0.15 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.14 1.14 -0.08 1.61 0.01 -1.26 -4.90 113.70 107.09 1whg s SER 37 Ca 0.11 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.90 1whg s SER 37 Cb -0.05 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1whg s SER 37 CO 0.18 0.08 1.85 -0.13 0.41 0.00 0.00 173.24 175.63 1whg s ARG 38 N 0.03 3.94 0.01 12.44 1.81 -1.26 -2.37 118.95 133.55 1whg s ARG 38 Ca -0.00 2.22 -0.05 0.00 -1.72 0.00 0.00 55.73 56.18 1whg s ARG 38 Cb -0.06 -4.12 -0.01 0.00 -0.45 0.00 0.00 34.95 30.31 1whg s ARG 38 CO 0.00 -1.16 0.08 0.00 -0.68 0.00 0.00 175.30 173.55 1whg s GLU 40 N -1.53 2.79 -0.00 0.00 8.01 0.14 -1.34 118.70 126.77 1whg s GLU 40 Ca -0.14 -0.09 -0.06 0.00 0.01 0.00 0.00 54.97 54.69 1whg s GLU 40 Cb -0.08 -2.27 -0.00 0.00 -4.31 0.00 0.00 34.13 27.47 1whg s GLU 40 CO 0.00 -0.77 0.11 0.08 0.01 0.00 0.00 175.26 174.69 1whg s VAL 41 N -3.01 0.07 -0.24 2.63 1.01 -0.69 -0.86 120.40 119.31 1whg s VAL 41 Ca 0.55 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1whg s VAL 41 Cb -0.11 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 35.99 1whg s VAL 41 CO 0.45 -0.34 0.09 -0.13 0.00 0.00 0.00 175.10 175.17 1whg s ARG 42 N -1.15 0.38 0.09 2.72 0.52 -0.92 -2.63 118.95 117.95 1whg s ARG 42 Ca -0.12 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1whg s ARG 42 Cb -0.07 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 1whg s ARG 42 CO 0.01 -0.84 -0.07 0.00 0.02 0.00 0.00 175.30 174.42 1whg s ALA 43 N 1.95 0.90 -0.90 2.13 0.00 -1.26 -4.83 121.76 119.76 1whg s ALA 43 Ca 0.05 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1whg s ALA 43 Cb -0.17 0.13 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1whg s ALA 43 CO -0.21 -0.17 2.07 -0.35 0.00 0.00 0.00 175.76 177.09 1whg n PRO 44 N 0.32 1.97 0.00 0.00 -0.04 -1.26 -3.73 135.00 132.26 1whg n PRO 44 Ca -0.15 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1whg n PRO 44 Cb 0.59 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 5.07 0.73 0.00 3.54 -0.08 -1.26 -5.08 116.55 119.47 1whg n ASP 45 Ca 0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1whg n ASP 45 Cb 0.21 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.67 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 -2.47 -1.02 -3.73 -0.67 -0.00 -1.24 -5.19 115.22 100.89 1whg n HIS 46 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1whg n HIS 46 Cb 0.25 0.33 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 -2.00 0.00 -4.70 0.26 2.88 -1.26 -5.06 113.62 103.73 1whg n SER 47 Ca 0.00 -0.92 -0.42 0.00 -1.33 0.00 0.00 58.87 56.20 1whg n SER 47 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1whg n SER 47 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1whg n LEU 48 N 0.00 4.08 -4.12 2.46 4.77 -1.26 -4.65 117.00 118.27 1whg n LEU 48 Ca 0.00 1.01 -0.19 0.00 -0.03 0.00 0.00 56.01 56.80 1whg n LEU 48 Cb 0.00 -1.56 -0.13 0.00 -2.33 0.00 0.00 43.42 39.39 1whg n LEU 48 CO 0.00 0.20 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.68 1whg s ARG 49 N 2.19 0.86 -0.37 3.23 1.81 -1.08 -4.97 118.95 120.62 1whg s ARG 49 Ca 0.79 -0.70 -0.17 0.00 -1.72 0.00 0.00 55.73 53.94 1whg s ARG 49 Cb -0.48 -0.84 -0.00 0.00 -0.45 0.00 0.00 34.95 33.18 