#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 -3.42 -3.65 1.61 2.88 -1.26 -5.01 113.62 104.78 1whg n SER 2 Ca 0.00 1.37 -0.30 0.00 -1.33 0.00 0.00 58.87 58.60 1whg n SER 2 Cb 0.00 -5.25 0.25 0.00 -0.75 0.00 0.00 64.21 58.46 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 1.28 -1.66 -4.08 -3.46 7.64 -1.26 -5.09 113.62 106.99 1whg n SER 3 Ca -0.25 -1.25 -0.12 0.00 1.01 0.00 0.00 58.87 58.26 1whg n SER 3 Cb 0.39 -1.03 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 1whg n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whg s GLY 4 N -4.81 0.56 0.44 0.23 0.00 -1.26 -5.04 107.32 97.44 1whg s GLY 4 Ca 0.73 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1whg s GLY 4 CO 0.55 -0.98 0.00 -1.26 0.00 0.00 0.00 173.10 171.41 1whg n SER 5 N 1.05 -3.62 -3.69 1.64 2.88 -1.26 -5.13 113.62 105.49 1whg n SER 5 Ca -0.20 0.83 -0.13 0.00 -1.33 0.00 0.00 58.87 58.04 1whg n SER 5 Cb 0.56 3.40 -0.13 0.00 -0.75 0.00 0.00 64.21 67.29 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 -2.34 0.04 0.00 -3.46 0.15 -1.26 -5.12 113.70 101.72 1whg s SER 6 Ca 0.00 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1whg s SER 6 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1whg s SER 6 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1whg n GLY 7 N 4.79 1.49 2.64 9.45 0.00 -1.26 -5.09 105.19 117.21 1whg n GLY 7 Ca -0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1whg n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whg n ASN 8 N 0.00 -6.14 -0.08 1.61 3.02 -1.26 -4.99 115.26 107.42 1whg n ASN 8 Ca 0.00 1.36 -0.08 0.00 -0.03 0.00 0.00 54.58 55.83 1whg n ASN 8 Cb 0.00 -5.16 -0.12 0.00 -0.61 0.00 0.00 39.78 33.89 1whg n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1whg n GLU 9 N 0.89 1.35 0.10 3.52 4.71 -1.26 -4.46 120.64 125.49 1whg n GLU 9 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.03 1whg n GLU 9 Cb 0.14 -1.40 0.18 0.00 -1.01 0.00 0.00 31.44 29.35 1whg n GLU 9 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1whg h GLU 10 N 0.00 0.19 -0.03 3.49 5.08 -2.03 -2.90 114.58 118.38 1whg h GLU 10 Ca -0.43 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1whg h GLU 10 Cb 1.94 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 1whg h GLU 10 CO 0.01 0.67 0.03 1.25 -1.00 0.00 0.00 179.01 179.97 1whg h LEU 11 N 0.15 0.00 -2.26 1.33 5.85 -1.97 -1.12 115.31 117.29 1whg h LEU 11 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1whg h LEU 11 Cb 0.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1whg h LEU 11 CO 0.08 0.00 0.15 0.03 -0.34 0.00 0.00 178.44 178.36 1whg h ARG 12 N 0.00 0.00 0.00 1.25 -0.00 -1.75 -0.89 114.38 112.99 1whg h ARG 12 Ca 0.02 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 59.19 1whg h ARG 12 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 29.98 1whg h ARG 12 CO -0.00 0.00 -1.86 0.00 0.00 0.00 0.00 179.97 178.11 1whg n ALA 13 N -2.36 1.53 0.15 0.04 0.00 -0.44 -4.13 120.51 115.29 1whg n ALA 13 Ca 0.01 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.55 1whg n ALA 13 Cb 0.26 -0.70 0.21 0.00 0.00 0.00 0.00 19.45 19.23 1whg n ALA 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whg h GLN 14 N 0.00 0.00 -1.02 0.00 1.08 -1.10 -3.11 115.11 110.97 1whg h GLN 14 Ca -0.34 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.19 1whg h GLN 14 Cb 2.04 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 29.18 1whg h GLN 14 CO 0.07 0.56 0.87 1.04 -0.95 0.00 0.00 178.83 180.42 1whg n GLN 15 N -3.84 2.67 0.00 1.46 6.02 -0.45 -2.68 117.38 120.57 