#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 -7.71 -0.76 1.61 2.88 -1.26 -4.97 113.62 103.41 1whg n SER 2 Ca 0.00 0.74 0.05 0.00 -1.33 0.00 0.00 58.87 58.33 1whg n SER 2 Cb 0.00 -5.19 0.18 0.00 -0.75 0.00 0.00 64.21 58.45 1whg n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whg n SER 3 N -0.05 1.71 -1.18 -3.46 7.64 -1.26 -4.69 113.62 112.33 1whg n SER 3 Ca 0.08 -3.67 0.04 0.00 1.01 0.00 0.00 58.87 56.34 1whg n SER 3 Cb 0.32 -0.50 0.10 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.91 2.92 2.60 0.23 0.00 -1.26 -5.05 105.19 103.71 1whg n GLY 4 Ca 0.18 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 1whg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whg n SER 5 N -0.25 -6.84 -4.55 1.61 7.64 -1.26 -4.77 113.62 105.20 1whg n SER 5 Ca 0.13 1.31 -0.36 0.00 1.01 0.00 0.00 58.87 60.95 1whg n SER 5 Cb 0.94 -4.96 -0.03 0.00 -1.01 0.00 0.00 64.21 59.15 1whg n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whg s SER 6 N -1.41 4.52 0.00 6.43 1.04 -1.26 -3.58 113.70 119.45 1whg s SER 6 Ca -0.03 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1whg s SER 6 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1whg s SER 6 CO 0.72 -2.84 0.00 0.61 0.98 0.00 0.00 173.24 172.71 1whg n GLY 7 N 5.97 0.19 1.53 7.32 0.00 -1.26 -5.06 105.19 113.88 1whg n GLY 7 Ca 0.35 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.37 1whg n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whg n ASN 8 N 0.00 0.45 -0.02 1.61 4.05 -1.23 -4.87 115.26 115.24 1whg n ASN 8 Ca 0.00 -2.01 -0.07 0.00 0.45 0.00 0.00 54.58 52.95 1whg n ASN 8 Cb 0.00 -0.13 -0.13 0.00 1.23 0.00 0.00 39.78 40.75 1whg n ASN 8 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1whg n GLU 9 N 0.21 0.63 0.07 1.20 4.07 -1.26 -3.15 120.64 122.42 1whg n GLU 9 Ca -0.03 0.25 -0.21 0.00 -0.06 0.00 0.00 57.16 57.10 1whg n GLU 9 Cb 1.00 -1.77 -0.15 0.00 -0.06 0.00 0.00 31.44 30.46 1whg n GLU 9 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1whg h GLU 10 N 0.00 0.36 -0.07 5.31 3.07 -1.98 -3.35 114.58 117.92 1whg h GLU 10 Ca -0.28 -0.61 -0.15 0.00 -0.50 0.00 0.00 59.36 57.82 1whg h GLU 10 Cb 1.94 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 30.07 1whg h GLU 10 CO 0.07 1.26 -0.62 1.25 -1.40 0.00 0.00 179.01 179.57 1whg h LEU 11 N 0.10 0.30 -2.47 1.33 5.85 -1.91 -2.74 115.31 115.78 1whg h LEU 11 Ca -0.31 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1whg h LEU 11 Cb 2.08 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 43.02 1whg h LEU 11 CO 0.18 0.84 0.05 -0.09 -0.34 0.00 0.00 178.44 179.09 1whg h ARG 12 N 0.19 0.00 -0.08 1.25 2.43 -1.67 -1.01 114.38 115.49 1whg h ARG 12 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1whg h ARG 12 Cb 1.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1whg h ARG 12 CO 0.10 0.00 -0.04 0.00 -1.51 0.00 0.00 179.97 178.52 1whg n ALA 13 N -2.29 2.64 -0.03 2.80 0.00 -1.12 -4.59 120.51 117.92 1whg n ALA 13 Ca -0.02 -2.62 -0.03 0.00 0.00 0.00 0.00 53.44 50.77 1whg n ALA 13 Cb 0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 1whg n ALA 13 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1whg n GLN 14 N -1.17 2.98 -1.13 0.00 0.00 -0.41 -4.55 117.38 113.10 1whg n GLN 14 Ca 0.18 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.96 1whg n GLN 14 Cb 0.73 -1.16 0.17 0.00 0.00 0.00 0.00 30.24 29.97 1whg n GLN 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1whg n GLN 15 N -2.23 2.15 0.06 3.69 6.02 -1.04 -0.15 117.38 125.88 1whg n GLN 15 Ca -0.10 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.11 