1whg s ARG 49 CO 0.35 0.21 0.42 1.03 -0.68 0.00 0.00 175.30 176.63 1whg s ARG 50 N -1.06 3.44 0.00 3.54 1.81 -1.26 -1.71 118.95 123.71 1whg s ARG 50 Ca 0.01 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1whg s ARG 50 Cb -0.07 -3.85 0.00 0.00 -0.45 0.00 0.00 34.95 30.57 1whg s ARG 50 CO 0.01 -0.65 0.00 0.41 -0.68 0.00 0.00 175.30 174.39 1whg n GLY 51 N 4.96 5.42 3.04 -3.53 0.00 -0.45 -4.45 105.19 110.19 1whg n GLY 51 Ca -0.07 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.75 0.65 0.14 2.61 2.01 -1.13 -0.70 115.64 118.48 1whg s THR 52 Ca 0.00 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 61.00 1whg s THR 52 Cb 0.00 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.81 1whg s THR 52 CO 0.00 -0.06 1.38 -0.69 -0.69 0.00 0.00 174.62 174.56 1whg s VAL 53 N -0.70 3.22 -0.02 3.82 1.01 -1.00 -2.77 120.40 123.96 1whg s VAL 53 Ca -0.02 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1whg s VAL 53 Cb -0.06 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1whg s VAL 53 CO 0.00 0.09 -0.03 0.23 0.00 0.00 0.00 175.10 175.40 1whg n MET 54 N 3.55 0.06 -3.71 2.72 2.81 0.12 -0.52 117.12 122.14 1whg n MET 54 Ca 0.10 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.88 1whg n MET 54 Cb 0.42 -0.82 -0.13 0.00 -0.71 0.00 0.00 33.22 31.98 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 -2.05 -0.33 -0.32 2.03 6.14 -1.24 -4.87 117.35 116.71 1whg s TYR 55 Ca -0.03 0.80 0.01 0.00 0.64 0.00 0.00 57.07 58.49 1whg s TYR 55 Cb 0.01 0.01 0.10 0.00 0.42 0.00 0.00 41.96 42.50 1whg s TYR 55 CO 0.05 -0.26 0.08 0.08 0.64 0.00 0.00 175.55 176.14 1whg s VAL 56 N 1.56 1.39 -0.02 3.14 1.01 -1.26 0.24 120.40 126.45 1whg s VAL 56 Ca -0.06 -1.73 -0.10 0.00 0.00 0.00 0.00 61.98 60.08 1whg s VAL 56 Cb -0.11 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1whg s VAL 56 CO -0.08 -0.64 0.45 0.61 0.00 0.00 0.00 175.10 175.44 1whg n GLY 57 N 4.63 0.38 3.50 4.51 0.00 -0.73 -4.95 105.19 112.53 1whg n GLY 57 Ca -0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 0.64 0.36 0.99 1.43 -1.26 0.09 118.68 120.93 1whg s LEU 58 Ca 0.11 1.30 0.05 0.00 -1.03 0.00 0.00 54.13 54.56 1whg s LEU 58 Cb -0.00 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1whg s LEU 58 CO -0.01 -4.20 0.18 0.42 0.23 0.00 0.00 176.35 172.96 1whg s THR 59 N -2.55 0.37 -0.10 5.49 -4.23 -1.24 -4.71 115.64 108.68 1whg s THR 59 Ca 0.68 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 1whg s THR 59 Cb -0.22 -2.43 -0.11 0.00 1.34 0.00 0.00 72.50 71.08 1whg s THR 59 CO 0.62 0.00 0.02 -0.67 -0.54 0.00 0.00 174.62 174.05 1whg n ASP 60 N -1.28 2.70 0.04 3.99 2.03 -1.26 -4.61 116.55 118.15 1whg n ASP 60 Ca -0.01 -0.01 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 1whg n ASP 60 Cb 0.64 0.65 -0.04 0.00 -0.72 0.00 0.00 41.12 41.66 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 0.77 -3.91 -0.67 -5.15 -1.98 -3.46 116.94 102.54 1whg h PHE 61 Ca -0.26 -0.37 -0.23 0.00 -0.20 0.00 0.00 57.97 56.91 1whg h PHE 61 Cb 1.57 -0.11 -0.17 0.00 0.22 0.00 0.00 35.95 37.46 1whg h PHE 61 CO 0.00 1.18 -0.71 0.15 -2.00 0.00 0.00 178.31 176.93 1whg s LYS 62 N -3.51 0.69 0.58 6.09 1.02 -1.26 -5.17 119.74 118.17 1whg s LYS 62 Ca -0.07 -1.11 -0.10 0.00 0.02 0.00 0.00 