#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 2.39 -1.09 1.61 7.64 -1.26 -4.61 113.62 118.30 1whg n SER 2 Ca 0.00 -3.64 0.02 0.00 1.01 0.00 0.00 58.87 56.26 1whg n SER 2 Cb 0.00 -0.46 0.13 0.00 -1.01 0.00 0.00 64.21 62.87 1whg n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whg n SER 3 N -0.86 1.82 0.00 6.43 7.64 -1.26 -4.85 113.62 122.53 1whg n SER 3 Ca 0.23 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1whg n SER 3 Cb 0.80 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.61 -0.21 0.56 0.23 0.00 -1.26 -5.08 105.19 98.82 1whg n GLY 4 Ca 0.17 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1whg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whg n SER 5 N 0.00 1.10 -3.28 1.61 2.88 -1.26 -5.05 113.62 109.61 1whg n SER 5 Ca 0.00 0.12 0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1whg n SER 5 Cb 0.00 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 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 -5.98 -0.63 0.34 -3.46 0.15 -1.26 -5.15 113.70 97.70 1whg s SER 6 Ca -0.17 0.62 -0.29 0.00 0.70 0.00 0.00 55.95 56.82 1whg s SER 6 Cb 0.06 1.62 -0.10 0.00 -1.71 0.00 0.00 66.02 65.89 1whg s SER 6 CO 0.22 -0.12 1.34 -0.83 1.20 0.00 0.00 173.24 175.05 1whg s GLY 7 N 2.68 2.98 -0.90 9.45 0.00 -1.26 -4.91 107.32 115.36 1whg s GLY 7 Ca 0.01 1.32 -0.24 0.00 0.00 0.00 0.00 44.72 45.81 1whg s GLY 7 CO -0.16 1.99 1.66 0.21 0.00 0.00 0.00 173.10 176.79 1whg s ASN 8 N -0.40 5.83 0.30 1.64 3.84 -1.26 -4.79 114.94 120.10 1whg s ASN 8 Ca 0.50 -0.87 0.09 0.00 0.21 0.00 0.00 52.86 52.79 1whg s ASN 8 Cb -0.41 -2.56 0.46 0.00 -0.55 0.00 0.00 41.25 38.19 1whg s ASN 8 CO 0.55 -2.09 1.69 -0.08 -2.79 0.00 0.00 177.10 174.37 1whg h GLU 9 N 10.90 0.11 -0.08 0.43 4.81 -2.01 -3.16 114.58 125.59 1whg h GLU 9 Ca 0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1whg h GLU 9 Cb 1.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1whg h GLU 9 CO 1.31 0.58 0.05 1.49 -0.73 0.00 0.00 179.01 181.71 1whg h GLU 10 N 0.09 0.10 -0.07 1.92 4.81 -2.02 -2.18 114.58 117.23 1whg h GLU 10 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1whg h GLU 10 Cb 0.90 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1whg h GLU 10 CO 0.07 0.07 0.05 1.25 -0.73 0.00 0.00 179.01 179.72 1whg h LEU 11 N 0.10 0.02 -2.43 1.64 5.85 -1.96 -0.72 115.31 117.81 1whg h LEU 11 Ca 0.03 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1whg h LEU 11 Cb -0.01 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1whg h LEU 11 CO -0.01 0.01 0.12 -0.09 -0.34 0.00 0.00 178.44 178.13 1whg h ARG 12 N 0.02 0.00 0.00 1.25 2.43 -1.36 -1.27 114.38 115.45 1whg h ARG 12 Ca 0.03 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.90 1whg h ARG 12 Cb 0.09 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1whg h ARG 12 CO -0.00 0.00 -2.15 0.00 -1.51 0.00 0.00 179.97 176.31 1whg n ALA 13 N -2.24 1.57 0.27 2.80 0.00 -0.38 -4.46 120.51 118.07 1whg n ALA 13 Ca -0.01 -0.90 0.09 0.00 0.00 0.00 0.00 53.44 52.63 1whg n ALA 13 Cb 0.21 0.01 0.69 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.00 0.00 5.75 -0.99 -2.01 115.11 116.86 1whg h GLN 14 Ca -0.45 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.38 1whg h GLN 14 Cb 1.74 0.00 -0.30 0.00 1.07 0.00 0.00 27.48 29.99 1whg h GLN 14 CO -0.06 0.01 0.72 1.04 -2.65 0.00 0.00 178.83 177.90 1whg n GLN 15 N -4.38 2.78 -0.06 1.69 1.13 -0.50 -4.17 117.38 113.87 1whg n GLN 15 Ca -0.03 -3.38 -0.05 0.00 -1.94 0.00 0.00 57.00 51.61 1whg n GLN 15 Cb 0.10 -2.29 -0.02 0.00 0.11 0.00 0.00 