#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 -8.50 -1.44 1.61 2.88 -1.26 -5.04 113.62 101.87 1whg n SER 2 Ca 0.00 1.11 -0.03 0.00 -1.33 0.00 0.00 58.87 58.61 1whg n SER 2 Cb 0.00 -4.71 -0.01 0.00 -0.75 0.00 0.00 64.21 58.74 1whg n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1whg n SER 3 N -4.31 0.09 -3.62 -3.46 3.41 -1.26 -5.18 113.62 99.29 1whg n SER 3 Ca -0.05 -1.34 -0.08 0.00 -0.26 0.00 0.00 58.87 57.14 1whg n SER 3 Cb 0.67 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.81 1whg n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1whg s GLY 4 N -1.37 -0.08 -0.00 5.00 0.00 -1.26 -5.09 107.32 104.52 1whg s GLY 4 Ca 0.06 2.57 -0.03 0.00 0.00 0.00 0.00 44.72 47.32 1whg s GLY 4 CO 0.04 1.42 0.67 0.23 0.00 0.00 0.00 173.10 175.46 1whg h SER 5 N 3.05 -0.11 -3.43 1.64 0.87 -2.02 -3.38 113.55 110.18 1whg h SER 5 Ca -0.21 0.00 -0.78 0.00 -1.23 0.00 0.00 61.79 59.57 1whg h SER 5 Cb 1.18 0.03 -0.29 0.00 -0.44 0.00 0.00 62.40 62.87 1whg h SER 5 CO 0.22 -0.05 0.41 -0.24 -0.53 0.00 0.00 176.83 176.64 1whg n SER 6 N -2.50 5.43 -3.63 6.23 2.88 -1.26 -4.97 113.62 115.80 1whg n SER 6 Ca -0.02 -3.11 -0.12 0.00 -1.33 0.00 0.00 58.87 54.30 1whg n SER 6 Cb 0.05 -1.31 -0.07 0.00 -0.75 0.00 0.00 64.21 62.13 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 0.65 -0.45 -0.33 0.46 0.00 -1.26 -5.05 107.32 101.34 1whg s GLY 7 Ca 0.31 2.23 -0.04 0.00 0.00 0.00 0.00 44.72 47.22 1whg s GLY 7 CO -0.06 1.84 0.15 -2.01 0.00 0.00 0.00 173.10 173.02 1whg n ASN 8 N 2.74 -7.94 0.09 1.64 4.05 -1.26 -4.89 115.26 109.69 1whg n ASN 8 Ca -0.14 1.20 -0.11 0.00 0.45 0.00 0.00 54.58 55.97 1whg n ASN 8 Cb 0.56 -5.30 -0.08 0.00 1.23 0.00 0.00 39.78 36.19 1whg n ASN 8 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1whg h GLU 9 N 2.75 0.21 -0.25 1.20 4.11 -1.99 -3.25 114.58 117.37 1whg h GLU 9 Ca 0.00 -0.29 -0.11 0.00 0.07 0.00 0.00 59.36 59.03 1whg h GLU 9 Cb 0.25 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1whg h GLU 9 CO 0.12 1.07 -0.32 0.93 0.07 0.00 0.00 179.01 180.88 1whg h GLU 10 N 0.09 0.52 0.00 1.06 5.08 -2.02 -2.70 114.58 116.61 1whg h GLU 10 Ca -0.07 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1whg h GLU 10 Cb 1.73 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1whg h GLU 10 CO 0.16 0.78 -0.20 1.25 -1.00 0.00 0.00 179.01 180.00 1whg h LEU 11 N 0.44 0.00 -1.89 1.33 5.85 -1.92 -1.52 115.31 117.60 1whg h LEU 11 Ca 0.05 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1whg h LEU 11 Cb 0.78 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1whg h LEU 11 CO 0.06 0.20 0.31 -0.09 -0.34 0.00 0.00 178.44 178.58 1whg h ARG 12 N 0.00 0.12 0.00 1.25 9.65 -1.51 0.26 114.38 124.15 1whg h ARG 12 Ca -0.00 -0.01 -0.35 0.00 -1.10 0.00 0.00 59.98 58.52 1whg h ARG 12 Cb 0.43 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 1whg h ARG 12 CO 0.03 0.08 -2.31 0.00 2.80 0.00 0.00 179.97 180.56 1whg n ALA 13 N -2.58 1.52 0.17 2.80 0.00 -0.95 -4.37 120.51 117.10 1whg n ALA 13 Ca 0.07 -1.22 0.02 0.00 0.00 0.00 0.00 53.44 52.31 1whg n ALA 13 Cb 0.43 -0.14 0.31 0.00 0.00 0.00 0.00 19.45 20.05 1whg n ALA 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whg h GLN 14 N 0.00 0.00 -1.22 0.00 1.08 -0.83 -3.02 115.11 111.12 1whg h GLN 14 Ca -0.52 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.15 1whg h GLN 14 Cb 2.12 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 29.33 1whg h GLN 14 CO 0.01 0.44 0.68 1.04 -0.95 0.00 0.00 178.83 180.05 1whg n GLN 15 N -3.91 2.31 -0.03 1.46 6.02 0.89 -3.53 117.38 120.59 1whg n GLN 