1whg n GLN 15 Ca -0.01 -3.26 0.00 0.00 -0.01 0.00 0.00 57.00 53.72 1whg n GLN 15 Cb 0.58 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.56 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 -0.89 0.00 -0.06 -1.09 1.02 -1.17 -4.69 120.64 113.76 1whg n GLU 16 Ca 0.62 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.69 1whg n GLU 16 Cb 0.65 -0.54 -0.07 0.00 -0.02 0.00 0.00 31.44 31.47 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 -2.57 1.72 0.04 0.62 0.00 -1.25 -4.31 120.51 114.76 1whg n ALA 17 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1whg n ALA 17 Cb 0.34 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 0.29 -1.14 0.00 4.39 -1.82 -3.00 114.58 113.30 1whg h GLU 18 Ca -0.29 -0.50 -0.58 0.00 0.34 0.00 0.00 59.36 58.33 1whg h GLU 18 Cb 1.54 0.18 -0.25 0.00 -0.10 0.00 0.00 28.75 30.13 1whg h GLU 18 CO -0.02 1.24 0.75 0.00 -1.16 0.00 0.00 179.01 179.82 1whg n ALA 19 N -2.75 6.01 0.00 3.43 0.00 -1.09 -3.82 120.51 122.29 1whg n ALA 19 Ca -0.17 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1whg n ALA 19 Cb 0.85 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.58 1.90 -0.01 0.00 0.00 -1.25 -4.66 120.51 115.91 1whg n ALA 20 Ca 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.81 1whg n ALA 20 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 1whg n ALA 20 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1whg h GLN 21 N 0.00 0.66 0.06 0.00 4.20 -1.71 -2.31 115.11 116.01 1whg h GLN 21 Ca 0.00 -0.58 -0.26 0.00 0.06 0.00 0.00 58.65 57.87 1whg h GLN 21 Cb 0.00 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1whg h GLN 21 CO 0.00 1.19 -1.26 0.00 -0.67 0.00 0.00 178.83 178.09 1whg h ARG 22 N 0.33 0.12 -1.01 1.46 2.47 -1.77 -3.29 114.38 112.69 1whg h ARG 22 Ca -0.06 -0.20 -0.51 0.00 -1.26 0.00 0.00 59.98 57.95 1whg h ARG 22 Cb 1.36 0.07 -0.29 0.00 -1.65 0.00 0.00 29.97 29.47 1whg h ARG 22 CO 0.15 1.01 0.65 -0.11 0.56 0.00 0.00 179.97 182.23 1whg n LEU 23 N -3.38 6.68 0.09 3.04 7.94 -1.24 -4.42 117.00 125.71 1whg n LEU 23 Ca -0.08 -3.59 -0.07 0.00 -1.11 0.00 0.00 56.01 51.17 1whg n LEU 23 Cb 1.00 -0.84 0.02 0.00 0.53 0.00 0.00 43.42 44.12 1whg n LEU 23 CO 0.49 1.08 0.30 0.77 -1.11 0.00 0.00 177.39 178.92 1whg h SER 24 N 1.09 0.20 -0.13 1.96 4.64 -1.48 -1.42 113.55 118.40 1whg h SER 24 Ca 0.60 -0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.55 1whg h SER 24 Cb 2.49 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 64.53 1whg h SER 24 CO 1.11 0.94 -0.74 -0.08 -0.87 0.00 0.00 176.83 177.19 1whg h GLU 25 N 0.09 0.72 -0.02 4.77 4.81 -1.87 -2.03 114.58 121.06 1whg h GLU 25 Ca -0.03 -0.61 -0.17 0.00 -0.13 0.00 0.00 59.36 58.42 1whg h GLU 25 Cb 1.43 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 1whg h GLU 25 CO 0.12 1.22 -0.75 0.93 -0.73 0.00 0.00 179.01 179.80 1whg h GLU 26 N 0.42 0.19 -0.27 1.92 5.08 -1.87 -3.11 114.58 116.94 1whg h GLU 26 Ca -0.06 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1whg h GLU 26 Cb 1.38 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1whg h GLU 26 CO 0.15 0.85 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.35 1whg h LYS 27 N 0.12 0.79 -0.34 2.33 3.64 -1.28 -0.86 116.57 120.97 1whg h LYS 27 Ca -0.02 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1whg h LYS 27 Cb 1.33 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1whg h LYS 27 CO 0.11 1.11 0.21 0.00 -2.27 0.00 0.00 179.45 178.61 1whg h ALA 28 N 0.67 1.73 0.03 5.00 0.00 -1.38 0.30 119.26 125.61 1whg h ALA 28 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1whg h ALA 28 Cb 1.