#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 2.88 -1.26 -5.04 113.62 111.82 1whg n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whg n SER 2 Cb 0.00 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1whg n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whg n SER 3 N -1.55 0.00 -3.46 -3.46 2.88 -1.26 -5.11 113.62 101.66 1whg n SER 3 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1whg n SER 3 Cb 0.00 0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1whg n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whg s GLY 4 N -1.49 -0.58 -0.10 0.46 0.00 -1.26 -5.03 107.32 99.32 1whg s GLY 4 Ca 0.00 1.56 -0.03 0.00 0.00 0.00 0.00 44.72 46.25 1whg s GLY 4 CO 0.00 2.81 -0.11 -1.26 0.00 0.00 0.00 173.10 174.54 1whg n SER 5 N 5.40 1.61 -4.29 1.64 2.88 -1.26 -4.88 113.62 114.72 1whg n SER 5 Ca -0.06 0.06 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1whg n SER 5 Cb 0.50 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 1whg n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whg s SER 6 N -5.55 6.58 0.05 -3.46 0.15 -1.26 -5.00 113.70 105.20 1whg s SER 6 Ca -0.14 -2.80 -0.27 0.00 0.70 0.00 0.00 55.95 53.45 1whg s SER 6 Cb 0.05 -2.16 0.08 0.00 -1.71 0.00 0.00 66.02 62.28 1whg s SER 6 CO 0.19 -0.52 0.72 -0.83 1.20 0.00 0.00 173.24 174.01 1whg s GLY 7 N 1.85 -0.54 -0.10 9.45 0.00 -1.26 -5.16 107.32 111.55 1whg s GLY 7 Ca 0.19 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.87 1whg s GLY 7 CO -0.08 0.45 -0.21 0.21 0.00 0.00 0.00 173.10 173.47 1whg s ASN 8 N -2.21 2.79 -0.02 1.64 3.84 -1.26 -5.01 114.94 114.71 1whg s ASN 8 Ca -0.01 -0.51 0.09 0.00 0.21 0.00 0.00 52.86 52.64 1whg s ASN 8 Cb -0.01 -1.28 -0.23 0.00 -0.55 0.00 0.00 41.25 39.18 1whg s ASN 8 CO -0.06 0.11 0.74 -0.08 -2.79 0.00 0.00 177.10 175.02 1whg h GLU 9 N 6.94 0.05 0.00 0.43 4.81 -2.01 -3.34 114.58 121.45 1whg h GLU 9 Ca -0.25 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 58.76 1whg h GLU 9 Cb 1.22 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1whg h GLU 9 CO 0.49 0.69 -0.90 0.93 -0.73 0.00 0.00 179.01 179.48 1whg h GLU 10 N 0.01 0.00 -1.06 1.92 5.08 -2.04 -3.30 114.58 115.18 1whg h GLU 10 Ca -0.25 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.60 1whg h GLU 10 Cb 1.98 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.97 1whg h GLU 10 CO 0.09 0.50 0.65 -0.11 -1.00 0.00 0.00 179.01 179.14 1whg n LEU 11 N -3.13 6.75 -0.04 1.33 7.94 -1.26 -4.16 117.00 124.44 1whg n LEU 11 Ca -0.03 -3.64 -0.05 0.00 -1.11 0.00 0.00 56.01 51.18 1whg n LEU 11 Cb 0.80 -0.89 -0.06 0.00 0.53 0.00 0.00 43.42 43.81 1whg n LEU 11 CO 0.42 1.17 -0.79 -1.14 -1.11 0.00 0.00 177.39 175.95 1whg n ARG 12 N -0.76 1.66 -0.01 1.96 0.63 -1.24 -4.39 116.66 114.50 1whg n ARG 12 Ca 0.53 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 57.40 1whg n ARG 12 Cb 1.11 -1.20 -0.13 0.00 0.45 0.00 0.00 32.46 32.69 1whg n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1whg h ALA 13 N 0.22 0.73 0.00 5.13 0.00 -1.79 -3.31 119.26 120.24 1whg h ALA 13 Ca -0.22 -1.37 -0.10 0.00 0.00 0.00 0.00 54.91 53.22 1whg h ALA 13 Cb 1.42 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1whg h ALA 13 CO -0.01 1.51 -0.49 0.37 0.00 0.00 0.00 179.25 180.63 1whg h GLN 14 N 0.00 0.00 -0.87 0.00 -0.00 -1.83 -3.15 115.11 109.25 1whg h GLN 14 Ca -0.25 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.79 1whg h GLN 14 Cb 1.96 0.00 -0.36 0.00 0.00 0.00 0.00 27.48 29.08 1whg h GLN 14 CO 0.08 0.49 0.01 1.04 0.00 0.00 0.00 178.83 180.45 1whg n GLN 15 N -3.64 3.17 -0.04 1.69 6.02 -1.26 -4.07 117.38 119.25 1whg n GLN 15 Ca -0.01 -3.74 -0.08 0.00 -0.01 0.00 0.00 57.00 53.17 1whg n GLN 15 Cb 0.57 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.81 0.19 -0.07 -1.09 1.02 -1.19 -4.65 120.64 114.04 1whg n GLU 16 Ca 0.53 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.65 1whg n GLU 16 Cb 0.82 -0.96 -0.08 0.00 -0.02 0.00 0.00 31.44 31.20 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 -3.11 1.69 -0.06 0.62 0.00 -1.26 -4.34 120.51 114.04 1whg n ALA 17 Ca -0.16 -0.67 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 1whg n ALA 17 Cb 0.64 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 0.33 -1.16 0.00 4.39 -1.86 -2.84 114.58 113.43 1whg h GLU 18 Ca -0.33 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 58.75 1whg h GLU 18 Cb 1.57 -0.06 -0.24 0.00 -0.10 0.00 0.00 28.75 29.91 1whg h GLU 18 CO -0.03 0.32 0.74 0.00 -1.16 0.00 0.00 179.01 178.87 1whg n ALA 19 N -2.21 5.98 0.00 3.43 0.00 -1.26 -3.91 120.51 122.54 1whg n ALA 19 Ca -0.03 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1whg n ALA 19 Cb 0.09 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.54 2.00 -0.09 0.00 0.00 -1.07 -4.68 120.51 116.13 1whg n ALA 20 Ca 0.53 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.75 1whg n ALA 20 Cb 0.63 0.45 -0.12 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.39 0.65 0.13 0.00 3.00 -1.23 -3.32 117.38 114.22 1whg n GLN 21 Ca 0.00 0.29 0.13 0.00 -0.01 0.00 0.00 57.00 57.41 1whg n GLN 21 Cb 0.45 -1.61 0.65 0.00 0.00 0.00 0.00 30.24 29.73 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 -0.38 0.03 -0.49 -1.09 3.08 -1.85 -1.66 114.38 112.02 1whg h ARG 22 Ca -0.52 -0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.18 1whg h ARG 22 Cb 1.77 -0.01 -0.25 0.00 0.08 0.00 0.00 29.97 31.56 1whg h ARG 22 CO -0.13 0.02 -0.55 -0.11 -1.07 0.00 0.00 179.97 178.12 1whg n LEU 23 N -4.47 4.31 0.10 3.04 7.94 -1.26 -4.69 117.00 121.96 1whg n LEU 23 Ca 0.03 -4.36 -0.15 0.00 -1.11 0.00 0.00 56.01 50.41 1whg n LEU 23 Cb 0.32 -0.46 -0.14 0.00 0.53 0.00 0.00 43.42 43.66 1whg n LEU 23 CO 0.35 1.77 -0.04 0.77 -1.11 0.00 0.00 177.39 179.14 1whg h SER 24 N 1.68 0.40 -0.41 1.96 4.64 -1.29 -2.90 113.55 117.63 1whg h SER 24 Ca 0.25 -0.43 -0.10 0.00 -0.47 0.00 0.00 61.79 61.04 1whg h SER 24 Cb 1.35 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1whg h SER 24 CO 0.53 1.34 -0.10 1.05 -0.87 0.00 0.00 176.83 178.78 1whg h GLU 25 N 0.07 0.87 0.00 4.77 4.11 -1.84 -2.59 114.58 119.97 1whg h GLU 25 Ca -0.13 -0.29 -0.14 0.00 0.07 0.00 0.00 59.36 58.87 1whg h GLU 25 Cb 1.96 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 1whg h GLU 25 CO 0.20 0.93 -0.67 0.93 0.07 0.00 0.00 179.01 180.47 1whg h GLU 26 N 0.78 0.00 -0.49 1.06 5.08 -1.91 -3.14 114.58 115.96 1whg h GLU 26 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1whg h GLU 26 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1whg h GLU 26 CO 0.04 0.67 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.38 1whg h LYS 27 N 0.00 0.92 0.56 2.33 3.64 -1.27 -0.97 116.57 121.79 1whg h LYS 27 Ca -0.01 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1whg h LYS 27 Cb 1.