15 Ca -0.01 -2.55 -0.04 0.00 -0.01 0.00 0.00 57.00 54.39 1whg n GLN 15 Cb 0.48 -2.00 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 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 -0.38 0.66 -0.03 -1.09 1.02 -1.14 -4.69 120.64 115.00 1whg n GLU 16 Ca 0.49 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1whg n GLU 16 Cb 0.62 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.58 1.97 0.21 0.62 0.00 -1.26 -4.59 120.51 114.88 1whg n ALA 17 Ca -0.09 -0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1whg n ALA 17 Cb 0.61 0.38 0.62 0.00 0.00 0.00 0.00 19.45 21.06 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 -0.03 0.06 -0.96 0.00 5.08 -1.89 -1.61 114.58 115.23 1whg h GLU 18 Ca -0.12 -0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.58 1whg h GLU 18 Cb 1.18 -0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 1whg h GLU 18 CO -0.03 0.04 0.66 0.00 -1.00 0.00 0.00 179.01 178.68 1whg n ALA 19 N -2.54 6.12 0.00 3.43 0.00 -1.26 -3.78 120.51 122.48 1whg n ALA 19 Ca -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1whg n ALA 19 Cb 0.14 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 2.46 0.50 0.00 0.00 -0.65 -4.88 120.51 117.03 1whg n ALA 20 Ca 0.60 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.16 1whg n ALA 20 Cb 0.77 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 -0.94 0.00 4.20 -1.65 -3.30 115.11 113.42 1whg h GLN 21 Ca 0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1whg h GLN 21 Cb 0.00 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.58 1whg h GLN 21 CO 0.00 0.00 0.44 0.54 -0.67 0.00 0.00 178.83 179.14 1whg n ARG 22 N -2.29 2.41 -1.12 1.46 1.74 -1.25 -4.03 116.66 113.58 1whg n ARG 22 Ca 0.03 -2.46 0.03 0.00 -0.77 0.00 0.00 57.85 54.69 1whg n ARG 22 Cb 0.46 -1.99 0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1whg n ARG 22 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1whg n LEU 23 N -0.59 0.85 -0.00 0.55 7.94 -1.24 -4.83 117.00 119.68 1whg n LEU 23 Ca 0.44 -1.85 -0.14 0.00 -1.11 0.00 0.00 56.01 53.34 1whg n LEU 23 Cb 1.37 -0.04 -0.14 0.00 0.53 0.00 0.00 43.42 45.14 1whg n LEU 23 CO 0.45 0.49 -0.59 0.28 -1.11 0.00 0.00 177.39 176.90 1whg h SER 24 N 0.68 0.20 0.25 1.96 0.02 -1.80 -3.17 113.55 111.69 1whg h SER 24 Ca -0.14 -0.41 -0.12 0.00 -0.84 0.00 0.00 61.79 60.27 1whg h SER 24 Cb 1.68 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 1whg h SER 24 CO 0.06 1.37 -0.47 -0.33 -1.14 0.00 0.00 176.83 176.32 1whg h GLU 25 N 0.03 0.27 0.01 3.45 5.08 -1.89 -1.98 114.58 119.56 1whg h GLU 25 Ca -0.33 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 57.68 1whg h GLU 25 Cb 2.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 1whg h GLU 25 CO 0.09 0.69 -0.91 0.93 -1.00 0.00 0.00 179.01 178.82 1whg h GLU 26 N 0.22 0.23 -0.24 2.33 5.08 -1.91 -2.97 114.58 117.32 1whg h GLU 26 Ca 0.01 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 1whg h GLU 26 Cb 0.92 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1whg h GLU 26 CO 0.07 0.99 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.57 1whg h LYS 27 N 0.13 0.61 0.69 2.33 3.64 -1.50 -1.91 116.57 120.55 1whg h LYS 27 Ca -0.05 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1whg h LYS 27 Cb 1.55 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1whg h LYS 27 CO 0.14 0.94 -0.36 0.00 -2.27 0.00 0.00 179.45 177.91 1whg h ALA 28 N 0.66 -0.96 -0.32 5.00 0.00 -1.42 -0.13 119.26 122.09 1whg h ALA 28 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1whg h ALA 28 Cb 0.85 