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1whg h ALA 28 CO 0.10 0.24 -1.33 1.96 0.00 0.00 0.00 179.25 180.22 1whg h GLN 29 N 0.46 0.06 0.00 0.00 4.20 -1.47 -3.30 115.11 115.06 1whg h GLN 29 Ca 0.12 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1whg h GLN 29 Cb -0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1whg h GLN 29 CO -0.02 0.89 -0.71 0.00 -0.67 0.00 0.00 178.83 178.31 1whg h ALA 30 N 0.87 0.69 -0.90 3.87 0.00 -0.48 -3.12 119.26 120.19 1whg h ALA 30 Ca -0.14 -0.65 -0.50 0.00 0.00 0.00 0.00 54.91 53.62 1whg h ALA 30 Cb 1.90 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 19.30 1whg h ALA 30 CO 0.12 0.89 0.64 0.43 0.00 0.00 0.00 179.25 181.33 1whg n SER 31 N -3.49 4.53 0.00 0.00 7.64 0.10 -4.29 113.62 118.11 1whg n SER 31 Ca -0.00 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.39 1whg n SER 31 Cb 0.74 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.91 2.65 -1.94 -0.43 0.00 -1.20 -4.99 120.51 113.69 1whg n ALA 32 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 1whg n ALA 32 Cb 1.35 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.92 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 -1.75 3.20 0.77 0.00 1.01 -1.18 -4.99 121.20 118.26 1whg s ILE 33 Ca 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.06 1whg s ILE 33 Cb 0.00 -3.34 0.06 0.00 0.01 0.00 0.00 42.46 39.18 1whg s ILE 33 CO 0.00 -0.02 1.15 -0.44 0.00 0.00 0.00 174.94 175.63 1whg s SER 34 N 2.76 4.84 -0.12 3.58 0.01 -1.26 -5.02 113.70 118.49 1whg s SER 34 Ca 0.74 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.87 1whg s SER 34 Cb -0.38 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1whg s SER 34 CO 0.32 -1.71 0.05 -0.69 0.41 0.00 0.00 173.24 171.62 1whg s VAL 35 N -3.49 4.71 0.00 3.43 1.01 -1.26 -4.56 120.40 120.23 1whg s VAL 35 Ca 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1whg s VAL 35 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1whg s VAL 35 CO 0.50 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.78 1whg n GLY 36 N 2.47 0.81 2.92 4.51 0.00 0.21 -4.96 105.19 111.14 1whg n GLY 36 Ca -0.18 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.68 -0.03 0.11 1.61 0.01 -1.26 -4.86 113.70 106.61 1whg s SER 37 Ca 0.00 0.05 -0.31 0.00 1.31 0.00 0.00 55.95 56.99 1whg s SER 37 Cb 0.00 0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.22 1whg s SER 37 CO 0.00 -0.04 1.66 -0.13 0.41 0.00 0.00 173.24 175.14 1whg s ARG 38 N -0.08 4.19 0.03 12.44 1.81 -1.21 -1.58 118.95 134.55 1whg s ARG 38 Ca -0.01 2.40 -0.07 0.00 -1.72 0.00 0.00 55.73 56.32 1whg s ARG 38 Cb -0.01 -3.43 -0.00 0.00 -0.45 0.00 0.00 34.95 31.06 1whg s ARG 38 CO 0.00 -0.71 0.14 0.00 -0.68 0.00 0.00 175.30 174.05 1whg s GLU 40 N -2.26 3.33 -0.02 0.00 2.02 0.29 -1.99 118.70 120.09 1whg s GLU 40 Ca -0.08 -0.43 -0.03 0.00 0.02 0.00 0.00 54.97 54.46 1whg s GLU 40 Cb -0.03 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1whg s GLU 40 CO -0.03 0.02 0.07 0.08 0.02 0.00 0.00 175.26 175.42 1whg s VAL 41 N -2.38 0.03 -0.09 2.63 1.01 -1.20 -0.27 120.40 120.14 1whg s VAL 41 Ca 0.43 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1whg s VAL 41 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1whg s VAL 41 CO 0.36 -0.13 -0.19 -0.13 0.00 0.00 0.00 175.10 175.01 1whg s ARG 42 N -0.39 2.91 0.19 2.72 0.52 -1.07 -2.94 118.95 120.89 1whg s ARG 42 Ca -0.05 -0.78 -0.22 0.00 -0.52 0.00 0.00 55.73 54.16 1whg s ARG 42 Cb -0.03 -2.39 0.05 0.00 0.52 0.00 0.00 34.95 33.11 1whg