#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whg h SER 2 N 0.00 0.00 -2.88 1.61 0.02 -2.10 -3.50 113.55 106.71 1whg h SER 2 Ca 0.00 -0.34 0.32 0.00 -0.84 0.00 0.00 61.79 60.93 1whg h SER 2 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1whg h SER 2 CO 0.00 0.83 -0.43 -1.20 -1.14 0.00 0.00 176.83 174.90 1whg n SER 3 N -4.65 -8.07 0.00 3.07 7.64 -1.26 -5.06 113.62 105.29 1whg n SER 3 Ca -0.09 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1whg n SER 3 Cb 0.28 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 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 -3.47 2.26 0.13 0.23 0.00 -1.26 -4.92 105.19 98.16 1whg n GLY 4 Ca 0.01 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1whg n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1whg h SER 5 N 0.00 0.37 -5.25 1.61 0.02 -2.08 -3.50 113.55 104.73 1whg h SER 5 Ca 0.00 -0.85 0.23 0.00 -0.84 0.00 0.00 61.79 60.33 1whg h SER 5 Cb 0.00 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 62.30 1whg h SER 5 CO 0.00 1.66 0.64 -0.55 -1.14 0.00 0.00 176.83 177.44 1whg s SER 6 N -7.04 -0.16 0.00 3.07 0.15 -1.26 -5.18 113.70 103.28 1whg s SER 6 Ca -0.21 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1whg s SER 6 Cb 0.05 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1whg s SER 6 CO 0.76 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1whg n GLY 7 N -0.40 4.11 3.72 9.45 0.00 -1.26 -5.13 105.19 115.69 1whg n GLY 7 Ca -0.07 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 1.00 6.21 -0.21 1.61 0.01 -1.26 -4.97 114.94 117.33 1whg s ASN 8 Ca 0.00 0.23 0.14 0.00 -0.71 0.00 0.00 52.86 52.53 1whg s ASN 8 Cb 0.00 -2.10 -0.23 0.00 0.41 0.00 0.00 41.25 39.33 1whg s ASN 8 CO 0.00 0.16 0.00 1.21 -1.51 0.00 0.00 177.10 176.96 1whg n GLU 9 N 3.63 0.71 -0.01 -0.60 4.07 -1.26 -4.35 120.64 122.82 1whg n GLU 9 Ca -0.16 0.02 -0.01 0.00 -0.06 0.00 0.00 57.16 56.96 1whg n GLU 9 Cb 0.52 -1.51 -0.01 0.00 -0.06 0.00 0.00 31.44 30.38 1whg n GLU 9 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1whg n GLU 10 N -2.85 0.04 0.24 5.31 -0.58 -1.26 -4.68 120.64 116.85 1whg n GLU 10 Ca -0.35 0.01 0.06 0.00 -0.42 0.00 0.00 57.16 56.46 1whg n GLU 10 Cb 1.12 -0.96 0.56 0.00 -0.57 0.00 0.00 31.44 31.59 1whg n GLU 10 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1whg h LEU 11 N -0.01 0.00 -2.13 -4.62 4.07 -1.96 0.34 115.31 111.01 1whg h LEU 11 Ca -0.03 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.99 1whg h LEU 11 Cb 1.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 1whg h LEU 11 CO -0.01 0.11 0.21 -0.09 -1.08 0.00 0.00 178.44 177.58 1whg h ARG 12 N 0.00 0.00 0.00 1.13 2.43 -1.83 0.13 114.38 116.24 1whg h ARG 12 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1whg h ARG 12 Cb 0.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1whg h ARG 12 CO 0.01 0.00 -1.66 0.00 -1.51 0.00 0.00 179.97 176.81 1whg n ALA 13 N -2.45 1.75 0.22 2.80 0.00 -0.68 -4.58 120.51 117.58 1whg n ALA 13 Ca 0.03 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.02 1whg n ALA 13 Cb 0.35 0.20 0.52 0.00 0.00 0.00 0.00 19.45 20.53 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 -1.07 0.00 5.75 -0.26 -2.52 115.11 117.01 1whg h GLN 14 Ca -0.26 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.70 1whg h GLN 14 Cb 1.43 0.00 -0.26 0.00 1.07 0.00 0.00 27.48 29.72 1whg h GLN 14 CO -0.03 0.22 0.69 1.04 -2.65 0.00 0.00 178.83 178.10 1whg n GLN 15 N -4.03 2.32 -0.00 1.69 1.13 0.44 -3.33 117.38 115.60 1whg n GLN 15 Ca -0.02 -2.78 -0.01 0.00 -1.94 0.00 0.00 57.00 52.25 1whg n GLN 15 Cb 0.30 -2.09 -0.00 0.00 0.11 0.00 0.00 30.24 28.55 1whg n GLN 15 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1whg n GLU 16 N -0.75 0.69 -0.05 -1.09 1.02 -0.95 -4.51 120.64 115.00 1whg n GLU 16 Ca 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.63 1whg n GLU 16 Cb 1.00 -1.02 -0.07 0.00 -0.02 0.00 0.00 31.44 31.33 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 -2.44 1.75 -0.03 0.62 0.00 -1.26 -4.32 120.51 114.83 1whg n ALA 17 Ca -0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.60 1whg n ALA 17 Cb 0.52 0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 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 0.14 -1.17 0.00 4.39 -1.85 -3.22 114.58 112.86 1whg h GLU 18 Ca -0.27 -0.24 -0.57 0.00 0.34 0.00 0.00 59.36 58.63 1whg h GLU 18 Cb 1.57 0.09 -0.24 0.00 -0.10 0.00 0.00 28.75 30.06 1whg h GLU 18 CO -0.00 1.11 0.73 0.00 -1.16 0.00 0.00 179.01 179.69 1whg n ALA 19 N -3.03 5.95 0.00 3.43 0.00 -1.24 -4.23 120.51 121.40 1whg n ALA 19 Ca -0.24 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1whg n ALA 19 Cb 0.78 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.51 2.23 0.08 0.00 0.00 -1.26 -4.69 120.51 116.37 1whg n ALA 20 Ca 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1whg n ALA 20 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1whg n ALA 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1whg h GLN 21 N 0.00 -0.12 -1.00 0.00 5.75 -1.73 -2.73 115.11 115.27 1whg h GLN 21 Ca 0.00 0.01 -0.51 0.00 -0.15 0.00 0.00 58.65 57.99 1whg h GLN 21 Cb 0.00 0.03 -0.29 0.00 1.07 0.00 0.00 27.48 28.28 1whg h GLN 21 CO 0.00 -0.06 0.66 0.54 -2.65 0.00 0.00 178.83 177.31 1whg n ARG 22 N -5.14 2.24 -1.48 1.69 5.12 -1.26 -4.19 116.66 113.66 1whg n ARG 22 Ca -0.08 -2.91 0.04 0.00 -1.93 0.00 0.00 57.85 52.97 1whg n ARG 22 Cb 0.09 -2.14 0.04 0.00 -1.16 0.00 0.00 32.46 29.29 1whg n ARG 22 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1whg n LEU 23 N -1.05 1.25 -0.03 0.55 7.94 -1.03 -4.83 117.00 119.80 1whg n LEU 23 Ca 0.58 -2.29 -0.13 0.00 -1.11 0.00 0.00 56.01 53.06 1whg n LEU 23 Cb 1.52 -0.04 -0.14 0.00 0.53 0.00 0.00 43.42 45.30 1whg n LEU 23 CO 0.60 0.64 -0.73 -1.54 -1.11 0.00 0.00 177.39 175.25 1whg n SER 24 N 0.25 1.22 -0.12 1.96 3.41 -1.23 -3.96 113.62 115.15 1whg n SER 24 Ca 0.08 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1whg n SER 24 Cb 1.08 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 1whg n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1whg h GLU 25 N 0.02 0.94 -0.55 4.33 5.08 -1.91 -2.55 114.58 119.95 1whg h GLU 25 Ca -0.38 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 1whg h GLU 25 Cb 2.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.27 1whg h GLU 25 CO 0.07 1.13 0.35 0.93 -1.00 0.00 0.00 179.01 180.48 1whg h GLU 26 N 0.78 0.72 -0.08 2.33 5.08 -1.91 -1.91 114.58 119.59 1whg h GLU 26 Ca 0.07 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1whg h GLU 26 Cb 0.93 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1whg h GLU 26 CO 0.09 0.49 -0.73 -0.22 -1.00 0.00 0.00 179.01 177.64 1whg h LYS 27 N 0.74 0.41 -0.39 2.33 3.64 -1.65 -1.82 116.57 119.83 1whg h LYS 27 Ca 0.20 -0.33 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1whg h LYS 27 Cb -0.07 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1whg h LYS 27 CO -0.04 0.97 0.25 0.00 -2.27 0.00 0.00 179.45 178.36 1whg h ALA 28 N 0.93 0.49 -0.04 5.00 0.00 -0.93 0.20 119.26 124.92 1whg h ALA 28 Ca -0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1whg h ALA 28 Cb 1.