55.97 54.71 1whg s LYS 62 Cb 0.09 -0.18 0.14 0.00 -0.52 0.00 0.00 37.83 37.37 1whg s LYS 62 CO 0.88 -0.01 0.57 -0.35 -0.92 0.00 0.00 175.35 175.52 1whg n PRO 63 N 0.52 -1.69 -1.43 -1.68 -0.04 -1.26 -4.07 135.00 125.35 1whg n PRO 63 Ca -0.16 -0.90 0.19 0.00 -0.04 0.00 0.00 63.50 62.59 1whg n PRO 63 Cb 0.59 -0.77 -0.05 0.00 -0.04 0.00 0.00 33.50 33.22 1whg n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1whg n GLY 64 N -0.64 -1.95 3.91 0.55 0.00 -1.26 -4.76 105.19 101.05 1whg n GLY 64 Ca 0.08 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.35 3.08 -0.16 1.61 2.02 -1.26 -3.66 117.35 116.63 1whg s TYR 65 Ca 0.00 0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 57.21 1whg s TYR 65 Cb 0.00 -3.12 0.04 0.00 -0.40 0.00 0.00 41.96 38.48 1whg s TYR 65 CO 0.00 -1.30 0.44 -1.58 -1.57 0.00 0.00 175.55 171.54 1whg s TRP 66 N -3.27 -0.48 -0.14 2.71 0.52 0.11 -4.77 118.94 113.63 1whg s TRP 66 Ca 0.59 1.15 -0.01 0.00 0.02 0.00 0.00 56.10 57.84 1whg s TRP 66 Cb -0.11 0.17 -0.02 0.00 -1.15 0.00 0.00 33.47 32.36 1whg s TRP 66 CO 0.47 -0.25 -0.10 0.08 0.02 0.00 0.00 176.95 177.17 1whg s VAL 67 N 0.14 3.31 -0.33 4.03 1.01 0.77 -1.78 120.40 127.55 1whg s VAL 67 Ca -0.01 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1whg s VAL 67 Cb -0.03 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1whg s VAL 67 CO 0.01 0.52 0.38 -0.83 0.00 0.00 0.00 175.10 175.17 1whg s GLY 68 N 0.33 1.89 -0.09 4.51 0.00 0.14 -1.48 107.32 112.62 1whg s GLY 68 Ca -0.09 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1whg s GLY 68 CO 0.05 1.02 -0.23 0.14 0.00 0.00 0.00 173.10 174.08 1whg s VAL 69 N 2.07 1.95 -0.09 1.40 1.01 -1.15 0.11 120.40 125.69 1whg s VAL 69 Ca 0.13 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1whg s VAL 69 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1whg s VAL 69 CO 0.12 0.54 0.11 -0.60 0.00 0.00 0.00 175.10 175.26 1whg s ARG 70 N 0.29 3.31 0.24 2.72 3.52 -1.11 -2.32 118.95 125.59 1whg s ARG 70 Ca -0.16 -0.24 0.07 0.00 -0.13 0.00 0.00 55.73 55.27 1whg s ARG 70 Cb -0.17 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1whg s ARG 70 CO 0.08 0.74 0.18 0.71 -0.81 0.00 0.00 175.30 176.19 1whg s TYR 71 N -1.05 3.09 0.13 5.12 2.02 -1.17 -2.82 117.35 122.67 1whg s TYR 71 Ca 0.17 -0.11 -0.15 0.00 -0.37 0.00 0.00 57.07 56.61 1whg s TYR 71 Cb -0.12 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1whg s TYR 71 CO 0.06 0.53 1.61 -0.44 -1.57 0.00 0.00 175.55 175.74 1whg h ASP 72 N 1.62 0.63 -2.30 2.29 3.32 -1.92 -3.44 116.42 116.61 1whg h ASP 72 Ca -0.48 -0.26 -0.47 0.00 0.02 0.00 0.00 57.03 55.84 1whg h ASP 72 Cb 1.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1whg h ASP 72 CO 0.61 0.73 -0.41 -1.61 -1.72 0.00 0.00 179.24 176.84 1whg s GLU 73 N -5.20 3.45 -1.12 3.56 2.02 -1.26 -5.00 118.70 115.14 1whg s GLU 73 Ca -0.13 -0.69 -0.24 0.00 0.02 0.00 0.00 54.97 53.93 1whg s GLU 73 Cb 0.10 -2.88 -0.10 0.00 0.10 0.00 0.00 34.13 31.35 1whg s GLU 73 CO 0.78 0.41 1.97 -1.25 0.02 0.00 0.00 175.26 177.19 1whg s PRO 74 N -3.91 2.32 -0.12 0.39 0.04 -1.26 -4.57 135.00 127.87 1whg s PRO 74 Ca 0.35 -0.91 0.18 0.00 0.04 0.00 0.00 61.00 60.66 1whg s PRO 74 Cb -0.09 -5.17 0.43 0.00 0.04 0.00 0.00 34.50 29.70 1whg