s ARG 42 CO 0.00 0.34 0.63 0.00 0.02 0.00 0.00 175.30 176.29 1whg s ALA 43 N -0.02 -1.47 -2.00 2.13 0.00 -1.26 -4.93 121.76 114.21 1whg s ALA 43 Ca -0.06 0.24 0.28 0.00 0.00 0.00 0.00 51.96 52.43 1whg s ALA 43 Cb -0.15 0.88 1.68 0.00 0.00 0.00 0.00 23.12 25.53 1whg s ALA 43 CO 0.05 -0.85 2.02 -0.35 0.00 0.00 0.00 175.76 176.63 1whg n PRO 44 N -0.40 0.88 0.12 0.00 -0.04 -1.26 -4.13 135.00 130.18 1whg n PRO 44 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 1whg n PRO 44 Cb 0.63 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.70 0.00 3.54 3.32 -2.02 -3.46 116.42 117.10 1whg h ASP 45 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1whg h ASP 45 Cb 0.00 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1whg h ASP 45 CO 0.00 -0.31 0.00 1.57 -1.72 0.00 0.00 179.24 178.78 1whg n HIS 46 N -3.85 -0.85 -3.51 4.55 -0.00 -1.26 -5.18 115.22 105.12 1whg n HIS 46 Ca -0.05 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.08 1whg n HIS 46 Cb 0.22 0.40 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 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 -2.19 -0.77 -4.75 0.26 7.64 -1.26 -5.04 113.62 107.50 1whg n SER 47 Ca 0.00 -1.69 -0.39 0.00 1.01 0.00 0.00 58.87 57.79 1whg n SER 47 Cb 0.00 1.33 0.03 0.00 -1.01 0.00 0.00 64.21 64.56 1whg n SER 47 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1whg n LEU 48 N 0.00 5.43 -4.50 -3.43 4.77 -1.26 -4.69 117.00 113.33 1whg n LEU 48 Ca -0.02 1.04 -0.23 0.00 -0.03 0.00 0.00 56.01 56.76 1whg n LEU 48 Cb 0.24 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.63 1whg n LEU 48 CO 0.11 -0.38 -0.27 -0.13 -1.33 0.00 0.00 177.39 175.39 1whg s ARG 49 N -2.72 1.75 -0.14 3.23 0.52 -1.15 -5.00 118.95 115.44 1whg s ARG 49 Ca 0.67 -1.99 -0.02 0.00 -0.52 0.00 0.00 55.73 53.88 1whg s ARG 49 Cb -0.43 -1.05 0.04 0.00 0.52 0.00 0.00 34.95 34.04 1whg s ARG 49 CO 0.52 -0.17 -0.00 1.03 0.02 0.00 0.00 175.30 176.70 1whg s ARG 50 N -3.84 0.87 0.06 3.54 1.81 -1.26 -3.22 118.95 116.91 1whg s ARG 50 Ca 0.35 -0.24 0.01 0.00 -1.72 0.00 0.00 55.73 54.12 1whg s ARG 50 Cb 0.09 -1.64 -0.00 0.00 -0.45 0.00 0.00 34.95 32.94 1whg s ARG 50 CO 0.16 -0.45 0.06 0.41 -0.68 0.00 0.00 175.30 174.80 1whg n GLY 51 N 5.04 3.47 3.27 -3.53 0.00 -0.84 -4.29 105.19 108.30 1whg n GLY 51 Ca -0.09 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.35 1.78 0.09 2.61 2.01 -1.03 0.29 115.64 119.04 1whg s THR 52 Ca 0.06 -1.22 -0.31 0.00 0.31 0.00 0.00 61.69 60.53 1whg s THR 52 Cb 0.00 -1.54 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 1whg s THR 52 CO 0.04 0.27 1.47 -0.69 -0.69 0.00 0.00 174.62 175.02 1whg s VAL 53 N -0.78 3.23 -0.06 3.82 1.01 -0.61 -2.94 120.40 124.08 1whg s VAL 53 Ca 0.09 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 1whg s VAL 53 Cb -0.09 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1whg s VAL 53 CO 0.02 0.04 -0.07 0.23 0.00 0.00 0.00 175.10 175.31 1whg n MET 54 N 4.58 0.12 -4.28 2.72 2.81 -0.29 0.65 117.12 123.43 1whg n MET 54 Ca 0.13 0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.89 1whg n MET 54 Cb 0.42 -0.78 -0.14 0.00 -0.71 0.00 0.00 33.22 32.00 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 -2.10 0.75 -0.19 2.03 6.14 -1.24 -4.83 117.35 117.90 1whg s TYR 55 Ca -0.08 -0.19 -0.04 0.00 0.64 0.00 0.00 57.07 57.40 1whg s TYR 55 Cb 0.03 -0.47 0.09 0.00 0.42 0.00 0.00 41.96 42.02 1whg s TYR 55 CO 0.10 -0.01 0.21 0.08 0.64 0.00 0.00 175.55 176.57 1whg s VAL 56 N -0.38 -0.31 -4.01 3.14 1.01 -1.26 -0.29 120.40 118.30 1whg s VAL 56 