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1whg h ALA 28 CO 0.12 -0.06 -0.80 1.96 0.00 0.00 0.00 179.25 180.47 1whg h GLN 29 N 0.51 0.33 0.00 0.00 7.50 -1.49 -3.11 115.11 118.85 1whg h GLN 29 Ca 0.15 -0.31 -0.06 0.00 0.50 0.00 0.00 58.65 58.93 1whg h GLN 29 Cb -0.04 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 1whg h GLN 29 CO -0.04 0.97 -0.28 0.00 -1.50 0.00 0.00 178.83 177.98 1whg h ALA 30 N 0.93 1.31 -0.92 3.87 0.00 -1.00 -2.45 119.26 121.01 1whg h ALA 30 Ca -0.04 -0.25 -0.49 0.00 0.00 0.00 0.00 54.91 54.12 1whg h ALA 30 Cb 1.40 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.86 1whg h ALA 30 CO 0.13 0.35 0.63 0.45 0.00 0.00 0.00 179.25 180.81 1whg n SER 31 N -3.88 4.12 0.00 0.00 2.88 0.03 -4.31 113.62 112.45 1whg n SER 31 Ca -0.02 -3.50 0.00 0.00 -1.33 0.00 0.00 58.87 54.03 1whg n SER 31 Cb 0.36 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.98 2.67 -2.31 -1.46 0.00 -0.96 -5.02 120.51 112.45 1whg n ALA 32 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 1whg n ALA 32 Cb 1.48 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.98 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 -1.72 4.00 0.83 0.00 1.01 -0.98 -5.01 121.20 119.32 1whg s ILE 33 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.72 1whg s ILE 33 Cb 0.00 -3.96 0.18 0.00 0.01 0.00 0.00 42.46 38.69 1whg s ILE 33 CO 0.00 -0.35 1.13 -1.20 0.00 0.00 0.00 174.94 174.52 1whg n SER 34 N 7.71 0.79 -4.86 3.58 7.64 -1.26 -4.97 113.62 122.25 1whg n SER 34 Ca 0.16 -1.84 -0.35 0.00 1.01 0.00 0.00 58.87 57.86 1whg n SER 34 Cb 0.46 -0.80 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.42 5.27 -0.08 0.44 1.01 -1.26 -4.42 120.40 117.95 1whg s VAL 35 Ca 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1whg s VAL 35 Cb -0.03 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1whg s VAL 35 CO 0.47 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.62 1whg n GLY 36 N 1.38 0.35 3.32 4.51 0.00 -0.55 -4.99 105.19 109.21 1whg n GLY 36 Ca -0.15 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.96 2.92 -0.55 1.61 0.01 -1.26 -4.92 113.70 108.55 1whg s SER 37 Ca 0.00 -0.60 -0.26 0.00 1.31 0.00 0.00 55.95 56.39 1whg s SER 37 Cb -0.00 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.02 1whg s SER 37 CO 0.00 0.20 1.07 -0.13 0.41 0.00 0.00 173.24 174.79 1whg s ARG 38 N -1.41 3.47 0.17 12.44 1.81 -1.26 -2.30 118.95 131.87 1whg s ARG 38 Ca 0.10 0.08 0.08 0.00 -1.72 0.00 0.00 55.73 54.27 1whg s ARG 38 Cb -0.10 -4.01 -0.04 0.00 -0.45 0.00 0.00 34.95 30.35 1whg s ARG 38 CO 0.03 -1.53 -0.17 0.00 -0.68 0.00 0.00 175.30 172.94 1whg s GLU 40 N -2.94 2.12 -0.03 0.00 2.02 0.28 -0.46 118.70 119.69 1whg s GLU 40 Ca 0.16 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 1whg s GLU 40 Cb -0.05 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 32.01 1whg s GLU 40 CO 0.06 -1.26 0.07 0.08 0.02 0.00 0.00 175.26 174.23 1whg s VAL 41 N -3.23 -0.03 -0.28 2.63 1.01 -0.06 -0.97 120.40 119.47 1whg s VAL 41 Ca 0.61 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1whg s VAL 41 Cb -0.10 -0.11 0.09 0.00 0.00 0.00 0.00 36.38 36.25 1whg s VAL 41 CO 0.44 0.04 0.08 -0.60 0.00 0.00 0.00 175.10 175.06 1whg s ARG 42 N 0.55 0.75 0.15 2.72 3.52 0.56 -2.66 118.95 124.53 1whg s ARG 42 Ca -0.04 -0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 54.63 1whg s ARG 42 Cb -0.06 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1whg s ARG 42 CO -0.02 -0.89 0.05 0.00 -0.81 0.00 