1whg n GLN 15 Cb 0.70 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.02 0.00 -0.05 -1.09 1.02 -1.26 -4.75 120.64 113.49 1whg n GLU 16 Ca 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.65 1whg n GLU 16 Cb 1.59 -0.43 -0.08 0.00 -0.02 0.00 0.00 31.44 32.50 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 -3.43 1.78 0.07 0.62 0.00 -1.26 -4.35 120.51 113.95 1whg n ALA 17 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.59 1whg n ALA 17 Cb 0.06 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.40 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 0.57 -1.08 0.00 4.39 -1.79 -3.29 114.58 113.39 1whg h GLU 18 Ca -0.26 -0.74 -0.54 0.00 0.34 0.00 0.00 59.36 58.16 1whg h GLU 18 Cb 1.56 0.24 -0.26 0.00 -0.10 0.00 0.00 28.75 30.20 1whg h GLU 18 CO 0.01 1.33 0.69 0.00 -1.16 0.00 0.00 179.01 179.88 1whg n ALA 19 N -2.66 5.71 -0.02 3.43 0.00 0.78 -3.53 120.51 124.23 1whg n ALA 19 Ca -0.13 -2.82 -0.03 0.00 0.00 0.00 0.00 53.44 50.46 1whg n ALA 19 Cb 0.92 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.72 1.91 -0.06 0.00 0.00 -1.24 -4.62 120.51 115.78 1whg n ALA 20 Ca 0.53 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.73 1whg n ALA 20 Cb 0.97 0.36 -0.11 0.00 0.00 0.00 0.00 19.45 20.67 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 -2.55 1.58 -1.13 0.00 6.02 -1.26 -4.47 117.38 115.57 1whg n GLN 21 Ca -0.08 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.66 1whg n GLN 21 Cb 0.59 -1.36 0.15 0.00 1.02 0.00 0.00 30.24 30.64 1whg n GLN 21 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1whg n ARG 22 N -2.46 2.18 -1.58 -1.09 5.12 -1.23 -4.12 116.66 113.48 1whg n ARG 22 Ca -0.21 -2.74 -0.01 0.00 -1.93 0.00 0.00 57.85 52.97 1whg n ARG 22 Cb 0.89 -2.07 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 -0.94 0.22 0.02 0.55 7.94 -1.26 -4.90 117.00 118.64 1whg n LEU 23 Ca 0.54 -2.21 -0.13 0.00 -1.11 0.00 0.00 56.01 53.10 1whg n LEU 23 Cb 1.42 0.06 -0.14 0.00 0.53 0.00 0.00 43.42 45.30 1whg n LEU 23 CO 0.57 0.98 -0.42 0.77 -1.11 0.00 0.00 177.39 178.19 1whg h SER 24 N 0.85 0.21 -0.26 1.96 4.64 -1.83 -3.04 113.55 116.09 1whg h SER 24 Ca -0.35 -0.35 -0.13 0.00 -0.47 0.00 0.00 61.79 60.49 1whg h SER 24 Cb 1.62 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1whg h SER 24 CO -0.04 1.30 -0.35 -0.33 -0.87 0.00 0.00 176.83 176.54 1whg h GLU 25 N 0.04 0.69 -0.05 4.77 5.08 -1.90 -2.68 114.58 120.52 1whg h GLU 25 Ca -0.26 -0.40 -0.12 0.00 -1.00 0.00 0.00 59.36 57.58 1whg h GLU 25 Cb 1.99 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 1whg h GLU 25 CO 0.12 1.02 -0.54 0.93 -1.00 0.00 0.00 179.01 179.54 1whg h GLU 26 N 0.42 0.15 -0.29 2.33 5.08 -1.93 -2.98 114.58 117.36 1whg h GLU 26 Ca 0.03 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1whg h GLU 26 Cb 0.93 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1whg h GLU 26 CO 0.08 0.65 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.31 1whg h LYS 27 N 0.12 0.53 -0.27 2.33 3.64 -1.47 0.80 116.57 122.24 1whg h LYS 27 Ca 0.00 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 1whg h LYS 27 Cb 0.98 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1whg h LYS 27 CO 0.08 0.71 -0.29 0.00 -2.27 0.00 0.00 179.45 177.68 1whg h ALA 28 N 1.30 0.98 0.17 5.00 0.00 -1.33 0.26 119.26 125.64 1whg h ALA 28 Ca 0.07 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 1whg h ALA 28 Cb 0.63 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.32 1whg h ALA 28 CO 0.04 0.60 -1.02 1.96 0.00 0.00 0.00 179.25 180.84 1whg