#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 -4.76 -4.82 1.61 7.64 -1.26 -4.99 113.62 107.05 1whg n SER 2 Ca 0.00 1.39 -0.30 0.00 1.01 0.00 0.00 58.87 60.97 1whg n SER 2 Cb 0.00 -5.28 0.09 0.00 -1.01 0.00 0.00 64.21 58.01 1whg n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whg s SER 3 N -1.22 4.60 1.19 6.43 1.04 -1.26 -5.04 113.70 119.45 1whg s SER 3 Ca -0.12 1.27 -0.15 0.00 0.48 0.00 0.00 55.95 57.42 1whg s SER 3 Cb 0.01 -2.00 0.29 0.00 0.10 0.00 0.00 66.02 64.41 1whg s SER 3 CO 0.78 -1.90 1.03 -0.83 0.98 0.00 0.00 173.24 173.30 1whg s GLY 4 N -3.98 1.52 -0.83 7.32 0.00 -1.26 -4.98 107.32 105.11 1whg s GLY 4 Ca 0.60 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1whg s GLY 4 CO 0.54 0.38 0.69 -0.56 0.00 0.00 0.00 173.10 174.14 1whg s SER 5 N -2.94 5.65 0.49 1.64 0.01 -1.26 -5.08 113.70 112.21 1whg s SER 5 Ca 0.68 -3.72 -0.21 0.00 1.31 0.00 0.00 55.95 54.01 1whg s SER 5 Cb -0.20 -1.83 -0.07 0.00 0.21 0.00 0.00 66.02 64.12 1whg s SER 5 CO 0.61 -0.16 1.09 -0.94 0.41 0.00 0.00 173.24 174.25 1whg s SER 6 N -0.46 6.14 -0.19 2.44 1.04 -1.26 -5.05 113.70 116.37 1whg s SER 6 Ca 0.26 2.07 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 1whg s SER 6 Cb -0.07 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.53 1whg s SER 6 CO -0.13 -0.92 0.02 -0.83 0.98 0.00 0.00 173.24 172.35 1whg s GLY 7 N -1.79 0.78 -0.14 7.32 0.00 -1.26 -4.98 107.32 107.25 1whg s GLY 7 Ca 0.68 -0.74 0.19 0.00 0.00 0.00 0.00 44.72 44.85 1whg s GLY 7 CO 0.25 1.30 1.17 -2.01 0.00 0.00 0.00 173.10 173.82 1whg n ASN 8 N 5.00 1.79 0.14 1.64 5.15 -1.26 -4.83 115.26 122.89 1whg n ASN 8 Ca -0.09 -2.73 0.01 0.00 -0.60 0.00 0.00 54.58 51.17 1whg n ASN 8 Cb 0.47 -0.40 0.33 0.00 -0.53 0.00 0.00 39.78 39.65 1whg n ASN 8 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1whg h GLU 9 N 1.46 0.15 -0.19 1.20 4.11 -2.01 -2.80 114.58 116.49 1whg h GLU 9 Ca -0.08 -0.05 -0.17 0.00 0.07 0.00 0.00 59.36 59.13 1whg h GLU 9 Cb 1.49 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1whg h GLU 9 CO 0.17 0.45 -0.59 0.93 0.07 0.00 0.00 179.01 180.04 1whg h GLU 10 N 0.13 0.63 -0.12 1.06 5.08 -2.03 -3.05 114.58 116.28 1whg h GLU 10 Ca 0.02 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1whg h GLU 10 Cb 0.62 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1whg h GLU 10 CO 0.04 1.04 -0.07 1.25 -1.00 0.00 0.00 179.01 180.27 1whg h LEU 11 N 0.47 0.16 -1.61 1.33 5.85 -1.87 -2.12 115.31 117.52 1whg h LEU 11 Ca -0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1whg h LEU 11 Cb 1.16 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1whg h LEU 11 CO 0.12 0.27 0.29 0.03 -0.34 0.00 0.00 178.44 178.80 1whg h ARG 12 N 0.18 0.51 -0.37 1.25 2.47 -1.41 -1.27 114.38 115.73 1whg h ARG 12 Ca 0.04 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1whg h ARG 12 Cb 0.25 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1whg h ARG 12 CO 0.01 0.33 -0.07 0.00 0.56 0.00 0.00 179.97 180.81 1whg h ALA 13 N 1.74 1.18 0.00 0.04 0.00 -1.48 -2.59 119.26 118.16 1whg h ALA 13 Ca 0.17 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1whg h ALA 13 