30.24 28.14 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 -0.89 0.34 -0.04 -1.09 1.02 -0.75 -4.70 120.64 114.53 1whg n GLU 16 Ca 0.61 0.32 -0.04 0.00 -0.02 0.00 0.00 57.16 58.03 1whg n GLU 16 Cb 0.68 -1.30 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 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 -3.50 1.83 0.19 0.62 0.00 -1.26 -4.28 120.51 114.12 1whg n ALA 17 Ca -0.07 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 1whg n ALA 17 Cb 0.26 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.59 -1.02 0.00 4.39 -1.89 0.21 114.58 115.68 1whg h GLU 18 Ca -0.18 0.04 -0.50 0.00 0.34 0.00 0.00 59.36 59.06 1whg h GLU 18 Cb 1.36 0.13 -0.28 0.00 -0.10 0.00 0.00 28.75 29.87 1whg h GLU 18 CO -0.00 -0.39 0.64 0.00 -1.16 0.00 0.00 179.01 178.10 1whg n ALA 19 N -2.58 5.50 0.00 3.43 0.00 -1.26 -4.28 120.51 121.33 1whg n ALA 19 Ca -0.09 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1whg n ALA 19 Cb 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.93 2.47 -0.03 0.00 0.00 -0.95 -4.74 120.51 116.32 1whg n ALA 20 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.91 1whg n ALA 20 Cb 1.37 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 20.96 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 -0.07 -0.06 0.00 5.75 -0.78 -0.80 115.11 119.15 1whg h GLN 21 Ca 0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1whg h GLN 21 Cb 0.33 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1whg h GLN 21 CO 0.00 -0.05 0.05 0.07 -2.65 0.00 0.00 178.83 176.25 1whg h ARG 22 N -0.07 0.00 -1.11 1.69 0.11 -1.78 -1.55 114.38 111.67 1whg h ARG 22 Ca 0.10 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.61 1whg h ARG 22 Cb 0.22 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 31.05 1whg h ARG 22 CO -0.23 0.00 0.73 -0.11 0.10 0.00 0.00 179.97 180.46 1whg n LEU 23 N -4.34 7.22 -0.04 0.08 7.94 -0.32 -4.33 117.00 123.22 1whg n LEU 23 Ca -0.01 -3.92 -0.13 0.00 -1.11 0.00 0.00 56.01 50.83 1whg n LEU 23 Cb 0.15 -0.97 -0.14 0.00 0.53 0.00 0.00 43.42 43.00 1whg n LEU 23 CO 0.33 1.34 -0.78 -1.54 -1.11 0.00 0.00 177.39 175.62 1whg n SER 24 N -0.65 1.19 -0.12 1.96 3.41 -0.58 -3.75 113.62 115.07 1whg n SER 24 Ca 0.54 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1whg n SER 24 Cb 0.78 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1whg n SER 24 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1whg h GLU 25 N 0.02 0.61 -0.65 4.33 4.81 -1.80 -2.56 114.58 119.34 1whg h GLU 25 Ca -0.39 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1whg h GLU 25 Cb 2.05 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.34 1whg h GLU 25 CO 0.06 0.73 0.34 0.93 -0.73 0.00 0.00 179.01 180.34 1whg h GLU 26 N 0.42 0.92 -0.04 1.92 5.08 -1.87 -2.14 114.58 118.88 1whg h GLU 26 Ca 0.10 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1whg h GLU 26 Cb 0.46 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1whg h GLU 26 CO 0.02 0.71 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.46 1whg h LYS 27 N 0.89 0.06 0.00 2.33 3.64 -1.62 0.51 116.57 122.38 1whg h LYS 27 Ca 0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1whg h LYS 27 Cb 0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1whg h LYS 27 CO -0.03 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1whg h ALA 28 N 1.88 1.00 0.00 5.00 0.00 -0.97 -1.45 119.26 124.72 1whg h ALA 28 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1whg h ALA 28 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1whg h ALA 28 CO 0.01 0.00 -2.09 0.00 0.00 0.00 0.00 179.25 177.17 1whg n GLN 29 N -2.96 1.28 0.11 0.00 10.64 -0.36 -4.44 117.38 121.65 1whg n GLN 29 Ca 0.02 -0.02 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1whg n GLN 29 Cb 0.38 -1.42 -0.03 0.00 -0.86 0.00 0.00 30.24 28.31 1whg n GLN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1whg h ALA 30 N 0.87 0.54 -0.86 2.61 0.00 -0.05 -3.27 119.26 119.10 1whg h ALA 30 Ca -0.41 -0.66 -0.55 0.00 0.00 0.00 0.00 54.91 53.29 1whg h ALA 30 Cb 1.91 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 19.33 1whg h ALA 30 CO 0.02 0.91 0.71 0.43 0.00 0.00 0.00 179.25 181.32 1whg n SER 31 N -3.30 6.43 -1.02 0.00 7.64 -0.55 -4.09 113.62 118.72 1whg n SER 31 Ca 0.01 -3.54 0.01 0.00 1.01 0.00 0.00 58.87 56.35 1whg n SER 31 Cb 0.82 -0.95 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.67 2.41 -3.63 -0.43 0.00 -1.23 -4.98 120.51 111.97 1whg n ALA 32 Ca 0.54 -1.48 -0.27 0.00 0.00 0.00 0.00 53.44 52.23 1whg n ALA 32 Cb 0.86 -0.54 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 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 0.06 0.74 0.00 1.01 -1.26 -5.06 121.20 116.69 1whg s ILE 33 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1whg s ILE 33 Cb 0.18 -0.73 0.05 0.00 0.01 0.00 0.00 42.46 41.96 1whg s ILE 33 CO -0.08 -0.33 1.14 -0.94 0.00 0.00 0.00 174.94 174.73 1whg s SER 34 N 2.07 4.38 -0.31 3.58 1.04 -1.26 -4.98 113.70 118.22 1whg s SER 34 Ca 0.02 2.09 -0.22 0.00 0.48 0.00 0.00 55.95 58.33 1whg s SER 34 Cb -0.16 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.40 1whg s SER 34 CO -0.12 -2.12 0.69 -0.69 0.98 0.00 0.00 173.24 171.98 1whg s VAL 35 N -2.41 4.87 0.00 5.02 1.01 -1.26 -4.08 120.40 123.56 1whg s VAL 35 Ca 0.68 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1whg s VAL 35 Cb -0.23 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1whg s VAL 35 CO 0.48 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1whg n GLY 36 N 4.37 1.94 3.22 4.51 0.00 0.83 -4.98 105.19 115.08 1whg n GLY 36 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 2.65 -0.31 1.61 0.01 -1.26 -4.87 113.70 109.54 1whg s SER 37 Ca 0.00 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 1whg s SER 37 Cb 0.00 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1whg s SER 37 CO 0.00 0.22 1.60 -0.13 0.41 0.00 0.00 173.24 175.35 1whg s ARG 38 N -0.19 3.61 0.17 12.44 0.52 -1.26 -2.00 118.95 132.23 1whg s ARG 38 Ca -0.00 1.39 0.06 0.00 -0.52 0.00 0.00 55.73 56.66 1whg s ARG 38 Cb -0.12 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1whg s ARG 38 CO 0.02 -1.52 -0.13 0.00 0.02 0.00 0.00 175.30 173.69 1whg s GLU 40 N -3.50 3.78 -0.10 0.00 2.02 0.26 -0.69 118.70 120.48 1whg s GLU 40 Ca 0.18 0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.41 1whg s GLU 40 Cb -0.00 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.47 1whg s GLU 40 CO 0.04 0.40 -0.15 0.08 0.02 0.00 0.00 175.26 175.65 1whg s VAL 41 N -1.69 1.41 -0.44 2.63 1.01 0.22 0.23 120.40 123.78 1whg s VAL 41 Ca 0.43 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1whg s VAL 41 Cb -0.12 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1whg s VAL 41 CO 0.21 0.42 0.38 -0.60 0.00 0.00 0.00 175.10 175.51 1whg s ARG 42 N 0.89 3.00 -0.04 2.72 3.52 -0.83 -0.65 118.95 127.55 1whg s ARG 42 Ca -0.09 -1.08 0.06 0.00 -0.13 0.00 0.00 55.73 54.48 1whg s ARG 42 Cb -0.15 -4.04 -0.02 0.00 -1.56 0.00 0.00 34.95 29.18 1whg s ARG 42 CO 0.00 -0.90 -0.21 0.00 -0.81 0.00 0.00 175.30 173.39 1whg s ALA 43 N 1.81 2.36 -1.12 6.12 