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1whg h LYS 27 CO 0.09 0.98 -0.30 0.00 -2.27 0.00 0.00 179.45 177.95 1whg h ALA 28 N 1.04 -0.81 -0.11 5.00 0.00 -1.42 0.84 119.26 123.79 1whg h ALA 28 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1whg h ALA 28 Cb 0.65 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1whg h ALA 28 CO 0.05 -0.96 -0.12 -0.56 0.00 0.00 0.00 179.25 177.66 1whg h GLN 29 N -0.80 0.17 0.00 0.00 3.07 -1.56 -2.05 115.11 113.94 1whg h GLN 29 Ca -0.07 -0.03 -0.11 0.00 0.09 0.00 0.00 58.65 58.53 1whg h GLN 29 Cb 0.63 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.15 1whg h GLN 29 CO 0.10 0.30 -0.50 0.00 0.09 0.00 0.00 178.83 178.82 1whg h ALA 30 N 1.72 0.70 -0.69 0.06 0.00 -0.80 -3.19 119.26 117.06 1whg h ALA 30 Ca 0.04 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 1whg h ALA 30 Cb 0.32 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.87 1whg h ALA 30 CO 0.02 0.63 0.34 0.43 0.00 0.00 0.00 179.25 180.67 1whg n SER 31 N -3.27 4.11 0.00 0.00 7.64 0.29 -4.19 113.62 118.20 1whg n SER 31 Ca 0.02 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1whg n SER 31 Cb 0.71 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.34 2.12 -2.09 -0.43 0.00 -1.13 -4.99 120.51 113.65 1whg n ALA 32 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 1whg n ALA 32 Cb 1.31 0.36 -0.03 0.00 0.00 0.00 0.00 19.45 21.10 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 3.61 0.60 0.00 1.01 -1.23 -4.86 121.20 118.57 1whg s ILE 33 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 1whg s ILE 33 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1whg s ILE 33 CO 0.00 -0.45 1.00 -0.44 0.00 0.00 0.00 174.94 175.05 1whg s SER 34 N 5.22 6.27 -0.32 3.58 0.01 -1.26 -4.93 113.70 122.27 1whg s SER 34 Ca 0.74 1.38 -0.22 0.00 1.31 0.00 0.00 55.95 59.16 1whg s SER 34 Cb -0.21 -2.45 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 1whg s SER 34 CO 0.33 -0.81 0.73 -0.69 0.41 0.00 0.00 173.24 173.20 1whg s VAL 35 N -3.08 4.84 0.00 3.43 1.01 -1.26 -4.05 120.40 121.28 1whg s VAL 35 Ca 0.55 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1whg s VAL 35 Cb -0.11 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1whg s VAL 35 CO 0.51 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1whg n GLY 36 N 4.35 1.84 3.26 4.51 0.00 -0.18 -4.98 105.19 113.99 1whg n GLY 36 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 2.39 -0.43 1.61 0.01 -1.26 -4.90 113.70 109.13 1whg s SER 37 Ca 0.00 -0.63 -0.27 0.00 1.31 0.00 0.00 55.95 56.36 1whg s SER 37 Cb 0.00 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.11 1whg s SER 37 CO 0.00 0.07 1.01 -0.13 0.41 0.00 0.00 173.24 174.60 1whg s ARG 38 N -1.67 3.73 0.26 12.44 1.81 -1.26 -2.27 118.95 132.00 1whg s ARG 38 Ca 0.06 0.50 0.07 0.00 -1.72 0.00 0.00 55.73 54.64 1whg s ARG 38 Cb -0.10 -3.87 -0.05 0.00 -0.45 0.00 0.00 34.95 30.48 1whg s ARG 38 CO 0.03 -1.16 -0.09 0.00 -0.68 0.00 0.00 175.30 173.40 1whg s GLU 40 N -3.69 3.18 -0.01 0.00 2.02 0.22 -2.48 118.70 117.93 1whg s GLU 40 Ca 0.28 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.57 1whg s GLU 40 Cb 0.02 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 1whg s GLU 40 CO 0.11 0.50 -0.16 0.08 0.02 0.00 0.00 175.26 175.80 1whg s VAL 41 N -1.77 1.26 -0.18 2.63 1.01 -1.15 0.68 120.40 122.88 1whg s VAL 41 Ca 0.33 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1whg s VAL 41 Cb -0.10 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.26 1whg s VAL 41 CO 0.26 0.36 -0.09 -0.60 0.00 0.00 0.00 175.10 175.03 1whg s ARG 42 N -0.36 1.85 0.14 2.72 3.52 -0.87 -2.24 118.95 123.71 1whg s ARG 42 Ca 0.06 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.88 1whg s ARG 42 Cb -0.06 -2.24 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 1whg s ARG 42 CO -0.01 -0.41 0.23 0.00 -0.81 0.00 0.00 175.30 174.31 1whg s ALA 43 N 1.49 0.07 -1.56 6.12 0.00 -1.26 -4.88 121.76 121.74 1whg s ALA 43 Ca 0.00 -0.91 0.22 