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1whg h ALA 28 CO 0.07 -1.05 0.22 -0.56 0.00 0.00 0.00 179.25 177.93 1whg h GLN 29 N -0.96 0.22 0.00 0.00 3.07 -1.60 -0.06 115.11 115.79 1whg h GLN 29 Ca -0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 58.65 58.55 1whg h GLN 29 Cb 0.75 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 1whg h GLN 29 CO 0.13 0.15 -0.40 0.00 0.09 0.00 0.00 178.83 178.81 1whg h ALA 30 N 1.82 0.94 -0.86 0.06 0.00 -0.90 -3.03 119.26 117.29 1whg h ALA 30 Ca 0.14 -0.36 -0.46 0.00 0.00 0.00 0.00 54.91 54.23 1whg h ALA 30 Cb 0.27 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.73 1whg h ALA 30 CO -0.03 0.50 0.59 0.45 0.00 0.00 0.00 179.25 180.76 1whg n SER 31 N -3.48 4.09 0.00 0.00 2.88 -0.04 -4.25 113.62 112.82 1whg n SER 31 Ca 0.00 -3.41 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 1whg n SER 31 Cb 0.54 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.88 2.54 -2.19 -1.46 0.00 -1.15 -5.02 120.51 112.36 1whg n ALA 32 Ca 0.52 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.53 1whg n ALA 32 Cb 1.41 0.23 -0.02 0.00 0.00 0.00 0.00 19.45 21.07 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 -1.76 3.74 0.77 0.00 1.01 -1.21 -5.00 121.20 118.76 1whg s ILE 33 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.30 1whg s ILE 33 Cb 0.00 -3.92 0.19 0.00 0.01 0.00 0.00 42.46 38.74 1whg s ILE 33 CO 0.00 -0.53 0.76 -1.20 0.00 0.00 0.00 174.94 173.97 1whg n SER 34 N 9.13 -1.31 -4.47 3.58 7.64 -1.26 -4.97 113.62 121.96 1whg n SER 34 Ca 0.19 -1.03 -0.33 0.00 1.01 0.00 0.00 58.87 58.71 1whg n SER 34 Cb 0.47 -0.67 -0.13 0.00 -1.01 0.00 0.00 64.21 62.87 1whg n SER 34 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1whg s VAL 35 N -2.45 3.34 0.00 0.44 1.01 -1.26 -4.60 120.40 116.88 1whg s VAL 35 Ca 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1whg s VAL 35 Cb -0.04 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1whg s VAL 35 CO 0.36 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.62 1whg n GLY 36 N 2.92 1.02 3.04 4.51 0.00 0.11 -4.68 105.19 112.12 1whg n GLY 36 Ca -0.18 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.59 1.21 0.18 1.61 0.01 -1.26 -3.99 113.70 108.86 1whg s SER 37 Ca 0.00 -0.19 -0.31 0.00 1.31 0.00 0.00 55.95 56.76 1whg s SER 37 Cb 0.00 -0.16 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 1whg s SER 37 CO 0.00 0.12 1.53 -0.13 0.41 0.00 0.00 173.24 175.17 1whg s ARG 38 N -0.18 4.23 -0.08 12.44 0.52 -1.26 -2.06 118.95 132.56 1whg s ARG 38 Ca 0.03 2.34 -0.06 0.00 -0.52 0.00 0.00 55.73 57.51 1whg s ARG 38 Cb -0.05 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.30 1whg s ARG 38 CO -0.00 -0.56 0.21 0.00 0.02 0.00 0.00 175.30 174.96 1whg s GLU 40 N 0.39 4.58 -0.06 0.00 2.02 0.29 -2.46 118.70 123.46 1whg s GLU 40 Ca -0.02 1.89 0.04 0.00 0.02 0.00 0.00 54.97 56.89 1whg s GLU 40 Cb -0.04 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1whg s GLU 40 CO -0.02 0.13 -0.17 0.08 0.02 0.00 0.00 175.26 175.30 1whg s VAL 41 N -1.12 2.78 -0.23 2.63 1.01 -1.18 0.67 120.40 124.96 1whg s VAL 41 Ca 0.46 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1whg s VAL 41 Cb -0.34 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.03 1whg s VAL 41 CO 0.43 0.57 0.01 -0.60 0.00 0.00 0.00 175.10 175.52 1whg s ARG 42 N -0.41 1.01 0.07 2.72 3.00 0.34 -3.53 118.95 122.15 1whg s ARG 42 Ca 0.04 -0.75 -0.15 0.00 -1.00 0.00 0.00 55.73 53.87 1whg s ARG 42 Cb -0.12 -2.28 0.03 0.00 0.00 0.00 0.00 34.95 32.58 1whg s ARG 42 CO 0.02 -0.69 0.36 0.00 0.00 0.00 0.00 175.30 174.99 