0.00 -1.24 -4.92 121.76 124.77 1whg s ALA 43 Ca 0.07 -1.05 0.22 0.00 0.00 0.00 0.00 51.96 51.20 1whg s ALA 43 Cb -0.21 -0.75 0.98 0.00 0.00 0.00 0.00 23.12 23.14 1whg s ALA 43 CO 0.10 0.50 1.70 -0.35 0.00 0.00 0.00 175.76 177.71 1whg n PRO 44 N 2.55 0.09 0.38 0.00 -0.04 -1.26 -3.27 135.00 133.45 1whg n PRO 44 Ca -0.17 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 1whg n PRO 44 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.84 0.00 3.54 5.19 -2.02 -3.45 116.42 118.85 1whg h ASP 45 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1whg h ASP 45 Cb 0.33 0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1whg h ASP 45 CO 0.00 -0.48 0.00 1.57 -3.12 0.00 0.00 179.24 177.21 1whg n HIS 46 N -5.45 -0.07 -3.75 4.55 -0.00 -1.25 -5.17 115.22 104.08 1whg n HIS 46 Ca -0.13 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.06 1whg n HIS 46 Cb 0.40 0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 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 -2.68 0.00 -4.76 0.26 3.41 -1.20 -5.03 113.62 103.62 1whg n SER 47 Ca 0.00 -0.89 -0.41 0.00 -0.26 0.00 0.00 58.87 57.31 1whg n SER 47 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 4.42 0.04 1.04 1.43 -1.26 -3.72 118.68 120.63 1whg s LEU 48 Ca 0.00 2.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.76 1whg s LEU 48 Cb 0.00 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1whg s LEU 48 CO 0.00 -0.57 -0.08 -0.13 0.23 0.00 0.00 176.35 175.80 1whg s ARG 49 N -1.19 0.54 -0.07 1.70 1.81 0.17 -4.94 118.95 116.97 1whg s ARG 49 Ca 0.53 -0.72 -0.12 0.00 -1.72 0.00 0.00 55.73 53.70 1whg s ARG 49 Cb -0.40 -0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.71 1whg s ARG 49 CO 0.48 0.07 0.30 1.03 -0.68 0.00 0.00 175.30 176.49 1whg s ARG 50 N -1.45 3.82 0.32 3.54 1.81 -1.26 0.69 118.95 126.41 1whg s ARG 50 Ca -0.08 0.17 -0.10 0.00 -1.72 0.00 0.00 55.73 54.00 1whg s ARG 50 Cb -0.09 -3.25 0.04 0.00 -0.45 0.00 0.00 34.95 31.20 1whg s ARG 50 CO 0.00 0.64 0.60 0.41 -0.68 0.00 0.00 175.30 176.28 1whg n GLY 51 N 2.16 1.41 3.27 -3.53 0.00 0.13 -4.43 105.19 104.20 1whg n GLY 51 Ca -0.16 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.37 2.01 0.06 2.61 2.01 -1.22 0.71 115.64 119.45 1whg s THR 52 Ca 0.16 -1.06 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 1whg s THR 52 Cb -0.03 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.70 1whg s THR 52 CO 0.12 0.56 1.52 -0.69 -0.69 0.00 0.00 174.62 175.44 1whg s VAL 53 N -0.25 3.26 -0.06 3.82 1.01 -0.85 -3.55 120.40 123.79 1whg s VAL 53 Ca -0.01 0.75 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 1whg s VAL 53 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1whg s VAL 53 CO 0.03 0.01 -0.06 0.23 0.00 0.00 0.00 175.10 175.31 1whg n MET 54 N 5.12 0.14 -3.89 2.72 2.81 -0.54 -0.12 117.12 123.37 1whg n MET 54 Ca 0.14 0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1whg n MET 54 Cb 0.42 -1.06 -0.14 0.00 -0.71 0.00 0.00 33.22 31.73 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 -2.12 0.04 -0.26 2.03 6.14 -1.23 -4.88 117.35 117.07 1whg s TYR 55 Ca -0.08 -0.04 -0.03 0.00 0.64 0.00 0.00 57.07 57.56 1whg s TYR 55 Cb 0.02 -0.02 0.10 0.00 0.42 0.00 0.00 41.96 42.48 1whg s TYR 55 CO 0.13 -0.01 0.18 0.08 0.64 0.00 0.00 175.55 176.57 1whg s VAL 56 N -0.11 -0.19 -1.14 3.14 1.01 -1.26 -0.49 120.40 121.36 1whg s VAL 56 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1whg s VAL 56 Cb -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1whg s VAL 56 CO -0.00 