0.00 175.30 173.63 1whg s ALA 43 N 1.66 1.00 -0.85 6.12 0.00 -1.26 -4.67 121.76 123.76 1whg s ALA 43 Ca 0.06 -1.52 -0.09 0.00 0.00 0.00 0.00 51.96 50.41 1whg s ALA 43 Cb -0.17 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.74 1whg s ALA 43 CO -0.21 -0.47 2.02 -0.35 0.00 0.00 0.00 175.76 176.76 1whg n PRO 44 N -0.15 1.87 0.00 0.00 -0.04 -1.26 -3.84 135.00 131.58 1whg n PRO 44 Ca -0.05 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1whg n PRO 44 Cb 0.64 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 5.02 1.41 0.04 3.54 9.92 -1.26 -5.08 116.55 130.14 1whg n ASP 45 Ca 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1whg n ASP 45 Cb 0.19 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1whg n ASP 45 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1whg n HIS 46 N -2.66 -2.12 -3.20 1.24 -0.00 -1.25 -5.18 115.22 102.05 1whg n HIS 46 Ca 0.00 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.45 1whg n HIS 46 Cb 0.41 0.93 0.00 0.00 -0.12 0.00 0.00 29.99 31.21 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 -2.41 0.00 -4.79 0.26 7.64 -1.26 -5.07 113.62 107.99 1whg n SER 47 Ca 0.00 -0.97 -0.34 0.00 1.01 0.00 0.00 58.87 58.57 1whg n SER 47 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.71 -0.03 -3.43 1.43 -1.26 -4.63 118.68 114.47 1whg s LEU 48 Ca 0.00 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.85 1whg s LEU 48 Cb 0.00 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.72 1whg s LEU 48 CO 0.00 -1.11 0.60 0.00 0.23 0.00 0.00 176.35 176.07 1whg s ARG 49 N -3.47 1.00 0.16 1.70 1.70 -1.09 -4.96 118.95 113.98 1whg s ARG 49 Ca 0.69 0.11 -0.19 0.00 -0.47 0.00 0.00 55.73 55.87 1whg s ARG 49 Cb -0.20 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.57 1whg s ARG 49 CO 0.27 -0.32 0.64 1.03 -1.08 0.00 0.00 175.30 175.85 1whg s ARG 50 N -1.42 4.20 0.00 3.89 1.81 -1.26 -0.88 118.95 125.28 1whg s ARG 50 Ca -0.10 0.76 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 1whg s ARG 50 Cb -0.01 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 1whg s ARG 50 CO 0.07 0.50 0.00 0.41 -0.68 0.00 0.00 175.30 175.60 1whg n GLY 51 N 1.10 3.47 2.89 -3.53 0.00 0.39 -4.58 105.19 104.93 1whg n GLY 51 Ca -0.06 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.29 -0.05 0.15 2.61 2.01 -0.84 -1.89 115.64 115.34 1whg s THR 52 Ca 0.00 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 1whg s THR 52 Cb 0.00 -0.19 -0.09 0.00 0.01 0.00 0.00 72.50 72.23 1whg s THR 52 CO 0.00 0.07 1.43 -0.69 -0.69 0.00 0.00 174.62 174.74 1whg s VAL 53 N 1.04 3.06 -0.01 3.82 1.01 -0.97 -2.00 120.40 126.35 1whg s VAL 53 Ca -0.08 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1whg s VAL 53 Cb -0.11 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1whg s VAL 53 CO -0.05 0.07 -0.01 0.23 0.00 0.00 0.00 175.10 175.35 1whg n MET 54 N 3.65 0.03 -3.90 2.72 2.81 0.51 -1.49 117.12 121.45 1whg n MET 54 Ca 0.11 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1whg n MET 54 Cb 0.41 -1.01 -0.13 0.00 -0.71 0.00 0.00 33.22 31.78 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 0.06 -0.04 2.03 6.14 -1.23 -4.91 117.35 117.37 1whg s TYR 55 Ca -0.01 -0.12 -0.02 0.00 0.64 0.00 0.00 57.07 57.56 1whg s TYR 55 Cb 0.00 -0.05 0.03 0.00 0.42 0.00 0.00 41.96 42.37 1whg s TYR 55 CO 0.02 -0.06 0.08 0.08 0.64 0.00 0.00 175.55 176.31 1whg s VAL 56 N -0.42 -0.10 -5.00 3.14 1.01 -1.26 -1.17 120.40 116.60 1whg s VAL 56 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1whg s VAL 56 