h GLN 29 N 0.48 0.39 0.00 0.00 4.20 -1.41 -3.30 115.11 115.48 1whg h GLN 29 Ca 0.06 -0.65 -0.07 0.00 0.06 0.00 0.00 58.65 58.06 1whg h GLN 29 Cb 0.75 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1whg h GLN 29 CO 0.06 1.30 -0.32 0.00 -0.67 0.00 0.00 178.83 179.20 1whg h ALA 30 N 0.12 1.26 -0.80 3.87 0.00 -0.83 -2.93 119.26 119.95 1whg h ALA 30 Ca -0.18 -0.29 -0.55 0.00 0.00 0.00 0.00 54.91 53.89 1whg h ALA 30 Cb 1.80 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 19.30 1whg h ALA 30 CO 0.19 0.40 0.71 0.45 0.00 0.00 0.00 179.25 181.00 1whg n SER 31 N -3.85 7.25 -1.07 0.00 2.88 0.08 -4.05 113.62 114.85 1whg n SER 31 Ca -0.01 -3.52 -0.05 0.00 -1.33 0.00 0.00 58.87 53.96 1whg n SER 31 Cb 0.40 -1.01 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 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 -0.42 3.49 -3.53 -1.46 0.00 -1.11 -4.95 120.51 112.53 1whg n ALA 32 Ca 0.51 -0.96 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1whg n ALA 32 Cb 0.62 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.54 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 0.00 0.22 0.57 0.00 1.01 -1.26 -5.01 121.20 116.73 1whg s ILE 33 Ca 0.06 -1.38 -0.21 0.00 0.00 0.00 0.00 60.65 59.12 1whg s ILE 33 Cb 0.07 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1whg s ILE 33 CO -0.03 -0.86 1.31 -0.44 0.00 0.00 0.00 174.94 174.93 1whg s SER 34 N 1.46 5.18 -0.25 3.58 0.01 -1.26 -4.92 113.70 117.50 1whg s SER 34 Ca 0.14 2.66 -0.26 0.00 1.31 0.00 0.00 55.95 59.80 1whg s SER 34 Cb -0.20 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1whg s SER 34 CO -0.16 -1.62 0.91 -0.69 0.41 0.00 0.00 173.24 172.09 1whg s VAL 35 N -1.37 4.76 0.00 3.43 1.01 -1.26 -3.90 120.40 123.06 1whg s VAL 35 Ca 0.74 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.39 1whg s VAL 35 Cb -0.38 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1whg s VAL 35 CO 0.44 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1whg n GLY 36 N 3.69 1.97 2.98 4.51 0.00 -0.50 -5.00 105.19 112.84 1whg n GLY 36 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 1.86 0.09 1.61 0.01 -1.25 -4.94 113.70 109.08 1whg s SER 37 Ca 0.00 -0.30 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 1whg s SER 37 Cb 0.00 -0.82 -0.09 0.00 0.21 0.00 0.00 66.02 65.32 1whg s SER 37 CO 0.00 -0.01 1.76 -0.13 0.41 0.00 0.00 173.24 175.26 1whg s ARG 38 N 0.98 4.16 0.15 12.44 1.81 -1.26 -3.32 118.95 133.91 1whg s ARG 38 Ca -0.09 2.47 0.02 0.00 -1.72 0.00 0.00 55.73 56.42 1whg s ARG 38 Cb -0.15 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.66 1whg s ARG 38 CO -0.00 -0.80 -0.04 0.00 -0.68 0.00 0.00 175.30 173.77 1whg s GLU 40 N -3.85 4.28 -0.13 0.00 8.01 0.25 -2.65 118.70 124.62 1whg s GLU 40 Ca 0.18 0.26 -0.05 0.00 0.01 0.00 0.00 54.97 55.38 1whg s GLU 40 Cb 0.05 -3.42 -0.04 0.00 -4.31 0.00 0.00 34.13 26.41 1whg s GLU 40 CO 0.01 0.22 0.04 0.08 0.01 0.00 0.00 175.26 175.62 1whg s VAL 41 N 0.48 4.65 -0.23 2.63 1.01 -0.43 -0.72 120.40 127.78 1whg s VAL 41 Ca 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1whg s VAL 41 Cb -0.14 -3.02 0.08 0.00 0.00 0.00 0.00 36.38 33.31 1whg s VAL 41 CO 0.07 0.56 0.12 -0.60 0.00 0.00 0.00 175.10 175.24 1whg s ARG 42 N -0.46 0.13 0.07 2.72 3.00 -0.62 -2.33 118.95 121.47 1whg s ARG 42 Ca 0.09 -0.29 -0.05 0.00 -1.00 0.00 0.00 55.73 54.47 1whg s ARG 42 Cb -0.12 -1.47 -0.02 0.00 0.00 0.00 0.00 34.95 33.34 1whg s ARG 42 CO 0.02 -0.85 0.10 0.00 0.00 0.00 0.00 175.30 174.57 1whg s ALA 43 N 2.13 0.06 -0.83 6.12 0.00 -1.26 -4.65 121.76 123.33 