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1whg n GLY 57 N 5.28 -1.42 3.29 4.51 0.00 -0.76 -4.98 105.19 111.10 1whg n GLY 57 Ca -0.05 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.07 0.00 0.99 1.43 -1.26 -1.52 118.68 117.25 1whg s LEU 58 Ca 0.00 1.00 0.05 0.00 -1.03 0.00 0.00 54.13 54.15 1whg s LEU 58 Cb 0.00 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1whg s LEU 58 CO 0.00 -5.39 0.26 0.35 0.23 0.00 0.00 176.35 171.80 1whg n THR 59 N -5.67 0.00 -1.51 5.49 -2.24 -1.26 -4.74 114.28 104.35 1whg n THR 59 Ca 0.11 -1.86 0.07 0.00 -2.27 0.00 0.00 64.05 60.09 1whg n THR 59 Cb 0.59 0.97 0.18 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.89 1.82 0.00 3.42 9.92 -1.26 -4.72 116.55 123.83 1whg n ASP 60 Ca 0.05 -3.59 0.00 0.00 -0.53 0.00 0.00 54.79 50.72 1whg n ASP 60 Cb 0.49 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -1.12 0.00 -4.29 1.24 1.16 -1.26 -4.95 117.46 108.24 1whg n PHE 61 Ca 0.17 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.55 1whg n PHE 61 Cb 0.70 0.19 -0.13 0.00 -1.61 0.00 0.00 39.48 38.63 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 -1.51 0.95 1.01 3.97 -0.14 -1.26 -5.15 119.74 117.60 1whg s LYS 62 Ca 0.00 -0.91 -0.13 0.00 -1.36 0.00 0.00 55.97 53.57 1whg s LYS 62 Cb 0.00 -1.00 0.19 0.00 -1.68 0.00 0.00 37.83 35.34 1whg s LYS 62 CO 0.00 0.24 1.11 -1.25 -0.76 0.00 0.00 175.35 174.69 1whg s PRO 63 N -1.50 0.37 0.08 -1.68 0.04 -1.26 -4.35 135.00 126.70 1whg s PRO 63 Ca 0.01 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1whg s PRO 63 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1whg s PRO 63 CO 0.02 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1whg n GLY 64 N -1.37 -2.21 3.73 0.56 0.00 -1.26 -4.87 105.19 99.77 1whg n GLY 64 Ca 0.06 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.42 3.73 0.19 1.61 2.02 -1.26 -4.41 117.35 116.80 1whg s TYR 65 Ca 0.00 1.64 0.08 0.00 -0.37 0.00 0.00 57.07 58.42 1whg s TYR 65 Cb 0.00 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1whg s TYR 65 CO 0.00 0.15 -0.01 -1.58 -1.57 0.00 0.00 175.55 172.54 1whg s TRP 66 N 0.34 2.80 -0.23 2.71 0.52 -0.58 -4.21 118.94 120.29 1whg s TRP 66 Ca 0.45 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.40 1whg s TRP 66 Cb -0.21 -1.34 0.07 0.00 -1.15 0.00 0.00 33.47 30.83 1whg s TRP 66 CO 0.27 0.53 0.01 0.08 0.02 0.00 0.00 176.95 177.85 1whg s VAL 67 N -1.80 1.04 -0.30 4.03 1.01 0.89 -1.82 120.40 123.45 1whg s VAL 67 Ca 0.28 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1whg s VAL 67 Cb -0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1whg s VAL 67 CO 0.18 -0.24 1.51 -0.83 0.00 0.00 0.00 175.10 175.72 1whg s GLY 68 N 1.61 1.18 -0.12 4.51 0.00 0.36 -2.87 107.32 111.98 1whg s GLY 68 Ca -0.01 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.93 1whg s GLY 68 CO -0.10 2.87 -0.17 0.14 0.00 0.00 0.00 173.10 175.84 1whg s VAL 69 N 5.26 1.66 0.07 1.40 1.01 -1.20 -1.46 120.40 127.15 1whg s VAL 69 Ca 0.66 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1whg s VAL 69 Cb -0.20 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 1whg s VAL 69 CO 0.29 0.47 0.41 -0.60 0.00 0.00 0.00 175.10 175.67 1whg s ARG 70 N 0.93 3.79 0.10 2.72 3.52 -1.23 -1.51 118.95 127.27 1whg s ARG 70 Ca -0.07 0.22 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 1whg s ARG 70 Cb -0.15 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1whg s ARG 70 CO -0.02 0.57 -0.08 0.71 -0.81 0.00 0.00 175.30 175.68 1whg s TYR 71 N -1.36 2.80 0.15 5.12 2.02 -1.12 -3.43 117.35 121.53 1whg