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1whg h ALA 13 CO -0.04 0.53 -0.60 1.96 0.00 0.00 0.00 179.25 181.10 1whg h GLN 14 N 0.58 0.00 -1.09 0.00 1.08 -1.33 -3.24 115.11 111.12 1whg h GLN 14 Ca 0.11 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.79 1whg h GLN 14 Cb 0.47 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 27.65 1whg h GLN 14 CO 0.02 0.60 0.67 1.04 -0.95 0.00 0.00 178.83 180.21 1whg n GLN 15 N -3.32 2.27 0.00 1.46 6.02 -0.60 -0.90 117.38 122.31 1whg n GLN 15 Ca 0.01 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 1whg n GLN 15 Cb 0.74 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.68 0.00 -0.05 -1.09 1.02 -1.16 -4.75 120.64 113.93 1whg n GLU 16 Ca 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.60 1whg n GLU 16 Cb 0.99 -0.49 -0.05 0.00 -0.02 0.00 0.00 31.44 31.87 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 -2.43 1.79 -0.03 0.62 0.00 -1.25 -4.34 120.51 114.87 1whg n ALA 17 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.86 1whg n ALA 17 Cb 0.27 0.26 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 0.13 -1.15 0.00 4.39 -1.78 -3.17 114.58 113.01 1whg h GLU 18 Ca -0.22 -0.17 -0.57 0.00 0.34 0.00 0.00 59.36 58.74 1whg h GLU 18 Cb 1.35 0.06 -0.25 0.00 -0.10 0.00 0.00 28.75 29.81 1whg h GLU 18 CO -0.03 0.98 0.73 0.00 -1.16 0.00 0.00 179.01 179.53 1whg n ALA 19 N -2.57 5.94 0.00 3.43 0.00 -0.08 -3.32 120.51 123.91 1whg n ALA 19 Ca -0.10 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1whg n ALA 19 Cb 0.54 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.56 2.71 -0.01 0.00 0.00 -1.25 -4.63 120.51 116.77 1whg n ALA 20 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.95 1whg n ALA 20 Cb 0.68 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.33 0.64 -1.11 0.00 6.02 -1.20 -4.14 117.38 115.27 1whg n GLN 21 Ca 0.00 0.12 -0.23 0.00 -0.01 0.00 0.00 57.00 56.88 1whg n GLN 21 Cb 0.09 -1.70 0.14 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.79 2.16 -1.46 -1.09 5.12 -1.21 -4.14 116.66 113.25 1whg n ARG 22 Ca -0.16 -2.69 0.04 0.00 -1.93 0.00 0.00 57.85 53.11 1whg n ARG 22 Cb 0.91 -2.05 0.05 0.00 -1.16 0.00 0.00 32.46 30.21 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 -0.90 1.29 0.05 0.55 7.94 -1.26 -4.83 117.00 119.84 1whg n LEU 23 Ca 0.53 -2.33 -0.09 0.00 -1.11 0.00 0.00 56.01 53.01 1whg n LEU 23 Cb 1.39 -0.04 -0.13 0.00 0.53 0.00 0.00 43.42 45.17 1whg n LEU 23 CO 0.56 0.66 -0.09 0.77 -1.11 0.00 0.00 177.39 178.19 1whg h SER 24 N 1.10 0.09 -0.67 1.96 4.64 -1.82 -3.08 113.55 115.77 1whg h SER 24 Ca -0.19 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1whg h SER 24 Cb 1.75 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.78 1whg h SER 24 CO 0.10 1.09 0.16 1.05 -0.87 0.00 0.00 176.83 178.36 1whg h GLU 25 N 0.02 1.08 -0.03 4.77 4.11 -1.92 -2.47 114.58 120.14 1whg h GLU 25 Ca -0.11 -0.26 -0.15 0.00 0.07 0.00 0.00 59.36 58.91 1whg h GLU 25 Cb 1.87 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 1whg h GLU 25 CO 0.13 0.96 -0.67 0.93 0.07 0.00 0.00 179.01 180.44 1whg h GLU 26 N 1.01 0.12 -0.51 1.06 5.08 -1.93 -3.16 114.58 116.25 1whg h GLU 26 Ca 0.21 