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1whg s VAL 56 Cb -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1whg s VAL 56 CO -0.00 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1whg n GLY 57 N 5.32 -0.51 3.72 4.51 0.00 -0.81 -4.99 105.19 112.42 1whg n GLY 57 Ca -0.06 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 1.91 0.00 0.99 1.43 -1.26 -0.53 118.68 121.22 1whg s LEU 58 Ca 0.00 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1whg s LEU 58 Cb 0.00 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1whg s LEU 58 CO 0.00 -2.81 0.12 0.35 0.23 0.00 0.00 176.35 174.24 1whg n THR 59 N -3.97 0.00 -0.04 5.49 -2.24 -1.25 -4.81 114.28 107.47 1whg n THR 59 Ca 0.06 -1.82 -0.05 0.00 -2.27 0.00 0.00 64.05 59.97 1whg n THR 59 Cb 0.57 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.66 3.33 0.07 3.42 9.92 -1.26 -4.65 116.55 125.71 1whg n ASP 60 Ca -0.04 -0.03 -0.08 0.00 -0.53 0.00 0.00 54.79 54.11 1whg n ASP 60 Cb 0.47 0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 41.06 1whg n ASP 60 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1whg h PHE 61 N 0.00 0.10 -3.96 1.24 -5.15 -1.97 -3.46 116.94 103.74 1whg h PHE 61 Ca -0.19 -0.07 -0.30 0.00 -0.20 0.00 0.00 57.97 57.21 1whg h PHE 61 Cb 1.35 -0.01 -0.23 0.00 0.22 0.00 0.00 35.95 37.29 1whg h PHE 61 CO 0.01 1.01 -0.75 0.15 -2.00 0.00 0.00 178.31 176.73 1whg s LYS 62 N -2.81 0.56 0.00 6.09 1.02 -1.26 -5.17 119.74 118.17 1whg s LYS 62 Ca -0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1whg s LYS 62 Cb 0.10 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1whg s LYS 62 CO 0.83 0.08 0.00 -0.35 -0.92 0.00 0.00 175.35 174.99 1whg n PRO 63 N 1.75 -0.15 0.00 -1.68 -0.04 -1.26 -3.88 135.00 129.73 1whg n PRO 63 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1whg n PRO 63 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 3.90 0.40 3.92 0.55 0.00 -1.26 -4.74 105.19 107.96 1whg n GLY 64 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 3.40 0.13 1.61 2.02 -1.26 -4.04 117.35 119.21 1whg s TYR 65 Ca 0.00 0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.67 1whg s TYR 65 Cb 0.00 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1whg s TYR 65 CO 0.00 0.49 0.18 -1.58 -1.57 0.00 0.00 175.55 173.07 1whg s TRP 66 N -1.86 0.51 -0.04 2.71 0.52 0.31 -4.73 118.94 116.37 1whg s TRP 66 Ca 0.34 -0.90 -0.00 0.00 0.02 0.00 0.00 56.10 55.55 1whg s TRP 66 Cb -0.10 -0.21 0.03 0.00 -1.15 0.00 0.00 33.47 32.04 1whg s TRP 66 CO 0.28 -0.61 0.02 0.08 0.02 0.00 0.00 176.95 176.74 1whg s VAL 67 N -3.97 0.08 -0.14 4.03 1.01 0.99 -1.93 120.40 120.47 1whg s VAL 67 Ca 0.17 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 1whg s VAL 67 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1whg s VAL 67 CO -0.02 0.16 0.40 -0.83 0.00 0.00 0.00 175.10 174.80 1whg s GLY 68 N 1.42 2.30 -0.04 4.51 0.00 0.60 -1.99 107.32 114.13 1whg s GLY 68 Ca -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1whg s GLY 68 CO -0.03 0.64 -0.04 0.14 0.00 0.00 0.00 173.10 173.81 1whg s VAL 69 N 0.60 0.47 -0.05 1.40 1.01 -0.99 -1.14 120.40 121.70 1whg s VAL 69 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1whg s VAL 69 Cb -0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1whg s VAL 69 CO 0.07 0.20 0.09 -0.60 0.00 0.00 0.00 175.10 174.86 1whg s ARG 70 N 0.81 3.18 0.26 2.72 3.52 -1.15 -1.58 118.95 126.71 1whg s ARG 70 Ca -0.10 -0.36 0.11 0.00 -0.13 0.00 0.00 55.73 55.25 1whg s ARG 70 Cb -0.13 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 1whg s ARG 70 CO -0.00 