1whg s ALA 43 N 1.64 -0.82 -0.85 6.12 0.00 -1.26 -4.71 121.76 121.88 1whg s ALA 43 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 1whg s ALA 43 Cb -0.18 0.44 -0.08 0.00 0.00 0.00 0.00 23.12 23.30 1whg s ALA 43 CO -0.10 -0.50 2.02 -0.35 0.00 0.00 0.00 175.76 176.83 1whg n PRO 44 N 0.28 1.85 0.00 0.00 -0.04 -1.26 -3.83 135.00 132.00 1whg n PRO 44 Ca -0.18 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1whg n PRO 44 Cb 0.61 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1whg n PRO 44 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1whg n ASP 45 N 5.25 1.58 0.05 3.54 8.00 -1.26 -5.07 116.55 128.64 1whg n ASP 45 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1whg n ASP 45 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1whg n HIS 46 N -2.56 -2.71 -1.07 1.24 -0.00 -1.25 -5.18 115.22 103.68 1whg n HIS 46 Ca 0.00 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1whg n HIS 46 Cb 0.38 1.23 0.00 0.00 -0.12 0.00 0.00 29.99 31.48 1whg n HIS 46 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1whg n SER 47 N -2.72 0.00 -4.73 0.26 7.64 -1.26 -5.09 113.62 107.72 1whg n SER 47 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1whg n SER 47 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1whg s LEU 48 N 0.00 4.38 0.33 -3.43 1.43 -1.26 -4.77 118.68 115.36 1whg s LEU 48 Ca 0.00 2.52 0.06 0.00 -1.03 0.00 0.00 54.13 55.68 1whg s LEU 48 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1whg s LEU 48 CO 0.00 -0.70 0.23 -0.13 0.23 0.00 0.00 176.35 175.98 1whg s ARG 49 N 0.49 1.71 -0.39 1.70 0.52 -1.23 -5.00 118.95 116.75 1whg s ARG 49 Ca 0.63 -1.99 -0.04 0.00 -0.52 0.00 0.00 55.73 53.81 1whg s ARG 49 Cb -0.40 0.14 0.09 0.00 0.52 0.00 0.00 34.95 35.30 1whg s ARG 49 CO 0.36 -0.58 0.17 1.03 0.02 0.00 0.00 175.30 176.30 1whg s ARG 50 N -3.60 2.28 0.23 3.54 1.81 -1.26 -3.08 118.95 118.87 1whg s ARG 50 Ca 0.38 -1.58 0.01 0.00 -1.72 0.00 0.00 55.73 52.81 1whg s ARG 50 Cb 0.03 -3.55 0.01 0.00 -0.45 0.00 0.00 34.95 30.99 1whg s ARG 50 CO 0.23 -0.93 0.11 0.41 -0.68 0.00 0.00 175.30 174.44 1whg n GLY 51 N 4.70 3.31 2.93 -3.53 0.00 -1.03 -4.51 105.19 107.05 1whg n GLY 51 Ca -0.07 -2.25 -0.15 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.41 0.30 0.09 2.61 2.01 -1.12 -0.74 115.64 117.37 1whg s THR 52 Ca 0.08 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.62 1whg s THR 52 Cb -0.01 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1whg s THR 52 CO 0.05 0.09 1.25 -0.69 -0.69 0.00 0.00 174.62 174.63 1whg s VAL 53 N -0.05 3.80 -0.03 3.82 1.01 -0.87 -2.96 120.40 125.12 1whg s VAL 53 Ca 0.01 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 1whg s VAL 53 Cb -0.02 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1whg s VAL 53 CO -0.00 0.11 -0.03 0.23 0.00 0.00 0.00 175.10 175.41 1whg n MET 54 N 3.78 0.06 -3.82 2.72 2.81 -0.04 0.09 117.12 122.73 1whg n MET 54 Ca 0.09 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.87 1whg n MET 54 Cb 0.45 -0.81 -0.14 0.00 -0.71 0.00 0.00 33.22 32.01 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 -0.06 -0.05 2.03 5.04 -1.25 -4.82 117.35 116.19 1whg s TYR 55 Ca -0.04 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.80 1whg s TYR 55 Cb 0.01 -0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.30 1whg s TYR 55 CO 0.05 -0.06 -0.03 0.08 -1.34 0.00 0.00 175.55 174.25 1whg s VAL 56 N 0.41 0.44 -5.00 3.14 1.01 -1.26 -0.07 120.40 119.07 1whg s VAL 56 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1whg s VAL 56 Cb -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1whg s VAL 56 CO -0.01 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1whg n GLY 57 N 4.31 -0.37 3.79 4.51 0.00 -0.84 -5.00 105.19 111.60 1whg n GLY 57 Ca -0.21 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 2.47 0.50 0.99 1.43 -1.26 0.25 118.68 123.05 1whg s LEU 58 Ca 0.00 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1whg s LEU 58 Cb 0.00 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1whg s LEU 58 CO 0.00 -2.12 0.01 0.42 0.23 0.00 0.00 176.35 174.88 1whg s THR 59 N -3.16 1.29 -0.23 5.49 -4.23 -1.26 -4.79 115.64 108.75 1whg s THR 59 Ca 0.61 -1.99 0.12 0.00 -1.18 0.00 0.00 61.69 59.25 1whg s THR 59 Cb -0.15 -2.29 0.45 0.00 1.34 0.00 0.00 72.50 71.86 1whg s THR 59 CO 0.54 0.00 1.34 0.47 -0.54 0.00 0.00 174.62 176.44 1whg n ASP 60 N -1.23 2.42 0.00 3.99 8.00 -1.26 -4.69 116.55 123.78 1whg n ASP 60 Ca -0.17 -3.62 0.00 0.00 0.71 0.00 0.00 54.79 51.71 1whg n ASP 60 Cb 0.67 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1whg n ASP 60 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1whg n PHE 61 N -1.09 -0.49 -4.27 1.24 -1.74 -1.26 -4.94 117.46 104.91 1whg n PHE 61 Ca 0.25 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.84 1whg n PHE 61 Cb 0.86 0.22 -0.10 0.00 1.52 0.00 0.00 39.48 41.97 1whg n PHE 61 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1whg s LYS 62 N -1.43 2.05 0.98 3.97 -0.14 -1.26 -4.84 119.74 119.06 1whg s LYS 62 Ca 0.00 -1.05 -0.16 0.00 -1.36 0.00 0.00 55.97 53.39 1whg s LYS 62 Cb 0.00 -2.26 0.24 0.00 -1.68 0.00 0.00 37.83 34.13 1whg s LYS 62 CO 0.00 0.50 0.97 -0.35 -0.76 0.00 0.00 175.35 175.71 1whg n PRO 63 N 0.79 -2.35 -1.14 -1.68 -0.04 -1.26 -4.19 135.00 125.13 1whg n PRO 63 Ca -0.14 -1.53 0.16 0.00 -0.04 0.00 0.00 63.50 61.94 1whg n PRO 63 Cb 0.52 -1.31 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.25 -1.67 3.88 0.55 0.00 -1.26 -4.82 105.19 98.62 1whg n GLY 64 Ca 0.13 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.75 3.44 0.02 1.61 2.02 -1.26 -4.21 117.35 117.23 1whg s TYR 65 Ca 0.00 0.89 0.04 0.00 -0.37 0.00 0.00 57.07 57.63 1whg s TYR 65 Cb 0.00 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1whg s TYR 65 CO 0.00 0.16 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.42 1whg s TRP 66 N -2.01 1.16 -0.20 2.71 0.52 0.14 -4.62 118.94 116.64 1whg s TRP 66 Ca 0.48 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.30 1whg s TRP 66 Cb -0.11 -0.70 0.04 0.00 -1.15 0.00 0.00 33.47 31.54 1whg s TRP 66 CO 0.25 0.01 -0.15 0.08 0.02 0.00 0.00 176.95 177.16 1whg s VAL 67 N -0.69 1.96 -0.22 4.03 1.01 0.20 -1.98 120.40 124.70 1whg s VAL 67 Ca 0.02 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 1whg s VAL 67 Cb -0.07 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1whg s VAL 67 CO 0.01 0.31 1.13 -0.83 0.00 0.00 0.00 175.10 175.71 1whg s GLY 68 N 1.28 1.65 -0.11 4.51 0.00 0.90 -0.61 107.32 114.94 1whg s GLY 68 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1whg s GLY 68 CO -0.10 2.32 -0.09 0.14 0.00 0.00 0.00 173.10 175.37 1whg s VAL 69 N 3.41 1.13 -0.00 1.40 1.01 -0.12 -0.86 120.40 126.37 1whg s VAL 69 Ca 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1whg s VAL 69 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1whg s VAL 69 CO 0.11 0.38 0.16 -0.60 0.00 0.00 0.00 175.10 175.14 1whg s ARG 70 N 1.46 3.33 0.21 2.72 3.52 -1.15 -1.46 118.95 127.58 1whg s ARG 70 Ca 0.01 -0.38 0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1whg s ARG 70 Cb -0.13 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1whg