0.00 0.00 0.00 0.00 51.96 51.27 1whg s ALA 43 Cb -0.16 0.78 1.17 0.00 0.00 0.00 0.00 23.12 24.92 1whg s ALA 43 CO -0.08 -0.60 1.72 -0.35 0.00 0.00 0.00 175.76 176.45 1whg n PRO 44 N -0.17 0.41 0.19 0.00 -0.04 -1.26 -3.95 135.00 130.18 1whg n PRO 44 Ca -0.09 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1whg n PRO 44 Cb 0.63 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1whg n PRO 44 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1whg h ASP 45 N 0.00 -0.95 0.00 3.54 5.19 -2.02 -3.46 116.42 118.71 1whg h ASP 45 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1whg h ASP 45 Cb 0.16 0.32 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1whg h ASP 45 CO 0.00 -0.44 0.00 1.57 -3.12 0.00 0.00 179.24 177.25 1whg n HIS 46 N -4.46 -0.08 -3.38 4.55 -0.00 -1.25 -5.18 115.22 105.42 1whg n HIS 46 Ca -0.08 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.07 1whg n HIS 46 Cb 0.31 0.17 0.01 0.00 -0.12 0.00 0.00 29.99 30.36 1whg n HIS 46 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1whg n SER 47 N -1.52 -0.82 -4.73 0.26 3.41 -1.26 -5.01 113.62 103.94 1whg n SER 47 Ca 0.00 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.65 1whg n SER 47 Cb 0.00 1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 65.29 1whg n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1whg s LEU 48 N 0.00 4.36 0.53 1.04 1.43 -1.26 -4.61 118.68 120.17 1whg s LEU 48 Ca 0.07 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1whg s LEU 48 Cb -0.02 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1whg s LEU 48 CO 0.04 -0.95 0.03 -0.13 0.23 0.00 0.00 176.35 175.57 1whg s ARG 49 N 0.40 2.24 -0.05 1.70 0.52 -0.95 -4.95 118.95 117.86 1whg s ARG 49 Ca 0.69 -2.43 -0.02 0.00 -0.52 0.00 0.00 55.73 53.45 1whg s ARG 49 Cb -0.49 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 33.47 1whg s ARG 49 CO 0.39 -0.44 0.08 1.03 0.02 0.00 0.00 175.30 176.38 1whg s ARG 50 N -3.94 -0.05 0.00 3.54 1.81 -1.26 -2.93 118.95 116.12 1whg s ARG 50 Ca 0.02 0.39 0.00 0.00 -1.72 0.00 0.00 55.73 54.43 1whg s ARG 50 Cb -0.00 -0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.07 1whg s ARG 50 CO 0.01 -0.30 0.00 0.41 -0.68 0.00 0.00 175.30 174.74 1whg n GLY 51 N 5.16 4.76 3.00 -3.53 0.00 -1.04 -3.97 105.19 109.57 1whg n GLY 51 Ca -0.07 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.20 0.08 0.10 2.61 2.01 -0.48 -2.58 115.64 117.18 1whg s THR 52 Ca 0.00 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1whg s THR 52 Cb 0.00 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1whg s THR 52 CO 0.00 -0.36 1.17 -0.69 -0.69 0.00 0.00 174.62 174.05 1whg s VAL 53 N -1.12 3.95 -0.01 3.82 1.01 -0.96 -1.30 120.40 125.80 1whg s VAL 53 Ca -0.12 1.49 -0.00 0.00 0.00 0.00 0.00 61.98 63.35 1whg s VAL 53 Cb -0.07 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1whg s VAL 53 CO -0.00 0.17 -0.01 0.23 0.00 0.00 0.00 175.10 175.49 1whg n MET 54 N 3.37 0.02 -4.03 2.72 2.81 -0.81 -1.01 117.12 120.19 1whg n MET 54 Ca 0.07 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.79 1whg n MET 54 Cb 0.46 -0.95 -0.16 0.00 -0.71 0.00 0.00 33.22 31.86 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 -2.01 0.47 -0.10 2.03 6.14 -1.26 -4.92 117.35 117.69 1whg s TYR 55 Ca -0.01 -0.08 -0.01 0.00 0.64 0.00 0.00 57.07 57.62 1whg s TYR 55 Cb 0.00 -0.47 0.03 0.00 0.42 0.00 0.00 41.96 41.94 1whg s TYR 55 CO 0.02 -0.13 -0.05 0.08 0.64 0.00 0.00 175.55 176.10 1whg s VAL 56 N 0.84 0.84 -5.00 3.14 1.01 -1.26 -1.40 120.40 118.56 1whg s VAL 56 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1whg