s TYR 71 Ca 0.32 -0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 1whg s TYR 71 Cb -0.14 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1whg s TYR 71 CO 0.17 0.44 1.67 -0.44 -1.57 0.00 0.00 175.55 175.82 1whg h ASP 72 N 3.57 0.72 -3.28 2.29 3.32 -1.90 -3.44 116.42 117.70 1whg h ASP 72 Ca -0.49 -0.21 -0.56 0.00 0.02 0.00 0.00 57.03 55.79 1whg h ASP 72 Cb 1.17 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1whg h ASP 72 CO 0.54 0.74 -0.22 -1.61 -1.72 0.00 0.00 179.24 176.98 1whg s GLU 73 N -5.38 3.72 -1.11 3.56 0.41 -1.26 -4.99 118.70 113.66 1whg s GLU 73 Ca -0.13 0.10 -0.23 0.00 -0.41 0.00 0.00 54.97 54.31 1whg s GLU 73 Cb 0.11 -2.78 -0.10 0.00 -1.78 0.00 0.00 34.13 29.58 1whg s GLU 73 CO 0.78 0.41 1.93 -0.35 -0.49 0.00 0.00 175.26 177.54 1whg n PRO 74 N 0.08 1.59 -1.42 0.39 -0.04 -1.26 -4.48 135.00 129.87 1whg n PRO 74 Ca -0.02 -2.36 0.03 0.00 -0.04 0.00 0.00 63.50 61.12 1whg n PRO 74 Cb 0.52 -3.57 0.07 0.00 -0.04 0.00 0.00 33.50 30.47 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 13.03 1.54 -4.98 1.53 4.77 -0.94 -4.87 117.00 127.09 1whg n LEU 75 Ca 0.46 -2.59 -0.20 0.00 -0.03 0.00 0.00 56.01 53.65 1whg n LEU 75 Cb 0.45 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1whg n LEU 75 CO 0.75 0.79 0.20 -0.83 -1.33 0.00 0.00 177.39 176.98 1whg s GLY 76 N -2.47 1.69 -0.16 -0.72 0.00 -0.96 -4.86 107.32 99.84 1whg s GLY 76 Ca 0.35 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.83 1whg s GLY 76 CO -0.13 -1.18 -0.01 0.28 0.00 0.00 0.00 173.10 172.06 1whg n LYS 77 N -1.95 1.24 -3.81 2.90 4.76 -1.23 -4.16 118.16 115.92 1whg n LYS 77 Ca 0.03 0.03 -0.24 0.00 -2.87 0.00 0.00 58.31 55.26 1whg n LYS 77 Cb 0.58 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.35 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 -5.14 4.75 -0.10 4.39 0.01 -0.56 -4.67 114.94 113.62 1whg s ASN 78 Ca -0.13 -0.99 0.04 0.00 -0.71 0.00 0.00 52.86 51.07 1whg s ASN 78 Cb 0.05 -0.23 -0.09 0.00 0.41 0.00 0.00 41.25 41.39 1whg s ASN 78 CO 0.57 -0.77 -0.04 -0.90 -1.51 0.00 0.00 177.10 174.45 1whg n ASP 79 N -1.54 3.05 0.00 -1.22 5.75 -1.26 -3.10 116.55 118.23 1whg n ASP 79 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1whg n ASP 79 Cb 0.63 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 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 2.77 1.14 3.37 6.12 0.00 -1.26 -4.27 105.19 113.05 1whg n GLY 80 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.73 -0.16 1.61 0.01 -1.26 -2.50 113.70 116.13 1whg s SER 81 Ca 0.00 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1whg s SER 81 Cb 0.00 -1.83 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1whg s SER 81 CO 0.00 -0.04 -0.14 -0.69 0.41 0.00 0.00 173.24 172.77 1whg s VAL 82 N 1.54 1.63 -1.76 3.43 1.01 0.19 -4.70 120.40 121.74 1whg s VAL 82 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.34 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 0.00 0.44 0.00 0.59 0.00 0.00 0.00 175.10 176.14 1whg n ASN 83 N 4.75 -5.73 0.00 3.32 5.03 -1.26 -1.57 115.26 119.80 1whg n ASN 83 Ca -0.17 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1whg n ASN 83 Cb 0.50 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.49 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 -0.98 2.90 3.76 7.41 0.00 -1.26 -5.03 105.19 111.98 1whg n GLY 84 Ca -0.24 0.00 -0.40 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 -0.01 4.72 0.25 1.61 2.20 -0.61 -5.02 119.74 122.89 1whg s LYS 85 Ca 0.00 1.63 0.11 0.00 -0.36 0.00 0.00 55.97 57.35 1whg s LYS 85 Cb 0.00 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 1whg s LYS 85 CO 0.00 0.34 -0.17 0.50 -0.36 0.00 0.00 175.35 175.66 1whg s ARG 86 N -1.40 1.77 0.00 4.03 3.52 -1.26 0.53 118.95 126.13 1whg s ARG 86 Ca 0.44 -1.