s PRO 74 CO 0.30 -4.10 1.19 1.28 0.04 0.00 0.00 177.00 175.70 1whg n LEU 75 N 15.10 2.01 -5.03 -3.56 4.77 -1.18 -4.89 117.00 124.22 1whg n LEU 75 Ca 0.44 -3.06 -0.19 0.00 -0.03 0.00 0.00 56.01 53.17 1whg n LEU 75 Cb 0.47 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1whg n LEU 75 CO 0.65 1.02 0.32 -0.83 -1.33 0.00 0.00 177.39 177.23 1whg s GLY 76 N -2.74 1.77 -0.07 -0.72 0.00 -1.08 -4.81 107.32 99.67 1whg s GLY 76 Ca 0.36 -2.02 0.01 0.00 0.00 0.00 0.00 44.72 43.08 1whg s GLY 76 CO -0.11 -1.60 -0.05 0.28 0.00 0.00 0.00 173.10 171.62 1whg n LYS 77 N -2.21 0.70 -4.01 2.90 5.02 -1.26 -4.28 118.16 115.01 1whg n LYS 77 Ca 0.14 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 1whg n LYS 77 Cb 0.61 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.42 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 -4.56 4.57 -0.16 4.39 0.01 -1.26 -4.56 114.94 113.37 1whg s ASN 78 Ca -0.09 -1.14 0.14 0.00 -0.71 0.00 0.00 52.86 51.06 1whg s ASN 78 Cb 0.02 -0.08 -0.20 0.00 0.41 0.00 0.00 41.25 41.41 1whg s ASN 78 CO 0.19 -0.79 0.05 -0.90 -1.51 0.00 0.00 177.10 174.13 1whg n ASP 79 N -1.48 1.10 0.00 -1.22 5.68 -1.26 -2.56 116.55 116.81 1whg n ASP 79 Ca -0.02 -0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1whg n ASP 79 Cb 0.64 0.85 0.00 0.00 -1.14 0.00 0.00 41.12 41.47 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whg n GLY 80 N 2.03 1.35 3.46 6.12 0.00 -1.26 -4.00 105.19 112.89 1whg n GLY 80 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 5.99 -0.28 1.61 1.04 -1.26 -1.97 113.70 118.83 1whg s SER 81 Ca 0.00 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 1whg s SER 81 Cb 0.00 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 64.05 1whg s SER 81 CO 0.00 -0.36 -0.04 -0.69 0.98 0.00 0.00 173.24 173.13 1whg s VAL 82 N 1.67 2.76 -1.81 5.02 1.01 0.51 -4.63 120.40 124.93 1whg s VAL 82 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1whg s VAL 82 Cb -0.18 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1whg s VAL 82 CO 0.09 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.74 1whg n ASN 83 N 4.58 -5.85 0.00 3.32 3.02 -1.26 -1.42 115.26 117.66 1whg n ASN 83 Ca -0.14 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1whg n ASN 83 Cb 0.44 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 1whg n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1whg n GLY 84 N -0.97 3.02 3.64 7.41 0.00 -1.26 -5.02 105.19 112.01 1whg n GLY 84 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.12 4.07 -0.11 1.61 2.20 -0.50 -5.00 119.74 121.89 1whg s LYS 85 Ca 0.00 1.10 -0.06 0.00 -0.36 0.00 0.00 55.97 56.65 1whg s LYS 85 Cb 0.00 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1whg s LYS 85 CO 0.00 -0.90 0.13 0.50 -0.36 0.00 0.00 175.35 174.73 1whg s ARG 86 N 3.65 3.40 -0.09 4.03 3.52 -1.26 -0.36 118.95 131.85 1whg s ARG 86 Ca 0.46 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1whg s ARG 86 Cb -0.13 -3.15 -0.08 0.00 -1.56 0.00 0.00 34.95 30.04 1whg s ARG 86 CO 0.15 0.76 -0.04 0.66 -0.81 0.00 0.00 175.30 176.03 1whg n TYR 87 N 1.89 0.00 -4.16 5.12 4.02 -0.83 -5.00 117.16 118.20 1whg n TYR 87 Ca -0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.56 1whg n TYR 87 Cb 0.55 -0.37 -0.07 