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1whg h GLU 26 Cb 0.37 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1whg h GLU 26 CO 0.00 0.74 0.22 -0.22 -1.00 0.00 0.00 179.01 178.76 1whg h LYS 27 N 0.08 0.75 0.85 2.33 3.64 -1.39 0.35 116.57 123.19 1whg h LYS 27 Ca -0.01 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1whg h LYS 27 Cb 1.19 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1whg h LYS 27 CO 0.10 0.65 -0.45 0.00 -2.27 0.00 0.00 179.45 177.47 1whg h ALA 28 N 1.07 -1.22 -0.74 5.00 0.00 -1.44 -1.17 119.26 120.76 1whg h ALA 28 Ca 0.17 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1whg h ALA 28 Cb 0.16 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1whg h ALA 28 CO -0.02 -1.19 0.49 -0.56 0.00 0.00 0.00 179.25 177.97 1whg h GLN 29 N -1.20 0.80 0.00 0.00 3.07 -1.54 -0.62 115.11 115.62 1whg h GLN 29 Ca -0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.53 1whg h GLN 29 Cb 0.94 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 1whg h GLN 29 CO 0.16 0.53 -0.21 0.00 0.09 0.00 0.00 178.83 179.40 1whg h ALA 30 N 1.59 1.60 -0.91 0.06 0.00 -0.65 -2.17 119.26 118.78 1whg h ALA 30 Ca 0.31 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 54.55 1whg h ALA 30 Cb 0.19 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 17.67 1whg h ALA 30 CO -0.10 0.26 0.62 0.45 0.00 0.00 0.00 179.25 180.47 1whg n SER 31 N -4.21 4.01 0.00 0.00 2.88 -0.25 -4.24 113.62 111.82 1whg n SER 31 Ca -0.02 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 1whg n SER 31 Cb 0.27 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 -0.97 2.34 -2.26 -1.46 0.00 -0.82 -4.99 120.51 112.35 1whg n ALA 32 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 1whg n ALA 32 Cb 1.49 0.40 -0.02 0.00 0.00 0.00 0.00 19.45 21.32 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 -1.87 3.76 1.10 0.00 1.01 -1.20 -5.00 121.20 119.00 1whg s ILE 33 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 60.65 61.24 1whg s ILE 33 Cb 0.00 -4.09 0.24 0.00 0.01 0.00 0.00 42.46 38.62 1whg s ILE 33 CO 0.00 -0.73 1.12 -0.44 0.00 0.00 0.00 174.94 174.89 1whg s SER 34 N 4.69 1.78 -0.04 3.58 0.01 -1.26 -4.95 113.70 117.51 1whg s SER 34 Ca 0.65 0.81 -0.02 0.00 1.31 0.00 0.00 55.95 58.70 1whg s SER 34 Cb -0.15 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 1whg s SER 34 CO 0.32 -3.61 0.10 -0.69 0.41 0.00 0.00 173.24 169.76 1whg s VAL 35 N -3.07 4.95 -0.59 3.43 1.01 -1.26 -4.45 120.40 120.42 1whg s VAL 35 Ca 0.69 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1whg s VAL 35 Cb -0.13 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1whg s VAL 35 CO 0.56 0.43 0.10 0.61 0.00 0.00 0.00 175.10 176.80 1whg n GLY 36 N 1.42 0.16 3.13 4.51 0.00 -0.14 -4.62 105.19 109.64 1whg n GLY 36 Ca -0.15 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.78 1.88 -0.00 1.61 0.01 -1.26 -3.67 113.70 109.49 1whg s SER 37 Ca 0.05 -0.29 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 1whg s SER 37 Cb -0.02 -0.31 -0.06 0.00 0.21 0.00 0.00 66.02 65.84 1whg s SER 37 CO 0.06 0.18 1.58 -0.13 0.41 0.00 0.00 173.24 175.34 1whg s ARG 38 N -0.23 4.21 