1whg s ALA 43 Ca 0.06 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1whg s ALA 43 Cb -0.16 0.37 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 1whg s ALA 43 CO -0.23 -0.43 2.01 -0.35 0.00 0.00 0.00 175.76 176.75 1whg n PRO 44 N 0.13 1.82 0.00 0.00 -0.04 -1.26 -3.83 135.00 131.81 1whg n PRO 44 Ca -0.15 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1whg n PRO 44 Cb 0.61 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 5.28 1.38 0.00 3.54 8.00 -1.26 -5.08 116.55 128.41 1whg n ASP 45 Ca 0.44 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.94 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 -2.58 -1.91 -3.88 1.24 -0.00 -1.25 -5.18 115.22 101.66 1whg n HIS 46 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1whg n HIS 46 Cb 0.37 0.38 0.02 0.00 -0.12 0.00 0.00 29.99 30.65 1whg n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1whg s SER 47 N -0.32 0.02 0.31 0.26 0.15 -1.26 -5.08 113.70 107.78 1whg s SER 47 Ca 0.00 -0.81 -0.29 0.00 0.70 0.00 0.00 55.95 55.55 1whg s SER 47 Cb 0.00 0.58 -0.11 0.00 -1.71 0.00 0.00 66.02 64.78 1whg s SER 47 CO 0.00 -1.16 1.49 -0.76 1.20 0.00 0.00 173.24 174.01 1whg s LEU 48 N -3.38 4.36 0.05 3.45 1.43 -1.26 -4.73 118.68 118.60 1whg s LEU 48 Ca 0.21 2.87 0.02 0.00 -1.03 0.00 0.00 54.13 56.21 1whg s LEU 48 Cb -0.03 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1whg s LEU 48 CO 0.07 -0.80 -0.08 -0.13 0.23 0.00 0.00 176.35 175.65 1whg s ARG 49 N -1.08 0.60 -0.30 1.70 1.81 -0.98 -4.98 118.95 115.71 1whg s ARG 49 Ca 0.57 -0.89 -0.09 0.00 -1.72 0.00 0.00 55.73 53.61 1whg s ARG 49 Cb -0.45 -0.27 -0.00 0.00 -0.45 0.00 0.00 34.95 33.78 1whg s ARG 49 CO 0.52 0.03 0.12 1.03 -0.68 0.00 0.00 175.30 176.32 1whg s ARG 50 N -2.10 3.30 0.00 3.54 1.81 -1.26 -1.31 118.95 122.92 1whg s ARG 50 Ca -0.05 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1whg s ARG 50 Cb -0.06 -3.48 0.00 0.00 -0.45 0.00 0.00 34.95 30.95 1whg s ARG 50 CO -0.01 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 174.62 1whg n GLY 51 N 4.94 4.45 2.94 -3.53 0.00 -1.09 -4.01 105.19 108.90 1whg n GLY 51 Ca -0.14 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.51 0.64 0.19 2.61 2.01 -0.48 -1.72 115.64 117.39 1whg s THR 52 Ca 0.00 -0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 1whg s THR 52 Cb 0.00 -0.63 -0.11 0.00 0.01 0.00 0.00 72.50 71.78 1whg s THR 52 CO 0.00 0.23 1.60 -0.69 -0.69 0.00 0.00 174.62 175.08 1whg s VAL 53 N 0.65 2.41 -0.05 3.82 1.01 -1.21 -1.78 120.40 125.24 1whg s VAL 53 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1whg s VAL 53 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1whg s VAL 53 CO 0.01 0.03 -0.05 0.23 0.00 0.00 0.00 175.10 175.32 1whg n MET 54 N 3.70 0.21 -3.75 2.72 2.81 0.25 -1.41 117.12 121.64 1whg n MET 54 Ca 0.13 0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 55.92 1whg n MET 54 Cb 0.38 -1.11 -0.14 0.00 -0.71 0.00 0.00 33.22 31.64 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 -2.11 -0.22 -0.24 2.03 6.14 -1.23 -4.91 117.35 116.81 1whg s TYR 55 Ca -0.07 0.57 -0.00 0.00 0.64 0.00 0.00 57.07 58.21 1whg s TYR 55 Cb 0.02 -0.03 0.07 0.00 0.42 0.00 0.00 41.96 42.44 1whg s TYR 55 CO 0.13 -0.18 -0.01 0.08 0.64 0.00 0.00 175.55 176.21 1whg s VAL 56 N 1.08 1.26 -1.59 3.14 1.01 -1.26 0.19 120.40 124.23 1whg s VAL 56 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1whg s VAL 56 Cb -0.10 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1whg s VAL 56 CO -0.06 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1whg n