s ARG 70 CO -0.06 0.66 0.11 0.71 -0.81 0.00 0.00 175.30 175.91 1whg s TYR 71 N -1.31 3.01 0.20 5.12 2.02 -0.53 -2.81 117.35 123.05 1whg s TYR 71 Ca 0.27 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.79 1whg s TYR 71 Cb -0.12 -1.41 0.13 0.00 -0.40 0.00 0.00 41.96 40.16 1whg s TYR 71 CO 0.18 0.53 1.70 -0.44 -1.57 0.00 0.00 175.55 175.96 1whg h ASP 72 N 2.12 1.05 -2.74 2.29 5.19 -1.91 -3.44 116.42 118.98 1whg h ASP 72 Ca -0.47 -0.25 -0.57 0.00 -0.62 0.00 0.00 57.03 55.11 1whg h ASP 72 Cb 1.22 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.42 1whg h ASP 72 CO 0.61 1.04 -0.47 -1.61 -3.12 0.00 0.00 179.24 175.69 1whg s GLU 73 N -5.19 3.45 -1.01 3.56 0.41 -1.26 -5.01 118.70 113.64 1whg s GLU 73 Ca -0.12 -0.50 -0.24 0.00 -0.41 0.00 0.00 54.97 53.70 1whg s GLU 73 Cb 0.14 -2.99 -0.06 0.00 -1.78 0.00 0.00 34.13 29.45 1whg s GLU 73 CO 0.85 0.55 1.93 -1.25 -0.49 0.00 0.00 175.26 176.84 1whg s PRO 74 N -2.92 2.58 -0.03 0.39 0.04 -1.26 -4.51 135.00 129.29 1whg s PRO 74 Ca 0.35 -0.66 0.16 0.00 0.04 0.00 0.00 61.00 60.90 1whg s PRO 74 Cb -0.12 -5.14 0.29 0.00 0.04 0.00 0.00 34.50 29.57 1whg s PRO 74 CO 0.28 -3.55 1.13 1.28 0.04 0.00 0.00 177.00 176.18 1whg n LEU 75 N 13.90 0.26 0.00 -3.56 4.77 -0.77 -4.96 117.00 126.64 1whg n LEU 75 Ca 0.42 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 1whg n LEU 75 Cb 0.47 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1whg n LEU 75 CO 0.63 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1whg n GLY 76 N 0.16 1.21 1.83 -0.72 0.00 -0.66 -4.93 105.19 102.08 1whg n GLY 76 Ca -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.58 1.61 5.02 -1.26 -4.70 118.16 116.24 1whg n LYS 77 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1whg n LYS 77 Cb 0.00 -0.04 0.06 0.00 -0.02 0.00 0.00 35.03 35.03 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 -4.57 4.92 -0.12 4.39 0.02 -1.22 -4.40 114.94 113.96 1whg s ASN 78 Ca 0.00 -0.10 0.04 0.00 -1.02 0.00 0.00 52.86 51.78 1whg s ASN 78 Cb 0.00 -0.59 -0.10 0.00 0.02 0.00 0.00 41.25 40.58 1whg s ASN 78 CO 0.00 -1.43 -0.05 -0.90 0.02 0.00 0.00 177.10 174.74 1whg n ASP 79 N -2.56 2.76 0.00 -1.22 5.68 -1.25 -2.93 116.55 117.04 1whg n ASP 79 Ca 0.10 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1whg n ASP 79 Cb 0.60 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 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 2.66 1.35 3.26 6.12 0.00 -1.26 -4.26 105.19 113.06 1whg n GLY 80 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.07 4.28 -0.14 1.61 0.01 -1.26 -1.86 113.70 116.27 1whg s SER 81 Ca 0.00 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1whg s SER 81 Cb 0.00 -1.70 0.02 0.00 0.21 0.00 0.00 66.02 64.55 1whg s SER 81 CO 0.00 -0.07 -0.16 -0.69 0.41 0.00 0.00 173.24 172.73 1whg s VAL 82 N 1.41 1.67 -1.80 3.43 1.01 0.37 -4.69 120.40 121.79 1whg s VAL 82 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1whg s VAL 82 Cb -0.15 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1whg s VAL 82 CO -0.04 0.47 0.00 0.59 0.00 0.00 0.00 175.10 176.12 1whg n ASN 83 N 4.58 -5.74 0.00 3.32 5.03 -1.26 -1.58 115.26 119.61 1whg n ASN 83 Ca -0.18 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.33 1whg n ASN 83 Cb 0.50 -4.80 0.00 0.00 -1.02 0.00 0.00 39.78 34.47 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 -0.94 2.87 3.75 7.41 0.00 -1.26 -5.03 105.19 111.99 1whg n GLY 84 Ca -0.24 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 4.51 -0.00 1.61 2.20 -0.62 -5.02 119.74 122.42 1whg s LYS 85 Ca 0.00 1.93 0.02 