s VAL 56 Cb -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1whg s VAL 56 CO -0.01 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1whg n GLY 57 N 5.00 -0.24 2.54 4.51 0.00 -1.06 -5.03 105.19 110.92 1whg n GLY 57 Ca -0.11 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1whg n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1whg n LEU 58 N 0.00 0.00 0.00 0.99 4.77 -1.26 -0.40 117.00 121.10 1whg n LEU 58 Ca 0.00 -0.95 -0.16 0.00 -0.03 0.00 0.00 56.01 54.88 1whg n LEU 58 Cb 0.00 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.35 1whg n LEU 58 CO 0.00 -1.21 -0.05 0.35 -1.33 0.00 0.00 177.39 175.16 1whg n THR 59 N -3.32 0.00 -1.40 -5.08 -2.24 -1.26 -4.72 114.28 96.26 1whg n THR 59 Ca 0.11 -1.94 0.08 0.00 -2.27 0.00 0.00 64.05 60.03 1whg n THR 59 Cb 0.39 1.00 0.16 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.88 1.91 0.00 3.42 9.92 -1.26 -4.73 116.55 123.93 1whg n ASP 60 Ca 0.06 -3.35 0.00 0.00 -0.53 0.00 0.00 54.79 50.96 1whg n ASP 60 Cb 0.50 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1whg n ASP 60 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1whg n PHE 61 N -1.16 0.00 -4.22 1.24 1.16 -1.26 -4.98 117.46 108.25 1whg n PHE 61 Ca 0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.57 1whg n PHE 61 Cb 0.69 0.10 -0.13 0.00 -1.61 0.00 0.00 39.48 38.52 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 -1.64 0.72 0.41 3.97 1.02 -1.26 -5.14 119.74 117.82 1whg s LYS 62 Ca 0.00 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.05 1whg s LYS 62 Cb 0.00 -0.66 -0.08 0.00 -0.52 0.00 0.00 37.83 36.57 1whg s LYS 62 CO 0.00 0.15 1.13 -1.25 -0.92 0.00 0.00 175.35 174.47 1whg s PRO 63 N -1.19 4.05 0.00 -1.68 0.04 -1.26 -4.42 135.00 130.54 1whg s PRO 63 Ca -0.02 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1whg s PRO 63 Cb -0.08 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1whg s PRO 63 CO 0.01 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1whg n GLY 64 N 0.54 -0.67 3.81 0.56 0.00 -1.26 -5.03 105.19 103.14 1whg n GLY 64 Ca 0.05 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.41 3.47 0.10 1.61 2.02 -1.26 -4.15 117.35 118.73 1whg s TYR 65 Ca 0.00 0.41 0.09 0.00 -0.37 0.00 0.00 57.07 57.20 1whg s TYR 65 Cb 0.00 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 1whg s TYR 65 CO 0.00 0.61 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.79 1whg s TRP 66 N -0.80 1.87 -0.19 2.71 0.52 0.46 -4.50 118.94 119.01 1whg s TRP 66 Ca 0.13 -0.41 -0.00 0.00 0.02 0.00 0.00 56.10 55.84 1whg s TRP 66 Cb -0.12 -1.03 0.05 0.00 -1.15 0.00 0.00 33.47 31.22 1whg s TRP 66 CO 0.03 0.22 -0.04 0.08 0.02 0.00 0.00 176.95 177.26 1whg s VAL 67 N -1.13 1.16 0.06 4.03 1.01 0.05 -2.55 120.40 123.04 1whg s VAL 67 Ca 0.08 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1whg s VAL 67 Cb -0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1whg s VAL 67 CO 0.04 0.02 1.16 -0.83 0.00 0.00 0.00 175.10 175.49 1whg s GLY 68 N 1.59 2.49 -0.14 4.51 0.00 -0.49 -2.55 107.32 112.74 1whg s GLY 68 Ca -0.01 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1whg s GLY 68 CO -0.07 1.98 -0.13 0.14 0.00 0.00 0.00 173.10 175.02 1whg s VAL 69 N 1.01 1.46 -0.24 1.40 1.01 -0.96 -1.91 120.40 122.17 1whg s VAL 69 Ca 0.57 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1whg s VAL 69 Cb -0.28 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1whg s VAL 69 CO 0.29 0.44 0.31 -0.60 0.00 0.00 0.00 175.10 175.54 1whg s ARG 70 N 1.51 4.08 0.15 2.72 3.52 -0.42 -1.93 118.95 128.59 1whg s ARG 70 Ca 0.04 -0.02 -0.07 0.00 -0.13 0.00 0.00 55.73 55.55 1whg s ARG 70 Cb -0.13 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 1whg s ARG 70 CO -0.10 -0.09 0.42 0.71 -0.81 0.00 0.00 175.30 175.44 1whg s TYR 71 N 1.49 3.48 0.17 5.12 2.02 -1.06 -1.39 117.35 127.19 1whg s TYR 71 Ca 0.14 0.68 -0.14 0.00 -0.37 0.00 0.00 57.07 57.37 1whg s TYR 71 Cb -0.15 -2.10 0.07 0.00 -0.40 0.00 0.00 41.96 39.39 1whg s TYR 71 CO 0.08 0.41 1.84 -0.44 -1.57 0.00 0.00 175.55 175.87 1whg h ASP 72 N 2.92 0.60 -1.77 2.29 3.32 -1.92 -3.44 116.42 118.42 1whg h ASP 72 Ca -0.47 -0.01 -0.44 0.00 0.02 0.00 0.00 57.03 56.13 1whg h ASP 72 Cb 1.17 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.58 1whg h ASP 72 CO 0.71 0.44 -0.31 -1.61 -1.72 0.00 0.00 179.24 176.74 1whg s GLU 73 N -6.15 3.06 -1.10 3.56 2.02 -1.26 -4.99 118.70 113.84 1whg s GLU 73 Ca -0.13 -1.03 -0.24 0.00 0.02 0.00 0.00 54.97 53.59 1whg s GLU 73 Cb 0.12 -2.80 -0.12 0.00 0.10 0.00 0.00 34.13 31.44 1whg s GLU 73 CO 0.74 -0.02 2.01 -1.25 0.02 0.00 0.00 175.26 176.76 1whg s PRO 74 N -4.23 2.15 -0.06 0.39 0.04 -1.26 -4.52 135.00 127.52 1whg s PRO 74 Ca 0.47 -0.77 0.24 0.00 0.04 0.00 0.00 61.00 60.98 1whg s PRO 74 Cb -0.10 -5.13 0.44 0.00 0.04 0.00 0.00 34.50 29.75 1whg s PRO 74 CO 0.32 -4.27 1.17 1.28 0.04 0.00 0.00 177.00 175.54 1whg n LEU 75 N 15.79 1.32 0.00 -3.56 4.77 -0.95 -4.93 117.00 129.43 1whg n LEU 75 Ca 0.43 -2.37 -0.14 0.00 -0.03 0.00 0.00 56.01 53.90 1whg n LEU 75 Cb 0.46 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1whg n LEU 75 CO 0.64 0.68 0.22 0.61 -1.33 0.00 0.00 177.39 178.21 1whg n GLY 76 N 0.18 2.11 0.32 -0.72 0.00 0.10 -4.85 105.19 102.34 1whg n GLY 76 Ca 0.08 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.80 0.00 -4.18 1.61 4.76 -1.26 -4.37 118.16 112.92 1whg n LYS 77 Ca 0.09 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.28 1whg n LYS 77 Cb 0.43 -0.80 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 1whg n LYS 77 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1whg s ASN 78 N -4.22 5.06 -0.12 4.39 0.01 -1.20 -4.48 114.94 114.39 1whg s ASN 78 Ca 0.00 -0.36 0.14 0.00 -0.71 0.00 0.00 52.86 51.94 1whg s ASN 78 Cb 0.00 -1.16 -0.24 0.00 0.41 0.00 0.00 41.25 40.26 1whg s ASN 78 CO 0.00 0.04 0.37 -0.90 -1.51 0.00 0.00 177.10 175.10 1whg n ASP 79 N -0.56 0.54 0.00 -1.22 5.68 -1.26 -3.15 116.55 116.57 1whg n ASP 79 Ca -0.08 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1whg n ASP 79 Cb 0.56 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.93 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 1.67 0.76 3.46 6.12 0.00 -1.26 -3.93 105.19 112.00 1whg n GLY 80 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 5.52 -0.25 1.61 1.04 -1.26 -2.40 113.70 117.96 1whg s SER 81 Ca 0.00 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1whg s SER 81 Cb 0.00 -2.00 0.06 0.00 0.10 0.00 0.00 66.02 64.18 1whg s SER 81 CO 0.00 -0.15 -0.09 -0.69 0.98 0.00 0.00 173.24 173.29 1whg s VAL 82 N 1.63 1.92 -1.65 5.02 1.01 0.11 -4.70 120.40 123.74 1whg s VAL 82 Ca 0.05 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1whg s VAL 82 Cb -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1whg s VAL 82 CO 0.06 -0.03 0.14 0.59 0.00 0.00 0.00 175.10 175.86 1whg n ASN 83 N 4.53 -5.75 0.00 3.32 5.03 -1.26 -1.55 115.26 119.58 1whg n ASN 83 Ca -0.14 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.24 1whg n ASN 83 Cb 0.43 -4.73 0.00 0.00 -1.02 0.00 0.00 39.78 34.46 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 -1.13 3.00 3.77 7.41 0.00 -1.26 -5.03 105.19 111.94 1whg n GLY 