0.70 -0.10 0.71 -0.81 0.00 0.00 175.30 175.79 1whg s TYR 71 N -1.09 2.50 -0.00 5.12 2.02 -0.55 -2.46 117.35 122.89 1whg s TYR 71 Ca 0.19 -0.27 -0.24 0.00 -0.37 0.00 0.00 57.07 56.38 1whg s TYR 71 Cb -0.12 -1.11 -0.18 0.00 -0.40 0.00 0.00 41.96 40.14 1whg s TYR 71 CO 0.09 0.65 1.28 -0.44 -1.57 0.00 0.00 175.55 175.56 1whg h ASP 72 N 2.18 0.15 -2.97 2.29 3.32 -1.90 -3.46 116.42 116.03 1whg h ASP 72 Ca -0.43 -0.50 -0.46 0.00 0.02 0.00 0.00 57.03 55.66 1whg h ASP 72 Cb 1.25 -0.04 0.04 0.00 0.22 0.00 0.00 39.33 40.80 1whg h ASP 72 CO 0.59 0.62 0.01 -1.61 -1.72 0.00 0.00 179.24 177.13 1whg s GLU 73 N -4.20 2.80 -1.04 3.56 2.02 -1.26 -4.96 118.70 115.63 1whg s GLU 73 Ca -0.15 -0.45 -0.24 0.00 0.02 0.00 0.00 54.97 54.15 1whg s GLU 73 Cb 0.03 -2.44 -0.15 0.00 0.10 0.00 0.00 34.13 31.67 1whg s GLU 73 CO 0.71 -0.58 1.95 -0.35 0.02 0.00 0.00 175.26 177.00 1whg n PRO 74 N -2.34 1.19 -1.08 0.39 -0.04 -1.26 -4.53 135.00 127.33 1whg n PRO 74 Ca 0.05 -2.14 0.03 0.00 -0.04 0.00 0.00 63.50 61.40 1whg n PRO 74 Cb 0.58 -3.58 0.13 0.00 -0.04 0.00 0.00 33.50 30.59 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 14.21 2.21 0.00 1.53 4.77 -1.08 -4.94 117.00 133.70 1whg n LEU 75 Ca 0.45 -3.27 -0.27 0.00 -0.03 0.00 0.00 56.01 52.90 1whg n LEU 75 Cb 0.45 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1whg n LEU 75 CO 0.75 1.12 0.07 0.61 -1.33 0.00 0.00 177.39 178.61 1whg n GLY 76 N -0.52 2.74 0.88 -0.72 0.00 -0.88 -4.73 105.19 101.97 1whg n GLY 76 Ca 0.16 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.81 0.00 -2.45 1.61 5.02 -1.26 -4.35 118.16 114.92 1whg n LYS 77 Ca -0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 1whg n LYS 77 Cb 0.64 -0.49 0.09 0.00 -0.02 0.00 0.00 35.03 35.24 1whg n LYS 77 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1whg n ASN 78 N -2.57 1.42 -0.91 4.39 3.02 -1.24 -4.34 115.26 115.02 1whg n ASN 78 Ca 0.00 -2.11 0.05 0.00 -0.03 0.00 0.00 54.58 52.49 1whg n ASN 78 Cb 0.32 -0.48 0.12 0.00 -0.61 0.00 0.00 39.78 39.12 1whg n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1whg n ASP 79 N -2.73 1.39 0.00 6.41 5.75 -1.26 -2.65 116.55 123.45 1whg n ASP 79 Ca 0.14 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.91 1whg n ASP 79 Cb 0.51 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.45 2.08 3.55 6.12 0.00 -1.26 -4.58 105.19 110.66 1whg n GLY 80 Ca 0.13 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 6.28 -0.17 1.61 0.01 -1.26 -2.11 113.70 118.06 1whg s SER 81 Ca 0.00 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1whg s SER 81 Cb 0.00 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 64.00 1whg s SER 81 CO 0.00 -0.46 -0.17 -0.69 0.41 0.00 0.00 173.24 172.33 1whg s VAL 82 N 2.30 1.85 -1.64 3.43 1.01 0.19 -4.68 120.40 122.86 1whg s VAL 82 Ca 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1whg s VAL 82 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1whg s VAL 82 CO 0.13 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.30 1whg n ASN 83 N 4.68 -5.44 0.00 3.32 5.03 -1.26 -1.78 115.26 119.81 1whg n ASN 83 Ca -0.19 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1whg n ASN 83 Cb 0.50 -4.50 0.00 0.00 -1.02 0.00 0.00 39.78 34.76 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 -1.00 2.89 3.72 7.41 0.00 -1.26 -5.03 105.19 111.93 1whg n GLY 84 Ca -0.22 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1whg n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whg s LYS 85 N 0.00 4.56 -0.02 1.61 2.20 -0.73 -5.01 119.74 122.35 1whg s LYS 85 Ca 