GLY 57 N 4.76 -1.54 2.59 4.51 0.00 -1.00 -4.97 105.19 109.53 1whg n GLY 57 Ca -0.09 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.89 0.99 4.77 -1.26 -1.20 117.00 116.41 1whg n LEU 58 Ca 0.00 -0.72 -0.10 0.00 -0.03 0.00 0.00 56.01 55.16 1whg n LEU 58 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1whg n LEU 58 CO 0.00 -2.58 0.41 0.42 -1.33 0.00 0.00 177.39 174.30 1whg s THR 59 N -1.92 0.00 -0.08 -5.08 -4.23 -1.26 -4.71 115.64 98.36 1whg s THR 59 Ca 0.55 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1whg s THR 59 Cb -0.09 -2.73 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 1whg s THR 59 CO 0.46 0.00 -0.03 -0.67 -0.54 0.00 0.00 174.62 173.84 1whg n ASP 60 N -1.31 3.25 0.21 3.99 2.03 -1.26 -4.59 116.55 118.86 1whg n ASP 60 Ca -0.05 -0.03 0.05 0.00 0.52 0.00 0.00 54.79 55.28 1whg n ASP 60 Cb 0.60 0.26 0.48 0.00 -0.72 0.00 0.00 41.12 41.74 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 0.03 -3.20 -0.67 -5.15 -1.97 -3.44 116.94 102.54 1whg h PHE 61 Ca -0.20 -0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.46 1whg h PHE 61 Cb 1.38 -0.01 -0.19 0.00 0.22 0.00 0.00 35.95 37.36 1whg h PHE 61 CO 0.01 0.21 -0.29 0.15 -2.00 0.00 0.00 178.31 176.39 1whg s LYS 62 N -4.62 0.71 1.02 6.09 1.02 -1.26 -5.17 119.74 117.52 1whg s LYS 62 Ca -0.04 -0.35 -0.17 0.00 0.02 0.00 0.00 55.97 55.43 1whg s LYS 62 Cb 0.16 0.31 0.25 0.00 -0.52 0.00 0.00 37.83 38.03 1whg s LYS 62 CO 0.70 -0.21 0.97 -0.35 -0.92 0.00 0.00 175.35 175.54 1whg n PRO 63 N 0.99 -2.59 -1.45 -1.68 -0.04 -1.26 -4.25 135.00 124.72 1whg n PRO 63 Ca -0.20 -1.54 0.18 0.00 -0.04 0.00 0.00 63.50 61.90 1whg n PRO 63 Cb 0.57 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -3.54 -2.96 3.60 0.55 0.00 -1.26 -4.86 105.19 96.72 1whg n GLY 64 Ca 0.13 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.87 1.49 0.25 1.61 2.02 -1.26 -4.23 117.35 113.37 1whg s TYR 65 Ca 0.00 0.88 -0.07 0.00 -0.37 0.00 0.00 57.07 57.51 1whg s TYR 65 Cb 0.00 -3.26 -0.01 0.00 -0.40 0.00 0.00 41.96 38.29 1whg s TYR 65 CO 0.00 -3.43 0.38 -1.58 -1.57 0.00 0.00 175.55 169.36 1whg s TRP 66 N -2.85 0.73 -0.27 2.71 0.52 -0.34 -4.76 118.94 114.68 1whg s TRP 66 Ca 0.67 -1.02 -0.01 0.00 0.02 0.00 0.00 56.10 55.76 1whg s TRP 66 Cb -0.18 -0.07 0.13 0.00 -1.15 0.00 0.00 33.47 32.20 1whg s TRP 66 CO 0.59 -0.93 0.29 0.08 0.02 0.00 0.00 176.95 177.00 1whg s VAL 67 N -3.86 -0.40 -0.08 4.03 1.01 0.22 -2.38 120.40 118.94 1whg s VAL 67 Ca 0.29 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1whg s VAL 67 Cb 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1whg s VAL 67 CO 0.12 -0.41 1.46 -0.83 0.00 0.00 0.00 175.10 175.45 1whg s GLY 68 N 2.37 1.65 -0.06 4.51 0.00 0.13 -2.04 107.32 113.87 1whg s GLY 68 Ca 0.09 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.60 1whg s GLY 68 CO -0.29 2.73 -0.14 0.14 0.00 0.00 0.00 173.10 175.54 1whg s VAL 69 N 3.47 1.27 -0.17 1.40 1.01 -0.25 0.86 120.40 127.99 1whg s VAL 69 Ca 0.65 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1whg s VAL 69 Cb -0.29 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1whg s VAL 69 CO 0.24 0.38 0.06 -0.60 0.00 0.00 0.00 175.10 175.17 1whg s ARG 70 N 0.38 3.84 0.59 2.72 3.52 -0.73 -1.33 118.95 127.94 1whg s ARG 70 Ca -0.10 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1whg s ARG 70 Cb -0.14 -3.17 0.06 0.00 -1.56 0.00 0.00 34.95 30.15 1whg s ARG 70 CO 0.03 0.35 0.83 0.71 -0.81 0.00 0.00 175.30 176.41 1whg s TYR 71 N 0.15 2.45 0.01 5.12 2.02 -0.97 -1.39 117.35 124.74 1whg s TYR 71 Ca 0.05 -0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.69 1whg s TYR 71 Cb -0.12 -2.78 -0.24 0.00 -0.40 0.00 0.00 41.96 38.42 1whg s TYR 71 CO 0.01 -1.09 0.87 0.22 -1.57 0.00 0.00 175.55 173.98 1whg h ASP 72 N -0.07 0.10 -1.90 2.29 1.82 -1.92 -3.47 116.42 113.27 1whg h ASP 72 Ca -0.40 -0.16 -0.54 0.00 -0.39 0.00 0.00 57.03 55.54 1whg h ASP 72 Cb 1.29 -0.03 -0.08 0.00 0.68 0.00 0.00 39.33 41.19 1whg h ASP 72 CO 0.48 1.14 -0.54 -1.61 -1.61 0.00 0.00 179.24 177.10 1whg s GLU 73 N -2.63 2.38 -0.59 0.28 2.02 -1.26 -5.01 118.70 113.89 1whg s GLU 73 Ca -0.05 -1.53 -0.22 0.00 0.02 0.00 0.00 54.97 53.19 1whg s GLU 73 Cb 0.08 -2.19 -0.19 0.00 0.10 0.00 0.00 34.13 31.93 1whg s GLU 73 CO 0.83 0.13 1.84 -0.35 0.02 0.00 0.00 175.26 177.73 1whg n PRO 74 N -1.14 1.18 -0.04 0.39 -0.04 -1.26 -4.19 135.00 129.90 1whg n PRO 74 Ca -0.03 -1.59 -0.05 0.00 -0.04 0.00 0.00 63.50 61.79 1whg n PRO 74 Cb 0.61 -2.77 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 1whg n PRO 74 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1whg n LEU 75 N 7.48 0.44 0.00 1.53 4.77 -1.05 -4.94 117.00 125.23 1whg n LEU 75 Ca 0.47 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 56.24 1whg n LEU 75 Cb 0.37 0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.78 1whg n LEU 75 CO 1.03 0.28 0.23 0.61 -1.33 0.00 0.00 177.39 178.21 1whg n GLY 76 N 2.55 -3.64 1.46 -0.72 0.00 -1.00 -4.84 105.19 98.99 1whg n GLY 76 Ca -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.27 0.00 -1.60 1.61 5.02 -1.26 -4.00 118.16 113.65 1whg n LYS 77 Ca 0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 1whg n LYS 77 Cb 0.40 -0.28 0.06 0.00 -0.02 0.00 0.00 35.03 35.19 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 -5.45 4.80 -0.17 4.39 0.02 -1.23 -2.66 114.94 114.63 1whg s ASN 78 Ca 0.00 2.05 0.14 0.00 -1.02 0.00 0.00 52.86 54.03 1whg s ASN 78 Cb 0.00 -2.55 -0.20 0.00 0.02 0.00 0.00 41.25 38.52 1whg s ASN 78 CO 0.00 -1.84 0.04 -0.90 0.02 0.00 0.00 177.10 174.42 1whg n ASP 79 N -2.66 1.01 0.00 -1.22 5.75 -1.25 -3.03 116.55 115.14 1whg n ASP 79 Ca 0.11 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1whg n ASP 79 Cb 0.52 0.83 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 1whg n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1whg n GLY 80 N 2.01 1.31 3.18 6.12 0.00 -1.26 -4.14 105.19 112.42 1whg n GLY 80 Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 5.57 -0.15 1.61 1.04 -1.26 -2.41 113.70 118.11 1whg s SER 81 Ca 0.00 -1.95 0.02 0.00 0.48 0.00 0.00 55.95 54.50 1whg s SER 81 Cb 0.00 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.17 1whg s SER 81 CO 0.00 -0.65 -0.20 -0.69 0.98 0.00 0.00 173.24 172.68 1whg s VAL 82 N 1.30 2.18 -1.48 5.02 1.01 -0.55 -4.66 120.40 123.21 1whg s VAL 82 Ca 0.06 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1whg s VAL 82 Cb -0.25 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1whg s VAL 82 CO -0.02 0.54 0.68 0.59 0.00 0.00 0.00 175.10 176.89 1whg n ASN 83 N 4.17 -6.05 -1.21 3.32 5.03 -1.26 -1.80 115.26 117.46 1whg n ASN 83 Ca -0.20 -0.32 -0.11 0.00 0.87 0.00 0.00 54.58 54.83 1whg n ASN 83 Cb 0.51 -4.84 -0.00 0.00 -1.02 0.00 0.00 39.78 34.43 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 -1.58 -0.07 2.93 7.41 0.00 -1.26 -5.02 105.19 107.60 1whg n GLY 84 Ca -0.09 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.53 1.60 -0.09 1.61 2.47 -0.74 -5.13 119.74 114.92 1whg s LYS 85 Ca 0.00 -0.29 -0.11 0.00 -1.56 0.00 0.00 55.97 54.01 1whg s LYS 85 Cb -0.00 -1.59 -0.05 0.00 -1.46 0.00 0.00 37.83 34.73 1whg s