0.00 -0.36 0.00 0.00 55.97 57.56 1whg s LYS 85 Cb 0.00 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1whg s LYS 85 CO 0.00 -0.03 -0.04 0.50 -0.36 0.00 0.00 175.35 175.42 1whg s ARG 86 N -0.85 2.66 -0.01 4.03 3.52 -1.26 -0.48 118.95 126.55 1whg s ARG 86 Ca 0.50 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.43 1whg s ARG 86 Cb -0.34 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1whg s ARG 86 CO 0.41 0.62 -0.01 0.66 -0.81 0.00 0.00 175.30 176.17 1whg n TYR 87 N 1.54 0.00 -4.15 5.12 4.02 -0.78 -5.02 117.16 117.90 1whg n TYR 87 Ca -0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.57 1whg n TYR 87 Cb 0.53 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.76 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 -2.02 1.31 -0.32 -0.72 -0.12 -1.26 -4.47 117.98 110.39 1whg s PHE 88 Ca -0.01 -1.43 -0.03 0.00 -0.05 0.00 0.00 56.93 55.41 1whg s PHE 88 Cb 0.00 -0.28 0.06 0.00 -0.63 0.00 0.00 43.02 42.16 1whg s PHE 88 CO 0.02 -1.07 0.04 -1.21 -0.05 0.00 0.00 175.22 172.95 1whg s GLU 89 N -3.11 2.40 0.05 1.99 2.02 -1.26 -4.78 118.70 116.00 1whg s GLU 89 Ca 0.34 -1.32 -0.27 0.00 0.02 0.00 0.00 54.97 53.74 1whg s GLU 89 Cb 0.00 -3.27 0.09 0.00 0.10 0.00 0.00 34.13 31.06 1whg s GLU 89 CO 0.23 -0.68 1.20 0.00 0.02 0.00 0.00 175.26 176.03 1whg n GLN 91 N -0.78 0.63 -2.50 0.00 1.13 -1.26 -4.74 117.38 109.85 1whg n GLN 91 Ca 0.00 -0.30 -0.30 0.00 -1.94 0.00 0.00 57.00 54.47 1whg n GLN 91 Cb 0.59 -0.06 -0.01 0.00 0.11 0.00 0.00 30.24 30.87 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whg s ALA 92 N -2.66 3.27 -1.74 -1.58 0.00 -1.26 -3.98 121.76 113.82 1whg s ALA 92 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1whg s ALA 92 Cb -0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1whg s ALA 92 CO 0.05 -0.31 0.15 1.63 0.00 0.00 0.00 175.76 177.28 1whg n LYS 93 N -1.98 -2.49 0.00 0.00 4.01 -1.15 -4.77 118.16 111.78 1whg n LYS 93 Ca 0.03 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.83 1whg n LYS 93 Cb 0.54 -5.71 0.00 0.00 -0.51 0.00 0.00 35.03 29.35 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 -4.14 0.00 -3.50 2.13 4.01 -1.25 -1.66 117.16 112.75 1whg n TYR 94 Ca -0.22 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 1whg n TYR 94 Cb 0.67 0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 39.93 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 -4.41 2.33 0.07 2.72 0.00 -1.22 -1.45 107.32 105.35 1whg s GLY 95 Ca 0.00 -2.92 -0.16 0.00 0.00 0.00 0.00 44.72 41.64 1whg s GLY 95 CO 0.00 1.16 0.49 0.00 0.00 0.00 0.00 173.10 174.75 1whg s ALA 96 N 0.73 3.64 -0.44 3.20 0.00 -0.54 -3.40 121.76 124.95 1whg s ALA 96 Ca 0.11 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 1whg s ALA 96 Cb -0.21 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.45 1whg s ALA 96 CO -0.03 0.46 0.57 -0.06 0.00 0.00 0.00 175.76 176.70 1whg s PHE 97 N -1.21 3.10 0.27 0.00 0.08 -1.26 -0.95 117.98 118.01 1whg s PHE 97 Ca 0.30 -0.20 0.10 0.00 0.12 0.00 0.00 56.93 57.24 1whg s PHE 97 Cb -0.17 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1whg s PHE 97 CO 0.17 -0.83 -0.01 0.14 -0.10 0.00 0.00 175.22 174.59 1whg s VAL 98 N 2.58 3.42 0.27 -0.44 -7.23 0.22 -4.87 120.40 114.36 1whg s VAL 98 Ca 0.18 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1whg s VAL 98 Cb -0.15 -2.84 -0.08 0.00 0.56 0.00 0.00 36.38 33.86 1whg s VAL 98 CO 0.17 -0.37 0.71 -0.54 -0.31 0.00 0.00 175.10 174.76 1whg s LYS 99 N -3.67 4.10 0.21 4.82 -0.14 -1.26 0.61 119.74 124.40 1whg s LYS 99 Ca 0.31 0.73 -0.15 0.00 -1.36 0.00 0.00 