0.00 1.53 0.01 0.00 -0.36 0.00 0.00 55.97 57.14 1whg s LYS 85 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1whg s LYS 85 CO 0.00 -0.03 0.01 0.50 -0.36 0.00 0.00 175.35 175.47 1whg s ARG 86 N 0.69 2.85 0.05 4.03 3.52 -1.26 0.53 118.95 129.37 1whg s ARG 86 Ca 0.52 -0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1whg s ARG 86 Cb -0.24 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1whg s ARG 86 CO 0.29 0.64 -0.01 0.66 -0.81 0.00 0.00 175.30 176.08 1whg n TYR 87 N 1.53 0.00 -4.47 5.12 4.02 -0.90 -4.98 117.16 117.48 1whg n TYR 87 Ca -0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.52 1whg n TYR 87 Cb 0.53 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.78 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 -3.32 0.53 -4.05 -0.72 1.16 -1.26 -4.81 117.46 104.99 1whg n PHE 88 Ca -0.01 -1.87 -0.32 0.00 -1.87 0.00 0.00 57.45 53.38 1whg n PHE 88 Cb 0.22 -0.14 -0.15 0.00 -1.61 0.00 0.00 39.48 37.80 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 -3.25 2.24 -0.12 3.97 8.01 -1.26 -4.67 118.70 123.62 1whg s GLU 89 Ca 0.07 -1.36 -0.33 0.00 0.01 0.00 0.00 54.97 53.36 1whg s GLU 89 Cb 0.00 -2.93 0.14 0.00 -4.31 0.00 0.00 34.13 27.03 1whg s GLU 89 CO 0.05 -0.59 1.32 0.00 0.01 0.00 0.00 175.26 176.05 1whg n GLN 91 N -0.32 -0.93 -2.70 0.00 7.27 -1.26 -4.54 117.38 114.90 1whg n GLN 91 Ca -0.05 -0.46 -0.29 0.00 0.07 0.00 0.00 57.00 56.27 1whg n GLN 91 Cb 0.61 -0.37 -0.02 0.00 2.41 0.00 0.00 30.24 32.88 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 -3.49 3.35 -1.33 1.69 0.00 -1.26 -4.16 121.76 116.56 1whg s ALA 92 Ca 0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1whg s ALA 92 Cb -0.01 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1whg s ALA 92 CO 0.13 -0.20 1.07 1.63 0.00 0.00 0.00 175.76 178.40 1whg n LYS 93 N -1.79 -7.33 0.00 0.00 5.02 -1.09 -4.82 118.16 108.15 1whg n LYS 93 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1whg n LYS 93 Cb 0.54 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 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 -4.87 -0.19 -3.37 2.13 4.01 -1.26 -2.07 117.16 111.55 1whg n TYR 94 Ca -0.01 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 1whg n TYR 94 Cb 0.57 0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 39.95 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 -4.28 2.54 0.66 2.72 0.00 -1.26 -1.48 107.32 106.22 1whg s GLY 95 Ca 0.00 -3.17 -0.11 0.00 0.00 0.00 0.00 44.72 41.44 1whg s GLY 95 CO 0.00 1.23 1.04 0.00 0.00 0.00 0.00 173.10 175.38 1whg s ALA 96 N 0.41 2.89 -0.30 3.20 0.00 -0.61 -3.60 121.76 123.76 1whg s ALA 96 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1whg s ALA 96 Cb -0.15 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.91 1whg s ALA 96 CO -0.06 -0.95 -0.02 -0.06 0.00 0.00 0.00 175.76 174.67 1whg s PHE 97 N -3.10 3.39 0.53 0.00 0.08 -1.26 -2.34 117.98 115.28 1whg s PHE 97 Ca 0.57 -2.33 0.01 0.00 0.12 0.00 0.00 56.93 55.29 1whg s PHE 97 Cb -0.12 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 1whg s PHE 97 CO 0.54 -0.88 0.04 0.14 -0.10 0.00 0.00 175.22 174.96 1whg s VAL 98 N 1.11 1.07 0.16 -0.44 -7.23 -0.84 -4.94 120.40 109.29 1whg s VAL 98 Ca -0.03 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1whg s VAL 98 Cb -0.20 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1whg s VAL 98 CO -0.04 0.00 0.10 -0.54 -0.31 0.00 0.00 175.10 174.30 1whg s LYS 99 N -3.95 2.78 0.19 4.82 -0.14 -1.26 -0.01 119.74 122.18 1whg s LYS 99 Ca 0.04 -0.90 -0.19 0.00 -1.36 0.00 0.00 55.97 53.55 