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1whg s VAL 56 CO -0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1whg n GLY 57 N 4.64 -0.10 3.83 4.51 0.00 -0.88 -5.01 105.19 112.18 1whg n GLY 57 Ca -0.18 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 4.14 0.00 0.99 1.02 -1.26 0.86 118.68 124.43 1whg s LEU 58 Ca 0.00 0.32 0.05 0.00 0.02 0.00 0.00 54.13 54.52 1whg s LEU 58 Cb 0.00 -2.19 0.05 0.00 0.02 0.00 0.00 46.19 44.07 1whg s LEU 58 CO 0.00 0.34 0.45 0.35 0.02 0.00 0.00 176.35 177.51 1whg n THR 59 N 1.60 0.00 -0.93 5.49 -2.24 -1.26 -4.93 114.28 112.02 1whg n THR 59 Ca -0.16 -1.46 0.09 0.00 -2.27 0.00 0.00 64.05 60.24 1whg n THR 59 Cb 0.54 -0.44 0.16 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.24 2.71 -0.00 3.42 8.00 -1.26 -4.64 116.55 122.53 1whg n ASP 60 Ca 0.06 -2.94 -0.00 0.00 0.71 0.00 0.00 54.79 52.62 1whg n ASP 60 Cb 0.44 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.07 0.00 -4.05 1.24 1.16 -1.26 -4.98 117.46 108.50 1whg n PHE 61 Ca 0.16 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.61 1whg n PHE 61 Cb 0.66 -0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.40 1whg n PHE 61 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1whg s LYS 62 N -2.00 0.41 0.49 3.97 1.02 -1.26 -5.15 119.74 117.21 1whg s LYS 62 Ca -0.00 -0.50 -0.21 0.00 0.02 0.00 0.00 55.97 55.28 1whg s LYS 62 Cb 0.00 -0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 37.02 1whg s LYS 62 CO 0.00 0.04 1.09 -1.25 -0.92 0.00 0.00 175.35 174.32 1whg s PRO 63 N -1.02 3.70 0.00 -1.68 0.04 -1.26 -4.38 135.00 130.41 1whg s PRO 63 Ca -0.07 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1whg s PRO 63 Cb -0.07 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1whg s PRO 63 CO -0.00 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1whg n GLY 64 N 0.10 1.87 3.68 0.56 0.00 -1.26 -4.96 105.19 105.18 1whg n GLY 64 Ca 0.09 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.49 3.28 0.21 1.61 2.02 -1.26 -4.24 117.35 116.49 1whg s TYR 65 Ca 0.00 1.37 0.06 0.00 -0.37 0.00 0.00 57.07 58.13 1whg s TYR 65 Cb 0.00 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 1whg s TYR 65 CO 0.00 -0.82 0.15 -1.58 -1.57 0.00 0.00 175.55 171.73 1whg s TRP 66 N 2.52 3.09 -0.13 2.71 0.52 0.25 -4.27 118.94 123.64 1whg s TRP 66 Ca 0.51 -0.08 -0.03 0.00 0.02 0.00 0.00 56.10 56.51 1whg s TRP 66 Cb -0.20 -1.43 0.05 0.00 -1.15 0.00 0.00 33.47 30.73 1whg s TRP 66 CO 0.16 0.53 0.06 0.08 0.02 0.00 0.00 176.95 177.80 1whg s VAL 67 N -1.97 0.06 -0.18 4.03 1.01 0.06 -2.06 120.40 121.35 1whg s VAL 67 Ca 0.32 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1whg s VAL 67 Cb -0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1whg s VAL 67 CO 0.24 -0.08 1.15 -0.83 0.00 0.00 0.00 175.10 175.58 1whg s GLY 68 N 2.08 1.76 -0.09 4.51 0.00 -0.32 -2.03 107.32 113.23 1whg s GLY 68 Ca 0.03 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.14 1whg s GLY 68 CO -0.07 2.31 -0.21 0.14 0.00 0.00 0.00 173.10 175.27 1whg s VAL 69 N 3.16 1.84 -0.06 1.40 1.01 -1.00 -0.36 120.40 126.38 1whg s VAL 69 Ca 0.50 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1whg s VAL 69 Cb -0.19 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1whg s VAL 69 CO 0.12 0.51 0.15 -0.60 0.00 0.00 0.00 175.10 175.28 1whg s ARG 70 N 0.41 3.41 0.21 2.72 3.52 -0.85 -2.42 118.95 125.95 1whg s ARG 70 Ca -0.18 -0.24 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 1whg s ARG 70 Cb -0.17 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1whg s ARG 70 CO 0.08 0.73 -0.08 0.71 -0.81 0.00 0.00 175.30 175.92 1whg s TYR 71 N -1.16 2.61 -0.00 5.12 2.02 -1.00 -1.99 117.35 122.95 1whg s TYR 71 Ca 0.21 -0.23 -0.25 0.00 -0.37 0.00 0.00 57.07 56.42 1whg s TYR 71 Cb -0.12 -1.23 -0.18 0.00 -0.40 0.00 0.00 41.96 40.02 1whg s TYR 71 CO 0.11 0.56 1.27 0.22 -1.57 0.00 0.00 175.55 176.14 1whg h ASP 72 N 2.58 -0.12 -2.62 2.29 1.82 -1.91 -3.46 116.42 115.00 1whg h ASP 72 Ca -0.45 -0.33 -0.46 0.00 -0.39 0.00 0.00 57.03 55.39 1whg h ASP 72 Cb 1.22 0.03 0.02 0.00 0.68 0.00 0.00 39.33 41.29 1whg h ASP 72 CO 0.56 0.29 -0.14 -1.61 -1.61 0.00 0.00 179.24 176.72 1whg s GLU 73 N -4.49 3.14 -0.91 0.28 2.02 -1.26 -4.95 118.70 112.52 1whg s GLU 73 Ca -0.15 -0.54 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 1whg s GLU 73 Cb 0.02 -2.61 -0.20 0.00 0.10 0.00 0.00 34.13 31.44 1whg s GLU 73 CO 0.62 -0.16 2.10 -2.30 0.02 0.00 0.00 175.26 175.53 1whg n PRO 74 N -1.97 0.20 -0.01 0.39 -0.02 -1.26 -4.41 135.00 127.92 1whg n PRO 74 Ca 0.00 -1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 60.19 1whg n PRO 74 Cb 0.57 -3.52 -0.02 0.00 -0.02 0.00 0.00 33.50 30.52 1whg n PRO 74 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1whg n LEU 75 N 17.84 0.24 0.00 2.45 4.77 -0.84 -4.95 117.00 136.52 1whg n LEU 75 Ca 0.40 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 1whg n LEU 75 Cb 0.45 0.05 0.22 0.00 -2.33 0.00 0.00 43.42 41.80 1whg n LEU 75 CO 0.59 0.10 0.25 0.61 -1.33 0.00 0.00 177.39 177.61 1whg n GLY 76 N 2.89 -3.01 0.72 -0.72 0.00 -0.90 -4.82 105.19 99.35 1whg n GLY 76 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.63 0.00 -2.58 1.61 4.76 -1.26 -4.26 118.16 112.80 1whg n LYS 77 Ca 0.10 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1whg n LYS 77 Cb 0.44 -0.56 0.04 0.00 -1.84 0.00 0.00 35.03 33.11 1whg n LYS 77 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1whg n ASN 78 N -2.51 1.68 -0.07 4.39 3.02 -1.25 -4.17 115.26 116.35 1whg n ASN 78 Ca 0.00 -2.18 -0.15 0.00 -0.03 0.00 0.00 54.58 52.23 1whg n ASN 78 Cb 0.33 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 1whg n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1whg n ASP 79 N -2.40 1.22 0.00 6.41 2.03 -1.26 -2.77 116.55 119.78 1whg n ASP 79 Ca 0.10 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1whg n ASP 79 Cb 0.44 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whg n GLY 80 N 1.93 1.67 3.70 0.27 0.00 -1.26 -4.30 105.19 107.19 1whg n GLY 80 Ca -0.34 -0.12 -0.42 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 7.33 -0.13 1.61 0.15 -1.26 -3.99 113.70 117.41 1whg s SER 81 Ca 0.00 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.29 1whg s SER 81 Cb 0.00 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1whg s SER 81 CO 0.00 -0.32 -0.14 -0.69 1.20 0.00 0.00 173.24 173.29 1whg s VAL 82 N 1.29 1.50 -1.60 4.45 1.01 0.20 -4.71 120.40 122.54 1whg s VAL 82 Ca 0.51 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1whg s VAL 82 Cb -0.20 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1whg s VAL 82 CO 0.25 0.44 0.23 0.59 0.00 0.00 0.00 175.10 176.62 1whg n ASN 83 N 4.53 -5.75 -0.11 3.32 5.03 -1.26 -1.80 115.26 119.22 1whg n ASN 83 Ca -0.18 -0.12 -0.01 0.00 0.87 0.00 0.00 54.58 55.15 1whg n ASN 83 Cb 0.51 -4.70 -0.00 0.00 -1.02 0.00 0.00 39.78 34.57 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 -1.20 0.35 2.78 7.41 0.00 -1.26 -5.04 105.19 108.22 1whg n GLY 84 Ca -0.18 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.65 0.82 0.40 1.61 2.20 -0.75 -5.13 119.74 115.23 1whg