55.97 55.50 1whg s LYS 99 Cb -0.06 -2.66 0.21 0.00 -1.68 0.00 0.00 37.83 33.64 1whg s LYS 99 CO 0.20 0.28 1.61 -1.35 -0.76 0.00 0.00 175.35 175.33 1whg h PRO 100 N 2.84 -0.06 -0.16 -1.68 0.11 -1.90 1.61 132.00 132.76 1whg h PRO 100 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1whg h PRO 100 Cb 1.18 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.65 -0.04 0.22 0.77 -0.21 0.00 0.00 178.00 179.40 1whg h SER 101 N -0.06 0.00 0.74 -2.05 0.02 -1.94 0.86 113.55 111.12 1whg h SER 101 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1whg h SER 101 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1whg h SER 101 CO -0.68 0.00 -0.66 0.00 -1.14 0.00 0.00 176.83 174.35 1whg n ALA 102 N -2.24 3.10 -2.90 3.77 0.00 0.52 -4.90 120.51 117.87 1whg n ALA 102 Ca 0.01 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 1whg n ALA 102 Cb 0.33 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.14 4.90 -0.21 0.00 1.01 0.30 -0.50 120.40 122.76 1whg s VAL 103 Ca 0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1whg s VAL 103 Cb 0.14 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 33.00 1whg s VAL 103 CO 0.73 -0.28 0.25 -0.89 0.00 0.00 0.00 175.10 174.91 1whg s THR 104 N -1.97 -0.38 0.33 3.92 2.01 0.21 -4.89 115.64 114.87 1whg s THR 104 Ca 0.33 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 1whg s THR 104 Cb -0.09 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 1whg s THR 104 CO 0.27 -0.18 1.13 -0.69 -0.69 0.00 0.00 174.62 174.46 1whg s VAL 105 N 2.37 3.35 -0.24 3.82 1.01 -1.26 0.10 120.40 129.56 1whg s VAL 105 Ca 0.08 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.41 1whg s VAL 105 Cb -0.16 -3.76 0.28 0.00 0.00 0.00 0.00 36.38 32.75 1whg s VAL 105 CO -0.13 0.22 1.24 0.61 0.00 0.00 0.00 175.10 177.05 1whg n GLY 106 N 0.89 1.18 2.12 4.51 0.00 -1.19 -4.88 105.19 107.83 1whg n GLY 106 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1whg n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whg n ASP 107 N -1.08 -2.26 -1.42 1.61 2.03 -1.22 -4.96 116.55 109.25 1whg n ASP 107 Ca -0.13 0.57 0.19 0.00 0.52 0.00 0.00 54.79 55.94 1whg n ASP 107 Cb 0.77 2.25 -0.05 0.00 -0.72 0.00 0.00 41.12 43.37 1whg n ASP 107 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1whg n SER 108 N -3.18 -8.43 -1.56 1.67 7.64 -1.26 -4.96 113.62 103.55 1whg n SER 108 Ca 0.00 0.59 -0.00 0.00 1.01 0.00 0.00 58.87 60.47 1whg n SER 108 Cb 0.00 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 1whg n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whg n GLY 109 N -4.19 -0.84 3.77 0.23 0.00 -1.26 -4.74 105.19 98.16 1whg n GLY 109 Ca 0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.01 3.33 0.05 1.61 0.04 -1.26 -4.82 135.00 132.94 1whg s PRO 110 Ca 0.01 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.56 1whg s PRO 110 Cb -0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1whg s PRO 110 CO 0.03 -0.86 0.15 -1.12 0.04 0.00 0.00 177.00 175.24 1whg s SER 111 N -1.84 0.12 -0.59 6.66 0.01 -1.26 -5.08 113.70 111.73 1whg s SER 111 Ca 0.72 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 57.42 1whg s SER 111 Cb -0.23 0.28 0.15 0.00 0.21 0.00 0.00 66.02 66.42 1whg s SER 111 CO 0.28 -0.58 0.42 -0.94 0.41 0.00 0.00 173.24 172.83 1whg s SER 112 N -2.31 5.48 0.00 2.44 1.04 -1.26 -5.01 113.70 114.07 1whg s SER 112 Ca -0.02 -2.57 0.00 0.00 0.48 0.00 0.00 55.95 53.84 1whg s SER 112 Cb 0.01 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1whg s SER 112 CO -0.06 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.30