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 1whg s ARG 86 Cb -0.28 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1whg s ARG 86 CO 0.36 0.36 0.00 0.66 -0.81 0.00 0.00 175.30 175.86 1whg n TYR 87 N -0.42 0.00 -4.34 5.12 4.02 -1.04 -5.01 117.16 115.50 1whg n TYR 87 Ca -0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.63 1whg n TYR 87 Cb 0.59 0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 40.00 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 -2.46 -0.12 -4.03 -0.72 -1.74 -1.26 -4.69 117.46 102.45 1whg n PHE 88 Ca 0.00 -2.08 -0.33 0.00 -0.56 0.00 0.00 57.45 54.48 1whg n PHE 88 Cb 0.25 0.07 -0.15 0.00 1.52 0.00 0.00 39.48 41.16 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 -3.16 2.54 -0.12 3.97 2.02 -1.26 -4.82 118.70 117.88 1whg s GLU 89 Ca 0.21 -1.16 -0.33 0.00 0.02 0.00 0.00 54.97 53.71 1whg s GLU 89 Cb 0.01 -2.90 0.14 0.00 0.10 0.00 0.00 34.13 31.47 1whg s GLU 89 CO 0.15 -0.47 1.31 0.00 0.02 0.00 0.00 175.26 176.26 1whg n GLN 91 N -0.31 -1.16 -2.25 0.00 -0.06 -1.26 -4.64 117.38 107.70 1whg n GLN 91 Ca -0.04 -1.62 -0.28 0.00 -2.00 0.00 0.00 57.00 53.06 1whg n GLN 91 Cb 0.61 -1.11 0.03 0.00 -4.06 0.00 0.00 30.24 25.71 1whg n GLN 91 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whg s ALA 92 N -3.91 3.19 -1.56 1.69 0.00 -1.26 -4.14 121.76 115.77 1whg s ALA 92 Ca 0.60 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1whg s ALA 92 Cb -0.02 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1whg s ALA 92 CO 0.42 -0.86 0.58 1.63 0.00 0.00 0.00 175.76 177.54 1whg n LYS 93 N -2.69 -4.75 0.10 0.00 5.02 -1.20 -4.81 118.16 109.84 1whg n LYS 93 Ca 0.05 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1whg n LYS 93 Cb 0.57 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 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 -4.50 -1.78 -2.97 2.13 4.01 -1.24 -2.22 117.16 110.58 1whg n TYR 94 Ca -0.12 0.32 -0.40 0.00 -0.16 0.00 0.00 57.90 57.53 1whg n TYR 94 Cb 0.62 0.53 -0.04 0.00 -0.31 0.00 0.00 39.34 40.14 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 -4.94 2.69 -0.18 2.72 0.00 -1.18 -2.78 107.32 103.64 1whg s GLY 95 Ca 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.94 1whg s GLY 95 CO 0.00 1.28 -0.14 0.00 0.00 0.00 0.00 173.10 174.24 1whg s ALA 96 N 0.82 2.51 -0.59 3.20 0.00 -0.57 -1.50 121.76 125.63 1whg s ALA 96 Ca 0.41 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 1whg s ALA 96 Cb -0.18 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.63 1whg s ALA 96 CO 0.20 -0.25 1.26 -0.06 0.00 0.00 0.00 175.76 176.92 1whg s PHE 97 N 1.16 2.48 0.54 0.00 0.08 -1.26 -3.26 117.98 117.72 1whg s PHE 97 Ca 0.01 0.38 0.04 0.00 0.12 0.00 0.00 56.93 57.48 1whg s PHE 97 Cb -0.14 -4.50 0.03 0.00 -0.57 0.00 0.00 43.02 37.84 1whg s PHE 97 CO -0.06 -1.75 0.27 0.14 -0.10 0.00 0.00 175.22 173.73 1whg s VAL 98 N 5.35 1.41 0.11 -0.44 -7.23 -1.14 -4.91 120.40 113.56 1whg s VAL 98 Ca 0.45 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 1whg s VAL 98 Cb -0.08 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1whg s VAL 98 CO 0.24 0.00 0.01 -0.54 -0.31 0.00 0.00 175.10 174.50 1whg s LYS 99 N -4.16 2.54 0.20 4.82 -0.14 -1.26 -0.08 119.74 121.66 1whg s LYS 99 Ca 0.23 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.76 