0.00 -0.02 0.00 0.00 39.34 39.42 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 -2.19 1.15 -0.45 -0.72 -0.12 -1.26 -4.57 117.98 109.83 1whg s PHE 88 Ca -0.09 -1.32 0.04 0.00 -0.05 0.00 0.00 56.93 55.51 1whg s PHE 88 Cb 0.03 -0.34 0.12 0.00 -0.63 0.00 0.00 43.02 42.20 1whg s PHE 88 CO 0.26 -0.90 0.18 -1.21 -0.05 0.00 0.00 175.22 173.50 1whg s GLU 89 N -3.63 1.71 0.12 1.99 2.02 -1.26 -4.71 118.70 114.94 1whg s GLU 89 Ca 0.34 -2.27 -0.13 0.00 0.02 0.00 0.00 54.97 52.93 1whg s GLU 89 Cb 0.02 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 31.11 1whg s GLU 89 CO 0.18 -1.05 0.32 0.00 0.02 0.00 0.00 175.26 174.72 1whg s GLN 91 N -3.84 0.28 0.54 0.00 2.00 -1.26 -4.66 119.66 112.72 1whg s GLN 91 Ca 0.05 1.34 -0.19 0.00 -2.00 0.00 0.00 55.36 54.55 1whg s GLN 91 Cb 0.03 -1.66 -0.06 0.00 0.80 0.00 0.00 33.01 32.12 1whg s GLN 91 CO -0.11 -3.07 1.11 0.00 -0.50 0.00 0.00 175.29 172.73 1whg s ALA 92 N -2.56 2.71 -1.10 1.58 0.00 -1.26 -3.87 121.76 117.25 1whg s ALA 92 Ca 0.68 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 1whg s ALA 92 Cb -0.24 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1whg s ALA 92 CO 0.60 -0.73 0.94 1.63 0.00 0.00 0.00 175.76 178.20 1whg n LYS 93 N -1.33 -4.24 0.14 0.00 5.02 -1.06 -4.90 118.16 111.80 1whg n LYS 93 Ca 0.11 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1whg n LYS 93 Cb 0.51 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.61 -2.86 -3.10 2.13 4.01 -1.23 -2.62 117.16 109.88 1whg n TYR 94 Ca -0.17 0.71 -0.45 0.00 -0.16 0.00 0.00 57.90 57.83 1whg n TYR 94 Cb 0.64 1.65 -0.04 0.00 -0.31 0.00 0.00 39.34 41.28 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 -3.77 1.86 0.27 2.72 0.00 -1.25 -3.05 107.32 104.10 1whg s GLY 95 Ca 0.00 -2.39 -0.23 0.00 0.00 0.00 0.00 44.72 42.10 1whg s GLY 95 CO 0.00 1.62 0.83 0.00 0.00 0.00 0.00 173.10 175.55 1whg s ALA 96 N 2.49 3.32 -0.30 3.20 0.00 -0.98 -4.10 121.76 125.38 1whg s ALA 96 Ca 0.15 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 1whg s ALA 96 Cb -0.20 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1whg s ALA 96 CO 0.03 0.26 0.61 -0.06 0.00 0.00 0.00 175.76 176.60 1whg s PHE 97 N -1.56 3.22 0.50 0.00 0.08 -1.26 -2.96 117.98 116.00 1whg s PHE 97 Ca 0.46 0.57 0.02 0.00 0.12 0.00 0.00 56.93 58.09 1whg s PHE 97 Cb -0.18 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1whg s PHE 97 CO 0.22 -0.46 0.02 0.14 -0.10 0.00 0.00 175.22 175.04 1whg s VAL 98 N 2.57 1.10 0.03 -0.44 -7.23 -0.55 -4.96 120.40 110.92 1whg s VAL 98 Ca 0.24 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1whg s VAL 98 Cb -0.15 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1whg s VAL 98 CO 0.12 0.00 0.15 -0.54 -0.31 0.00 0.00 175.10 174.51 1whg s LYS 99 N -3.85 3.25 0.20 4.82 -0.14 -1.26 -0.17 119.74 122.59 1whg s LYS 99 Ca 0.08 -0.47 -0.16 0.00 -1.36 0.00 0.00 55.97 54.06 1whg s LYS 99 Cb 0.02 -2.95 0.20 0.00 -1.68 0.00 0.00 37.83 33.41 1whg s LYS 99 CO 0.04 0.63 1.61 -1.35 -0.76 0.00 0.00 175.35 175.52 1whg h PRO 100 N 3.55 -0.07 -0.16 -1.68 0.11 -1.91 1.55 132.00 133.39 1whg h PRO 100 Ca -0.47 0.01 0.05 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 0.69 -0.05 0.23 1.03 -0.21 0.00 0.00 178.00 179.69 1whg h SER 101 N -0.08 0.00 0.76 -2.05 0.87 -1.93 0.88 113.55 112.00 1whg h SER 101 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1whg h SER 101 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1whg h SER 101 CO -0.67 0.00 -0.65 0.00 -0.53 0.00 0.00 176.83 174.97 1whg n ALA 102 N -2.23 3.06 -2.53 6.23 0.00 0.51 -4.86 120.51 120.68 1whg n ALA 102 Ca 0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 1whg n ALA 102 Cb 0.34 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.15 5.05 -0.23 0.00 1.01 0.30 -2.17 120.40 121.21 1whg s VAL 103 Ca 0.07 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1whg s VAL 103 Cb 0.14 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.86 1whg s VAL 103 CO 0.73 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 175.42 1whg s THR 104 N -0.90 1.71 0.03 3.92 2.01 -0.04 -4.92 115.64 117.45 1whg s THR 104 Ca 0.24 -1.29 -0.27 0.00 0.31 0.00 0.00 61.69 60.68 1whg s THR 104 Cb -0.16 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1whg s THR 104 CO 0.13 -0.04 0.85 -0.69 -0.69 0.00 0.00 174.62 174.18 1whg s VAL 105 N 1.32 4.75 0.02 3.82 1.01 -1.26 0.25 120.40 130.32 1whg s VAL 105 Ca -0.06 1.80 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 1whg s VAL 105 Cb -0.19 -4.20 -0.31 0.00 0.00 0.00 0.00 36.38 31.68 1whg s VAL 105 CO -0.06 0.29 1.03 1.23 0.00 0.00 0.00 175.10 177.59 1whg h GLY 106 N 6.04 0.60 -4.97 4.51 0.00 -1.95 -3.47 103.07 103.82 1whg h GLY 106 Ca -0.43 -1.36 -0.18 0.00 0.00 0.00 0.00 47.33 45.36 1whg h GLY 106 CO 0.73 1.19 -0.70 -0.35 0.00 0.00 0.00 176.54 177.40 1whg s ASP 107 N -7.35 0.31 0.14 0.19 -1.08 -1.26 -5.16 116.67 102.47 1whg s ASP 107 Ca -0.10 -0.49 0.01 0.00 -0.52 0.00 0.00 52.55 51.44 1whg s ASP 107 Cb 0.04 0.09 -0.04 0.00 -1.46 0.00 0.00 42.92 41.55 1whg s ASP 107 CO 0.91 -0.28 0.30 -0.55 0.52 0.00 0.00 175.17 176.07 1whg s SER 108 N -1.43 6.36 -0.34 -0.34 0.15 -1.26 -5.00 113.70 111.85 1whg s SER 108 Ca -0.15 0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.82 1whg s SER 108 Cb -0.10 -1.96 0.16 0.00 -1.71 0.00 0.00 66.02 62.42 1whg s SER 108 CO -0.01 0.05 0.45 -0.83 1.20 0.00 0.00 173.24 174.10 1whg s GLY 109 N -3.02 -0.56 0.04 9.45 0.00 -1.26 -5.05 107.32 106.92 1whg s GLY 109 Ca 0.36 -0.16 -0.33 0.00 0.00 0.00 0.00 44.72 44.60 1whg s GLY 109 CO 0.28 3.10 1.42 -0.56 0.00 0.00 0.00 173.10 177.34 1whg h PRO 110 N 7.54 -1.03 0.00 2.90 0.13 -1.98 -3.48 132.00 136.08 1whg h PRO 110 Ca -0.01 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1whg h PRO 110 Cb 1.11 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1whg h PRO 110 CO 0.20 -0.68 0.00 -1.13 -0.23 0.00 0.00 178.00 176.17 1whg n SER 111 N -5.51 0.00 -2.42 1.44 3.41 -1.26 -4.98 113.62 104.30 1whg n SER 111 Ca -0.14 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.19 1whg n SER 111 Cb 0.43 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1whg n SER 111 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1whg n SER 112 N -1.58 6.75 0.00 4.04 2.88 -1.26 -5.33 113.62 119.12 1whg n SER 112 Ca 0.00 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 1whg n SER 112 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1whg n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42