84 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.17 4.40 0.19 1.61 2.36 -0.59 -5.02 119.74 122.52 1whg s LYS 85 Ca 0.00 1.68 0.08 0.00 -2.55 0.00 0.00 55.97 55.18 1whg s LYS 85 Cb 0.00 -2.88 -0.04 0.00 -1.05 0.00 0.00 37.83 33.86 1whg s LYS 85 CO 0.00 0.03 -0.04 0.50 1.55 0.00 0.00 175.35 177.39 1whg s ARG 86 N -1.95 2.24 0.16 4.03 3.52 -1.26 0.05 118.95 125.74 1whg s ARG 86 Ca 0.51 -1.21 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 1whg s ARG 86 Cb -0.28 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1whg s ARG 86 CO 0.35 0.44 0.00 0.66 -0.81 0.00 0.00 175.30 175.94 1whg n TYR 87 N -0.13 -1.30 -4.65 5.12 4.02 -1.01 -5.00 117.16 114.22 1whg n TYR 87 Ca -0.10 0.23 -0.28 0.00 -0.01 0.00 0.00 57.90 57.74 1whg n TYR 87 Cb 0.56 0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 40.27 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 -3.10 0.95 -3.62 -0.72 -1.74 -1.26 -4.84 117.46 103.13 1whg n PHE 88 Ca 0.00 -2.23 -0.27 0.00 -0.56 0.00 0.00 57.45 54.39 1whg n PHE 88 Cb 0.00 -0.27 -0.11 0.00 1.52 0.00 0.00 39.48 40.63 1whg n PHE 88 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1whg n GLU 89 N -1.09 1.11 -4.29 3.97 1.02 -1.26 -4.73 120.64 115.37 1whg n GLU 89 Ca -0.17 -3.88 -0.16 0.00 -0.02 0.00 0.00 57.16 52.93 1whg n GLU 89 Cb 0.57 -1.97 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 1whg n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1whg s GLN 91 N -3.98 -0.86 0.47 0.00 -0.21 -1.26 -4.68 119.66 109.13 1whg s GLN 91 Ca 0.37 0.73 -0.12 0.00 0.02 0.00 0.00 55.36 56.37 1whg s GLN 91 Cb 0.07 -1.57 -0.06 0.00 1.00 0.00 0.00 33.01 32.44 1whg s GLN 91 CO 0.15 -3.65 0.87 0.00 -2.12 0.00 0.00 175.29 170.53 1whg s ALA 92 N -2.54 3.24 -1.72 6.09 0.00 -1.26 -3.93 121.76 121.64 1whg s ALA 92 Ca 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1whg s ALA 92 Cb -0.24 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1whg s ALA 92 CO 0.64 -0.18 0.22 1.63 0.00 0.00 0.00 175.76 178.07 1whg n LYS 93 N -1.61 -2.83 0.04 0.00 4.01 -1.25 -4.82 118.16 111.72 1whg n LYS 93 Ca 0.04 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.82 1whg n LYS 93 Cb 0.54 -5.73 0.00 0.00 -0.51 0.00 0.00 35.03 29.34 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 -4.20 -0.55 -3.18 2.13 4.01 -1.25 0.03 117.16 114.15 1whg n TYR 94 Ca -0.20 0.10 -0.45 0.00 -0.16 0.00 0.00 57.90 57.18 1whg n TYR 94 Cb 0.67 0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.89 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 -4.73 1.89 0.93 2.72 0.00 -1.19 -2.57 107.32 104.37 1whg s GLY 95 Ca 0.00 -2.35 -0.12 0.00 0.00 0.00 0.00 44.72 42.24 1whg s GLY 95 CO 0.00 1.46 1.27 0.00 0.00 0.00 0.00 173.10 175.83 1whg n ALA 96 N 5.95 -1.09 -3.84 3.20 0.00 -0.81 -3.24 120.51 120.68 1whg n ALA 96 Ca -0.10 -1.83 -0.30 0.00 0.00 0.00 0.00 53.44 51.20 1whg n ALA 96 Cb 0.42 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.75 2.23 0.27 0.00 0.08 -1.26 -2.26 117.98 113.28 1whg s PHE 97 Ca 0.74 -1.93 0.11 0.00 0.12 0.00 0.00 56.93 55.97 1whg s PHE 97 Cb -0.02 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1whg s PHE 97 CO 0.52 -0.85 -0.09 0.14 -0.10 0.00 0.00 175.22 174.84 1whg s VAL 98 N 1.44 3.04 0.34 -0.44 -7.23 -1.05 -4.92 120.40 111.57 1whg s VAL 98 Ca 0.06 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 57.98 1whg s VAL 98 Cb -0.18 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1whg s VAL 98 CO -0.16 -0.37 0.76 -0.54 -0.31 0.00 0.00 175.10 174.48 1whg s LYS 99 N -3.55 3.98 0.20 4.82 -0.14 -1.26 -0.77 119.74 123.02 1whg