1whg s LYS 99 Cb -0.00 -2.59 0.15 0.00 -1.68 0.00 0.00 37.83 33.71 1whg s LYS 99 CO 0.02 0.49 1.59 -1.35 -0.76 0.00 0.00 175.35 175.34 1whg h PRO 100 N 2.59 -0.13 -0.14 -1.68 0.11 -1.89 1.65 132.00 132.51 1whg h PRO 100 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1whg h PRO 100 Cb 1.20 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1whg h PRO 100 CO 0.62 -0.09 0.22 0.77 -0.21 0.00 0.00 178.00 179.32 1whg h SER 101 N -0.13 0.00 0.41 -2.05 0.02 -1.94 0.72 113.55 110.57 1whg h SER 101 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1whg h SER 101 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1whg h SER 101 CO -0.69 0.00 -0.87 0.00 -1.14 0.00 0.00 176.83 174.13 1whg n ALA 102 N -2.21 3.61 -2.58 3.77 0.00 0.51 -4.92 120.51 118.68 1whg n ALA 102 Ca 0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1whg n ALA 102 Cb 0.33 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 5.07 -0.22 0.00 1.01 0.25 -2.61 120.40 120.78 1whg s VAL 103 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1whg s VAL 103 Cb 0.15 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.82 1whg s VAL 103 CO 0.78 -0.47 0.21 -0.89 0.00 0.00 0.00 175.10 174.73 1whg s THR 104 N -2.24 -0.29 -0.02 3.92 2.01 0.63 -4.91 115.64 114.73 1whg s THR 104 Ca 0.42 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1whg s THR 104 Cb -0.10 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1whg s THR 104 CO 0.34 -0.30 1.23 -0.69 -0.69 0.00 0.00 174.62 174.51 1whg s VAL 105 N 2.30 4.14 -0.07 3.82 1.01 -1.26 0.11 120.40 130.44 1whg s VAL 105 Ca 0.07 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.60 1whg s VAL 105 Cb -0.16 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1whg s VAL 105 CO -0.17 0.03 0.04 0.61 0.00 0.00 0.00 175.10 175.60 1whg n GLY 106 N 3.37 -0.35 2.69 4.51 0.00 -1.16 -4.91 105.19 109.34 1whg n GLY 106 Ca 0.11 -0.12 -0.16 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 -3.80 0.49 -0.11 1.61 1.01 -0.96 -5.02 116.67 109.89 1whg s ASP 107 Ca -0.03 -1.98 -0.10 0.00 0.71 0.00 0.00 52.55 51.15 1whg s ASP 107 Cb 0.02 0.68 -0.03 0.00 1.01 0.00 0.00 42.92 44.60 1whg s ASP 107 CO 0.29 -0.18 -0.19 -0.24 0.21 0.00 0.00 175.17 175.06 1whg n SER 108 N 3.58 1.27 0.00 0.27 2.88 -1.26 -3.31 113.62 117.04 1whg n SER 108 Ca 0.18 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1whg n SER 108 Cb 0.49 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1whg n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whg n GLY 109 N 1.54 2.38 0.19 0.46 0.00 -1.26 -4.89 105.19 103.61 1whg n GLY 109 Ca -0.08 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.51 1whg n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whg h PRO 110 N 0.00 0.00 0.00 1.61 0.13 -2.00 -3.44 132.00 128.30 1whg h PRO 110 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1whg h PRO 110 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1whg h PRO 110 CO 0.00 0.38 0.00 0.45 -0.23 0.00 0.00 178.00 178.60 1whg n SER 111 N -3.80 -1.70 0.00 1.44 2.88 -1.26 -5.04 113.62 106.14 1whg n SER 111 Ca -0.01 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1whg n SER 111 Cb 0.45 1.82 0.00 0.00 -0.75 0.00 0.00 64.21 65.74 1whg n SER 111 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whg n SER 112 N -2.94 0.21 0.00 -3.46 2.88 -1.26 -5.24 113.62 103.81 1whg n SER 112 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whg n SER 112 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1whg n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42