LYS 85 CO 0.00 -0.23 0.24 0.50 0.16 0.00 0.00 175.35 176.03 1whg s ARG 86 N 1.55 3.76 0.00 4.03 3.52 -1.26 -1.48 118.95 129.07 1whg s ARG 86 Ca 0.02 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1whg s ARG 86 Cb -0.13 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1whg s ARG 86 CO -0.07 0.64 0.00 0.66 -0.81 0.00 0.00 175.30 175.72 1whg n TYR 87 N 2.28 0.00 -4.24 5.12 4.02 -1.01 -5.02 117.16 118.30 1whg n TYR 87 Ca -0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.57 1whg n TYR 87 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.80 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 -2.59 -0.50 -3.92 -0.72 -1.74 -1.26 -4.74 117.46 102.00 1whg n PHE 88 Ca 0.00 -2.13 -0.30 0.00 -0.56 0.00 0.00 57.45 54.46 1whg n PHE 88 Cb 0.48 0.19 -0.14 0.00 1.52 0.00 0.00 39.48 41.53 1whg n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1whg s GLU 89 N -3.06 1.66 0.18 3.97 8.01 -1.26 -4.83 118.70 123.36 1whg s GLU 89 Ca 0.28 -2.23 -0.21 0.00 0.01 0.00 0.00 54.97 52.82 1whg s GLU 89 Cb 0.01 -3.06 0.05 0.00 -4.31 0.00 0.00 34.13 26.83 1whg s GLU 89 CO 0.20 -1.06 0.58 0.00 0.01 0.00 0.00 175.26 174.99 1whg n GLN 91 N -0.37 -1.29 -3.14 0.00 7.27 -1.26 -4.61 117.38 113.98 1whg n GLN 91 Ca -0.13 -0.05 -0.22 0.00 0.07 0.00 0.00 57.00 56.67 1whg n GLN 91 Cb 0.63 -0.05 0.00 0.00 2.41 0.00 0.00 30.24 33.24 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1whg s ALA 92 N -2.77 3.82 -1.54 1.69 0.00 -1.26 -4.32 121.76 117.38 1whg s ALA 92 Ca 0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1whg s ALA 92 Cb -0.00 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1whg s ALA 92 CO 0.01 -0.25 0.69 1.63 0.00 0.00 0.00 175.76 177.84 1whg n LYS 93 N -1.95 -5.34 0.15 0.00 5.02 -1.09 -4.79 118.16 110.16 1whg n LYS 93 Ca -0.00 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1whg n LYS 93 Cb 0.57 -5.80 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 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 -4.60 -2.74 -2.92 2.13 4.01 -1.25 -2.37 117.16 109.44 1whg n TYR 94 Ca -0.10 0.58 -0.44 0.00 -0.16 0.00 0.00 57.90 57.79 1whg n TYR 94 Cb 0.61 1.04 -0.03 0.00 -0.31 0.00 0.00 39.34 40.65 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 -4.60 1.63 0.30 2.72 0.00 -1.17 -2.29 107.32 103.91 1whg s GLY 95 Ca 0.00 -2.24 0.02 0.00 0.00 0.00 0.00 44.72 42.50 1whg s GLY 95 CO 0.00 1.98 0.47 0.00 0.00 0.00 0.00 173.10 175.56 1whg s ALA 96 N 3.37 3.79 -0.26 3.20 0.00 -0.44 -3.58 121.76 127.83 1whg s ALA 96 Ca 0.25 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 1whg s ALA 96 Cb -0.13 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1whg s ALA 96 CO 0.02 0.09 0.09 -0.06 0.00 0.00 0.00 175.76 175.90 1whg s PHE 97 N -2.18 3.11 0.38 0.00 0.08 -1.26 -1.09 117.98 117.02 1whg s PHE 97 Ca 0.38 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.07 1whg s PHE 97 Cb -0.09 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 40.02 1whg s PHE 97 CO 0.33 -0.37 -0.02 0.14 -0.10 0.00 0.00 175.22 175.21 1whg s VAL 98 N 1.62 2.00 0.18 -0.44 -7.23 -0.87 -4.90 120.40 110.76 1whg s VAL 98 Ca 0.06 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1whg s VAL 98 Cb -0.15 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 1whg s VAL 98 CO 0.04 -0.07 0.42 -0.54 -0.31 0.00 0.00 175.10 174.64 1whg s LYS 99 N -3.69 3.63 0.20 4.82 -0.14 -1.26 0.73 119.74 124.02 1whg s LYS 99 Ca 0.34 -0.07 -0.18 0.00 -1.36 0.00 0.00 55.97 54.70 1whg s LYS 99 Cb 0.08 -2.80 0.18 0.00 -1.68 0.00 0.00 37.83 33.60 1whg s LYS 99 CO 0.17 0.41 1.60 -1.35 -0.76 0.00 0.00 175.35 175.43 1whg h PRO 100 N 2.55 -0.10 -0.15 -1.68 0.11 -1.87 1.61 132.00 132.46 1whg h PRO 100 Ca -0.46 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1whg h PRO 100 Cb 1.17 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1whg h PRO 100 CO 0.71 -0.07 0.22 1.03 -0.21 0.00 0.00 178.00 179.69 1whg h SER 101 N -0.10 0.00 0.60 -2.05 0.87 -1.94 0.82 113.55 111.75 1whg h SER 101 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1whg h SER 101 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1whg h SER 101 CO -0.68 0.00 -0.73 0.00 -0.53 0.00 0.00 176.83 174.90 1whg n ALA 102 N -2.23 3.30 -2.80 6.23 0.00 0.51 -4.86 120.51 120.67 1whg n ALA 102 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1whg n ALA 102 Cb 0.33 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.12 5.16 -0.18 0.00 1.01 0.28 -1.58 120.40 121.96 1whg s VAL 103 Ca 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1whg s VAL 103 Cb 0.15 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1whg s VAL 103 CO 0.74 0.53 0.01 -0.89 0.00 0.00 0.00 175.10 175.50 1whg s THR 104 N -0.31 0.71 -0.04 3.92 2.01 0.10 -4.86 115.64 117.17 1whg s THR 104 Ca 0.10 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1whg s THR 104 Cb -0.12 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1whg s THR 104 CO 0.01 -0.11 1.10 -0.69 -0.69 0.00 0.00 174.62 174.25 1whg s VAL 105 N 1.78 4.49 0.04 3.82 1.01 -1.26 0.86 120.40 131.14 1whg s VAL 105 Ca -0.01 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 1whg s VAL 105 Cb -0.17 -4.15 -0.28 0.00 0.00 0.00 0.00 36.38 31.79 1whg s VAL 105 CO -0.07 0.05 1.00 1.23 0.00 0.00 0.00 175.10 177.31 1whg h GLY 106 N 7.60 0.27 -5.44 4.51 0.00 -1.93 -3.48 103.07 104.61 1whg h GLY 106 Ca -0.36 -0.70 0.09 0.00 0.00 0.00 0.00 47.33 46.36 1whg h GLY 106 CO 0.83 0.61 0.56 -0.35 0.00 0.00 0.00 176.54 178.20 1whg s ASP 107 N -7.01 -0.35 0.24 0.19 2.15 -1.26 -5.15 116.67 105.48 1whg s ASP 107 Ca -0.06 0.66 0.06 0.00 0.43 0.00 0.00 52.55 53.64 1whg s ASP 107 Cb 0.07 0.66 -0.03 0.00 -0.30 0.00 0.00 42.92 43.32 1whg s ASP 107 CO 0.86 -0.13 0.28 -0.55 -0.17 0.00 0.00 175.17 175.46 1whg s SER 108 N 0.07 5.93 -0.35 -0.34 0.15 -1.26 -4.72 113.70 113.17 1whg s SER 108 Ca 0.04 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.61 1whg s SER 108 Cb -0.05 -1.64 0.14 0.00 -1.71 0.00 0.00 66.02 62.77 1whg s SER 108 CO -0.08 -0.05 0.24 -0.83 1.20 0.00 0.00 173.24 173.72 1whg s GLY 109 N -3.91 0.67 -0.09 9.45 0.00 -1.26 -5.12 107.32 107.08 1whg s GLY 109 Ca 0.33 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 1whg s GLY 109 CO 0.27 2.22 1.51 2.56 0.00 0.00 0.00 173.10 179.66 1whg s PRO 110 N 1.16 4.20 -1.12 2.90 0.04 -1.26 -4.92 135.00 136.00 1whg s PRO 110 Ca 0.18 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 1whg s PRO 110 Cb -0.21 -3.88 0.13 0.00 0.04 0.00 0.00 34.50 30.57 1whg s PRO 110 CO -0.00 -0.78 2.41 0.45 0.04 0.00 0.00 177.00 179.12 1whg n SER 111 N 6.83 7.68 -4.41 6.66 2.88 -1.26 -4.91 113.62 127.09 1whg n SER 111 Ca 0.16 -3.21 -0.44 0.00 -1.33 0.00 0.00 58.87 54.04 1whg n SER 111 Cb 0.43 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.54 1whg n SER 111 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whg s SER 112 N 0.20 6.18 0.00 -3.46 0.15 -1.26 -5.37 113.70 110.14 1whg s SER 112 Ca 0.54 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1whg s SER 112 Cb 0.23 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1whg s SER 112 CO -0.13 -1.21 0.01 0.61 1.20 0.00 0.00 173.24 173.72