s LYS 85 Ca 0.00 -0.40 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 1whg s LYS 85 Cb 0.00 -1.96 -0.10 0.00 -1.51 0.00 0.00 37.83 34.25 1whg s LYS 85 CO 0.00 -0.56 0.87 0.50 -0.36 0.00 0.00 175.35 175.80 1whg s ARG 86 N 1.81 4.13 0.00 4.03 3.00 -1.26 -0.63 118.95 130.03 1whg s ARG 86 Ca -0.00 0.94 0.00 0.00 -1.00 0.00 0.00 55.73 55.67 1whg s ARG 86 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 34.95 32.52 1whg s ARG 86 CO -0.07 0.02 0.00 0.66 0.00 0.00 0.00 175.30 175.91 1whg n TYR 87 N -0.60 0.00 -4.25 5.12 4.02 -1.26 -4.97 117.16 115.23 1whg n TYR 87 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.79 1whg n TYR 87 Cb 0.54 0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.93 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 -2.48 -0.45 -4.00 -0.72 1.16 -1.26 -4.78 117.46 104.93 1whg n PHE 88 Ca 0.00 -2.07 -0.31 0.00 -1.87 0.00 0.00 57.45 53.20 1whg n PHE 88 Cb 0.28 0.17 -0.15 0.00 -1.61 0.00 0.00 39.48 38.17 1whg n PHE 88 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1whg s GLU 89 N -3.04 1.59 0.23 3.97 2.02 -1.26 -4.81 118.70 117.39 1whg s GLU 89 Ca 0.27 -1.60 -0.21 0.00 0.02 0.00 0.00 54.97 53.44 1whg s GLU 89 Cb 0.01 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.32 1whg s GLU 89 CO 0.19 -0.83 0.66 0.00 0.02 0.00 0.00 175.26 175.30 1whg n GLN 91 N -0.42 -1.85 -2.31 0.00 6.02 -1.26 -4.71 117.38 112.85 1whg n GLN 91 Ca -0.09 -1.83 -0.31 0.00 -0.01 0.00 0.00 57.00 54.76 1whg n GLN 91 Cb 0.62 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1whg s ALA 92 N -3.64 3.13 -1.77 -1.58 0.00 -1.26 -3.74 121.76 112.90 1whg s ALA 92 Ca 0.69 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 1whg s ALA 92 Cb -0.03 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1whg s ALA 92 CO 0.50 -0.35 0.06 1.63 0.00 0.00 0.00 175.76 177.60 1whg n LYS 93 N -1.93 -2.00 0.00 0.00 5.02 -1.11 -4.76 118.16 113.37 1whg n LYS 93 Ca 0.06 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1whg n LYS 93 Cb 0.54 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -4.06 0.00 -3.31 2.13 4.01 -1.25 -1.98 117.16 112.70 1whg n TYR 94 Ca -0.24 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.06 1whg n TYR 94 Cb 0.68 0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 40.06 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 -4.83 1.99 0.60 2.72 0.00 -1.25 -2.36 107.32 104.19 1whg s GLY 95 Ca 0.00 -2.19 0.10 0.00 0.00 0.00 0.00 44.72 42.63 1whg s GLY 95 CO 0.00 1.21 0.79 0.00 0.00 0.00 0.00 173.10 175.10 1whg n ALA 96 N 5.47 1.24 -3.80 3.20 0.00 -1.02 -3.82 120.51 121.79 1whg n ALA 96 Ca -0.12 -2.18 -0.30 0.00 0.00 0.00 0.00 53.44 50.85 1whg n ALA 96 Cb 0.43 0.62 -0.15 0.00 0.00 0.00 0.00 19.45 20.35 1whg n ALA 96 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1whg s PHE 97 N -2.73 2.05 0.58 0.00 0.08 -1.26 -2.38 117.98 114.32 1whg s PHE 97 Ca 0.60 -1.88 0.08 0.00 0.12 0.00 0.00 56.93 55.85 1whg s PHE 97 Cb -0.05 -1.85 0.08 0.00 -0.57 0.00 0.00 43.02 40.63 1whg s PHE 97 CO 0.38 -0.86 0.64 0.14 -0.10 0.00 0.00 175.22 175.42 1whg s VAL 98 N 1.50 1.78 0.08 -0.44 -7.23 -0.86 -4.89 120.40 110.35 1whg s VAL 98 Ca 0.08 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.07 1whg s VAL 98 Cb -0.18 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1whg s VAL 98 CO -0.20 0.00 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.05 1whg s LYS 99 N -4.53 2.54 0.20 4.82 -0.14 -1.26 -0.76 119.74 120.61 1whg s LYS 99 Ca 0.49 -0.83 -0.17 0.00 -1.36 0.00 0.00 55.97 54.09 1whg s