0.01 12.44 1.81 -1.25 -2.12 118.95 133.82 1whg s ARG 38 Ca 0.03 2.17 -0.00 0.00 -1.72 0.00 0.00 55.73 56.21 1whg s ARG 38 Cb -0.08 -3.75 -0.01 0.00 -0.45 0.00 0.00 34.95 30.66 1whg s ARG 38 CO 0.00 -0.74 -0.01 0.00 -0.68 0.00 0.00 175.30 173.87 1whg s GLU 40 N -1.01 4.29 -0.05 0.00 2.02 0.28 -1.09 118.70 123.14 1whg s GLU 40 Ca -0.11 1.12 0.03 0.00 0.02 0.00 0.00 54.97 56.03 1whg s GLU 40 Cb -0.07 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1whg s GLU 40 CO -0.01 0.07 -0.14 0.08 0.02 0.00 0.00 175.26 175.28 1whg s VAL 41 N -2.01 1.25 -0.31 2.63 1.01 -0.90 0.32 120.40 122.39 1whg s VAL 41 Ca 0.58 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1whg s VAL 41 Cb -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1whg s VAL 41 CO 0.16 0.37 0.10 -0.60 0.00 0.00 0.00 175.10 175.13 1whg s ARG 42 N 0.24 3.04 0.04 2.72 3.52 -0.72 -3.18 118.95 124.62 1whg s ARG 42 Ca -0.07 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 54.55 1whg s ARG 42 Cb -0.12 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1whg s ARG 42 CO 0.02 -0.48 0.17 0.00 -0.81 0.00 0.00 175.30 174.20 1whg s ALA 43 N 1.50 -0.27 -1.67 6.12 0.00 -1.26 -4.91 121.76 121.27 1whg s ALA 43 Ca 0.02 -0.38 0.24 0.00 0.00 0.00 0.00 51.96 51.85 1whg s ALA 43 Cb -0.18 0.29 1.32 0.00 0.00 0.00 0.00 23.12 24.55 1whg s ALA 43 CO 0.03 -0.36 1.81 -0.35 0.00 0.00 0.00 175.76 176.89 1whg n PRO 44 N 0.65 0.53 -0.09 0.00 -0.04 -1.26 -3.80 135.00 130.98 1whg n PRO 44 Ca -0.19 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 1whg n PRO 44 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.17 0.00 3.54 3.32 -2.00 -3.45 116.42 117.66 1whg h ASP 45 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1whg h ASP 45 Cb 0.13 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1whg h ASP 45 CO 0.00 -0.05 0.00 1.57 -1.72 0.00 0.00 179.24 179.04 1whg n HIS 46 N -5.20 -1.46 -3.77 4.55 -0.00 -1.25 -5.18 115.22 102.91 1whg n HIS 46 Ca 0.01 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.12 1whg n HIS 46 Cb 0.17 0.37 0.03 0.00 -0.12 0.00 0.00 29.99 30.44 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 -2.11 -2.03 -4.63 0.26 3.41 -1.26 -5.03 113.62 102.23 1whg n SER 47 Ca 0.00 -2.34 -0.43 0.00 -0.26 0.00 0.00 58.87 55.84 1whg n SER 47 Cb 0.00 3.36 -0.02 0.00 -0.26 0.00 0.00 64.21 67.28 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 3.86 0.45 1.04 1.43 -1.26 -4.58 118.68 119.62 1whg s LEU 48 Ca 0.16 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1whg s LEU 48 Cb -0.04 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1whg s LEU 48 CO 0.10 -1.18 0.24 -0.13 0.23 0.00 0.00 176.35 175.61 1whg s ARG 49 N 4.43 2.27 -0.43 1.70 0.52 -1.19 -4.91 118.95 121.34 1whg s ARG 49 Ca 0.62 -1.89 -0.11 0.00 -0.52 0.00 0.00 55.73 53.83 1whg s ARG 49 Cb -0.19 -2.02 0.07 0.00 0.52 0.00 0.00 34.95 33.32 1whg s ARG 49 CO 0.26 -0.26 0.29 1.03 0.02 0.00 0.00 175.30 176.64 1whg s ARG 50 N -4.02 2.75 0.22 3.54 1.81 -1.26 -2.12 118.95 119.86 1whg s ARG 50 Ca 0.37 -1.37 0.02 0.00 -1.72 0.00 0.00 55.73 53.04 1whg s ARG 50 Cb 0.01 -3.88 0.02 0.00 -0.45 0.00 0.00 34.95 30.66 1whg s