s LYS 99 Ca 0.30 0.67 -0.17 0.00 -1.36 0.00 0.00 55.97 55.42 1whg s LYS 99 Cb -0.06 -2.40 0.19 0.00 -1.68 0.00 0.00 37.83 33.88 1whg s LYS 99 CO 0.18 0.11 1.61 -1.35 -0.76 0.00 0.00 175.35 175.13 1whg h PRO 100 N 2.08 -0.08 -0.13 -1.68 0.11 -1.87 1.61 132.00 132.04 1whg h PRO 100 Ca -0.48 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1whg h PRO 100 Cb 1.18 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.65 -0.05 0.20 1.03 -0.21 0.00 0.00 178.00 179.61 1whg h SER 101 N -0.08 0.00 0.37 -2.05 0.87 -1.93 0.70 113.55 111.42 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 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1whg h SER 101 CO -0.67 0.00 -0.82 0.00 -0.53 0.00 0.00 176.83 174.80 1whg n ALA 102 N -2.21 3.76 -3.17 6.23 0.00 0.51 -4.83 120.51 120.79 1whg n ALA 102 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 53.44 52.66 1whg n ALA 102 Cb 0.30 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 4.01 -0.36 0.00 1.01 0.25 -2.05 120.40 120.17 1whg s VAL 103 Ca 0.07 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1whg s VAL 103 Cb 0.16 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1whg s VAL 103 CO 0.78 0.38 0.33 -0.89 0.00 0.00 0.00 175.10 175.70 1whg s THR 104 N 1.43 5.20 -0.14 3.92 2.01 0.21 -4.81 115.64 123.46 1whg s THR 104 Ca 0.05 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 1whg s THR 104 Cb -0.15 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1whg s THR 104 CO 0.01 -0.15 1.20 -0.69 -0.69 0.00 0.00 174.62 174.30 1whg s VAL 105 N 1.91 4.37 -0.12 3.82 1.01 -1.26 0.69 120.40 130.82 1whg s VAL 105 Ca 0.09 1.66 0.16 0.00 0.00 0.00 0.00 61.98 63.90 1whg s VAL 105 Cb -0.17 -4.07 -0.22 0.00 0.00 0.00 0.00 36.38 31.92 1whg s VAL 105 CO 0.11 -0.10 0.50 0.61 0.00 0.00 0.00 175.10 176.23 1whg n GLY 106 N 3.47 -1.06 2.83 4.51 0.00 -1.20 -4.81 105.19 108.93 1whg n GLY 106 Ca 0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1whg n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1whg s ASP 107 N -5.66 0.92 0.35 1.61 2.15 -1.24 -5.09 116.67 109.71 1whg s ASP 107 Ca -0.06 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 51.94 1whg s ASP 107 Cb 0.08 0.78 0.00 0.00 -0.30 0.00 0.00 42.92 43.48 1whg s ASP 107 CO 0.83 -0.32 0.00 -1.20 -0.17 0.00 0.00 175.17 174.31 1whg n SER 108 N 4.86 -0.63 -3.09 -0.34 7.64 -1.26 -4.53 113.62 116.27 1whg n SER 108 Ca 0.05 -0.04 -0.23 0.00 1.01 0.00 0.00 58.87 59.66 1whg n SER 108 Cb 0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.56 4.53 0.40 0.23 0.00 -1.26 -4.95 105.19 104.70 1whg n GLY 109 Ca 0.00 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 1whg n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1whg h PRO 110 N 3.12 -0.59 -3.41 1.61 0.11 -2.00 -3.49 132.00 127.35 1whg h PRO 110 Ca 0.12 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1whg h PRO 110 Cb 0.74 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1whg h PRO 110 CO 0.66 -0.40 -0.88 0.45 -0.21 0.00 0.00 178.00 177.63 1whg n SER 111 N -5.46 -7.76 -4.58 -2.05 2.88 -1.26 -4.65 113.62 90.74 1whg n SER 111 Ca -0.07 1.62 -0.42 0.00 -1.33 0.00 0.00 58.87 58.67 1whg n SER 111 Cb 0.37 -4.51 -0.03 0.00 -0.75 0.00 0.00 64.21 59.30 1whg n SER 111 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whg s SER 112 N -4.87 5.79 0.00 -3.46 0.01 -1.26 -5.31 113.70 104.60 1whg s SER 112 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1whg s SER 112 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1whg s SER 112 CO 0.00 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.40