LYS 99 Cb -0.04 -2.54 0.18 0.00 -1.68 0.00 0.00 37.83 33.76 1whg s LYS 99 CO 0.31 0.54 1.60 -1.35 -0.76 0.00 0.00 175.35 175.69 1whg h PRO 100 N 3.50 -0.09 -0.15 -1.68 0.11 -1.92 1.59 132.00 133.36 1whg h PRO 100 Ca -0.48 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 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 0.59 -0.06 0.22 0.77 -0.21 0.00 0.00 178.00 179.32 1whg h SER 101 N -0.09 0.00 0.64 -2.05 0.02 -1.93 0.83 113.55 110.97 1whg h SER 101 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1whg h SER 101 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1whg h SER 101 CO -0.68 0.00 -0.72 0.00 -1.14 0.00 0.00 176.83 174.29 1whg n ALA 102 N -2.23 3.24 -2.73 3.77 0.00 0.51 -4.90 120.51 118.17 1whg n ALA 102 Ca 0.01 -0.32 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 1whg n ALA 102 Cb 0.33 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.13 5.16 -0.18 0.00 1.01 0.29 -0.32 120.40 123.23 1whg s VAL 103 Ca 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1whg s VAL 103 Cb 0.15 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.84 1whg s VAL 103 CO 0.74 -0.28 0.18 -0.89 0.00 0.00 0.00 175.10 174.85 1whg s THR 104 N -1.99 -0.26 0.38 3.92 2.01 -0.15 -4.91 115.64 114.63 1whg s THR 104 Ca 0.39 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 62.09 1whg s THR 104 Cb -0.11 -0.60 -0.10 0.00 0.01 0.00 0.00 72.50 71.70 1whg s THR 104 CO 0.30 -0.18 0.99 -0.69 -0.69 0.00 0.00 174.62 174.35 1whg s VAL 105 N 2.28 4.06 0.00 3.82 1.01 -1.26 0.10 120.40 130.41 1whg s VAL 105 Ca 0.05 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1whg s VAL 105 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1whg s VAL 105 CO -0.11 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1whg n GLY 106 N 0.21 0.00 4.03 4.51 0.00 -1.25 -4.90 105.19 107.79 1whg n GLY 106 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1whg n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whg s ASP 107 N -4.15 4.74 0.02 1.61 1.01 -1.26 -5.13 116.67 113.51 1whg s ASP 107 Ca 0.00 -0.76 0.02 0.00 0.71 0.00 0.00 52.55 52.52 1whg s ASP 107 Cb 0.00 0.35 -0.01 0.00 1.01 0.00 0.00 42.92 44.26 1whg s ASP 107 CO 0.00 -1.61 -0.07 -0.94 0.21 0.00 0.00 175.17 172.76 1whg s SER 108 N -4.74 0.75 0.57 0.27 1.04 -1.26 -4.97 113.70 105.36 1whg s SER 108 Ca 0.65 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1whg s SER 108 Cb -0.05 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.10 1whg s SER 108 CO 0.42 -0.07 0.34 0.61 0.98 0.00 0.00 173.24 175.52 1whg n GLY 109 N 2.20 0.45 3.40 7.32 0.00 -1.26 -5.06 105.19 112.25 1whg n GLY 109 Ca -0.18 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.65 -0.40 0.00 1.61 -0.02 -1.26 -4.93 135.00 128.36 1whg n PRO 110 Ca 0.05 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1whg n PRO 110 Cb 0.19 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1whg n PRO 110 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1whg n SER 111 N -1.28 -0.06 -0.03 2.55 7.64 -1.26 -5.02 113.62 116.17 1whg n SER 111 Ca 0.06 0.01 -0.00 0.00 1.01 0.00 0.00 58.87 59.95 1whg n SER 111 Cb 0.54 0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1whg n SER 111 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1whg h SER 112 N 0.00 -0.00 0.00 6.43 4.64 -2.05 -3.58 113.55 118.99 1whg h SER 112 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1whg h SER 112 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1whg h SER 112 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84