1whg s LYS 99 Cb -0.01 -2.51 0.17 0.00 -1.68 0.00 0.00 37.83 33.80 1whg s LYS 99 CO 0.14 0.52 1.60 -1.35 -0.76 0.00 0.00 175.35 175.50 1whg h PRO 100 N 3.20 -0.10 -0.14 -1.68 0.11 -1.91 1.60 132.00 133.09 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 32.30 1whg h PRO 100 CO 0.60 -0.07 0.22 0.66 -0.21 0.00 0.00 178.00 179.19 1whg h SER 101 N -0.11 0.00 0.55 -2.05 4.64 -1.93 0.78 113.55 115.43 1whg h SER 101 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1whg h SER 101 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1whg h SER 101 CO -0.68 0.00 -0.80 0.00 -0.87 0.00 0.00 176.83 174.48 1whg n ALA 102 N -2.21 3.36 -2.66 5.18 0.00 0.51 -4.90 120.51 119.79 1whg n ALA 102 Ca 0.01 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 1whg n ALA 102 Cb 0.32 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 5.15 -0.16 0.00 1.01 0.27 -1.97 120.40 121.56 1whg s VAL 103 Ca 0.06 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1whg s VAL 103 Cb 0.15 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.96 1whg s VAL 103 CO 0.76 0.04 0.04 -0.89 0.00 0.00 0.00 175.10 175.05 1whg s THR 104 N -1.66 0.36 0.05 3.92 2.01 0.14 -4.90 115.64 115.55 1whg s THR 104 Ca 0.41 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1whg s THR 104 Cb -0.12 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1whg s THR 104 CO 0.24 -0.12 0.85 -0.69 -0.69 0.00 0.00 174.62 174.22 1whg s VAL 105 N 1.94 4.70 -0.17 3.82 1.01 -1.26 0.93 120.40 131.37 1whg s VAL 105 Ca 0.01 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 1whg s VAL 105 Cb -0.16 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1whg s VAL 105 CO -0.07 0.31 -0.24 0.61 0.00 0.00 0.00 175.10 175.71 1whg n GLY 106 N 2.47 -0.31 0.18 4.51 0.00 -1.25 -4.70 105.19 106.09 1whg n GLY 106 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1whg n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1whg h ASP 107 N -0.66 0.57 -5.24 1.61 3.32 -1.94 -3.49 116.42 110.59 1whg h ASP 107 Ca -0.41 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.21 1whg h ASP 107 Cb 1.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1whg h ASP 107 CO -0.25 0.87 -0.30 -1.20 -1.72 0.00 0.00 179.24 176.64 1whg n SER 108 N -4.44 -7.72 -2.68 6.45 7.64 -1.26 -4.60 113.62 107.00 1whg n SER 108 Ca -0.04 0.30 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 1whg n SER 108 Cb 0.37 -5.24 -0.03 0.00 -1.01 0.00 0.00 64.21 58.31 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 -0.86 -4.69 3.69 0.23 0.00 -1.26 -4.78 105.19 97.52 1whg n GLY 109 Ca 0.07 1.17 -0.54 0.00 0.00 0.00 0.00 46.02 46.72 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 1.28 1.56 -1.43 1.61 -0.02 -1.26 -4.87 135.00 131.86 1whg n PRO 110 Ca -0.22 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.59 1whg n PRO 110 Cb 0.36 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.60 1whg n PRO 110 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1whg n SER 111 N 6.04 5.28 0.00 2.55 3.41 -1.26 -4.66 113.62 124.99 1whg n SER 111 Ca 0.25 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 1whg n SER 111 Cb 0.20 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1whg n SER 111 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whg n SER 112 N -0.92 0.00 0.00 4.04 7.64 -1.26 -5.29 113.62 117.83 1whg n SER 112 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1whg n SER 112 Cb 0.93 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1whg n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64