ARG 50 CO 0.21 -0.93 0.16 0.41 -0.68 0.00 0.00 175.30 174.46 1whg n GLY 51 N 5.01 2.97 3.07 -3.53 0.00 -0.25 -4.34 105.19 108.12 1whg n GLY 51 Ca -0.11 -2.22 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.11 1.09 0.15 2.61 2.01 0.30 -0.56 115.64 120.13 1whg s THR 52 Ca 0.12 -0.53 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 1whg s THR 52 Cb -0.01 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 1whg s THR 52 CO 0.08 0.32 1.54 -0.69 -0.69 0.00 0.00 174.62 175.18 1whg s VAL 53 N 0.09 2.74 -0.00 3.82 1.01 -0.90 -1.60 120.40 125.55 1whg s VAL 53 Ca -0.03 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 1whg s VAL 53 Cb -0.10 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1whg s VAL 53 CO 0.01 0.04 -0.00 0.23 0.00 0.00 0.00 175.10 175.38 1whg n MET 54 N 4.02 0.00 -3.82 2.72 2.81 0.08 -0.97 117.12 121.96 1whg n MET 54 Ca 0.14 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.90 1whg n MET 54 Cb 0.39 -0.84 -0.12 0.00 -0.71 0.00 0.00 33.22 31.95 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 -2.00 -0.17 -0.29 2.03 5.04 -1.17 -4.86 117.35 115.93 1whg s TYR 55 Ca -0.00 0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 55.01 1whg s TYR 55 Cb 0.00 0.05 0.11 0.00 0.35 0.00 0.00 41.96 42.47 1whg s TYR 55 CO 0.00 -0.11 0.16 0.08 -1.34 0.00 0.00 175.55 174.34 1whg s VAL 56 N -0.07 -0.14 0.00 3.14 1.01 -1.26 0.16 120.40 123.25 1whg s VAL 56 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1whg s VAL 56 Cb -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1whg s VAL 56 CO 0.00 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.05 1whg n GLY 57 N 5.26 2.09 3.73 4.51 0.00 -0.84 -5.00 105.19 114.94 1whg n GLY 57 Ca -0.05 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 2.67 0.00 0.99 1.43 -1.26 0.98 118.68 123.48 1whg s LEU 58 Ca 0.00 -1.42 0.05 0.00 -1.03 0.00 0.00 54.13 51.74 1whg s LEU 58 Cb 0.00 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 1whg s LEU 58 CO 0.00 -0.70 0.18 0.35 0.23 0.00 0.00 176.35 176.41 1whg n THR 59 N -1.23 0.00 -0.04 5.49 -2.24 -1.26 -4.79 114.28 110.22 1whg n THR 59 Ca -0.10 -1.72 -0.05 0.00 -2.27 0.00 0.00 64.05 59.91 1whg n THR 59 Cb 0.66 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1whg n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1whg n ASP 60 N -2.00 3.43 0.14 3.42 9.92 -1.26 -4.63 116.55 125.57 1whg n ASP 60 Ca 0.04 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1whg n ASP 60 Cb 0.43 0.11 0.29 0.00 -0.64 0.00 0.00 41.12 41.32 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 0.14 -3.94 1.24 -0.00 -1.97 -3.44 116.94 108.97 1whg h PHE 61 Ca -0.17 -0.03 -0.31 0.00 -0.00 0.00 0.00 57.97 57.46 1whg h PHE 61 Cb 1.30 -0.03 -0.25 0.00 -0.00 0.00 0.00 35.95 36.97 1whg h PHE 61 CO 0.01 0.49 -0.75 0.15 -0.00 0.00 0.00 178.31 178.21 1whg s LYS 62 N -4.19 0.50 1.00 6.09 1.02 -1.26 -5.16 119.74 117.73 1whg s LYS 62 Ca -0.04 -0.48 -0.15 0.00 0.02 0.00 0.00 55.97 55.32 1whg s LYS 62 Cb 0.14 -0.38 0.20 0.00 -0.52 0.00 0.00 37.83 37.27 1whg s LYS 62 CO 0.75 0.09 1.19 -1.25 -0.92 0.00 0.00 175.35 175.21 1whg s PRO 63 N -0.86 0.38 0.25 -1.68 0.04 -1.26 -4.15 135.00 127.72 1whg s PRO 63 Ca -0.04 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1whg s PRO 63 Cb -0.06 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1whg s PRO 63 CO 0.00 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1whg n GLY 64 N -2.45 -2.21 3.79 0.56 0.00 -1.26 -4.86 105.19 98.75 1whg n GLY 64 Ca 0.11 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.52 3.47 -0.01 1.61 2.02 -1.26 -4.13 117.35 116.53 1whg s TYR 65 Ca 0.00 1.70 0.04 0.00 -0.37 0.00 0.00 57.07 58.44 1whg s TYR 65 Cb 0.00 -3.00 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 1whg s TYR 65 CO 0.00 -0.19 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.09 1whg s TRP 66 N -1.70 1.10 -0.19 2.71 0.52 0.27 -4.67 118.94 116.98 1whg s TRP 66 Ca 0.55 -0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.44 1whg s TRP 66 Cb -0.19 -0.72 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1whg s TRP 66 CO 0.24 -0.03 -0.12 0.08 0.02 0.00 0.00 176.95 177.14 1whg s VAL 67 N -0.24 2.74 -0.33 4.03 1.01 0.25 -1.99 120.40 125.87 1whg s VAL 67 Ca 0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 1whg s VAL 67 Cb -0.05 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1whg s VAL 67 CO -0.00 0.49 0.69 -0.83 0.00 0.00 0.00 175.10 175.45 1whg s GLY 68 N 1.24 1.73 -0.08 4.51 0.00 0.12 -1.29 107.32 113.56 1whg s GLY 68 Ca 0.03 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1whg s GLY 68 CO -0.06 1.58 -0.21 0.14 0.00 0.00 0.00 173.10 174.55 1whg s VAL 69 N 2.79 2.36 -0.05 1.40 1.01 -0.91 -0.74 120.40 126.26 1whg s VAL 69 Ca 0.28 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1whg s VAL 69 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1whg s VAL 69 CO 0.13 0.56 0.12 -0.60 0.00 0.00 0.00 175.10 175.32 1whg s ARG 70 N -0.06 3.28 0.41 2.72 3.52 -0.63 -1.29 118.95 126.90 1whg s ARG 70 Ca -0.05 -0.32 0.08 0.00 -0.13 0.00 0.00 55.73 55.30 1whg s ARG 70 Cb -0.14 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1whg s ARG 70 CO 0.04 0.70 0.48 0.71 -0.81 0.00 0.00 175.30 176.43 1whg s TYR 71 N -1.16 2.79 -0.00 5.12 2.02 -0.13 -0.54 117.35 125.44 1whg s TYR 71 Ca 0.21 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 1whg s TYR 71 Cb -0.12 -2.27 -0.25 0.00 -0.40 0.00 0.00 41.96 38.92 1whg s TYR 71 CO 0.12 -0.27 0.82 -0.44 -1.57 0.00 0.00 175.55 174.21 1whg h ASP 72 N 0.82 0.18 -2.43 2.29 5.19 -1.89 -3.47 116.42 117.10 1whg h ASP 72 Ca -0.41 -0.29 -0.52 0.00 -0.62 0.00 0.00 57.03 55.19 1whg h ASP 72 Cb 1.27 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 1whg h ASP 72 CO 0.50 1.24 -0.50 -1.61 -3.12 0.00 0.00 179.24 175.75 1whg s GLU 73 N -2.62 3.14 -1.10 3.56 8.01 -1.26 -5.01 118.70 123.42 1whg s GLU 73 Ca -0.07 -0.83 -0.23 0.00 0.01 0.00 0.00 54.97 53.85 1whg s GLU 73 Cb 0.08 -2.75 -0.08 0.00 -4.31 0.00 0.00 34.13 27.07 1whg s GLU 73 CO 0.83 0.46 1.95 -1.25 0.01 0.00 0.00 175.26 177.26 1whg s PRO 74 N -3.50 2.46 -0.36 0.39 0.04 -1.26 -4.58 135.00 128.20 1whg s PRO 74 Ca 0.33 -0.88 0.14 0.00 0.04 0.00 0.00 61.00 60.63 1whg s PRO 74 Cb -0.09 -5.18 0.43 0.00 0.04 0.00 0.00 34.50 29.69 1whg s PRO 74 CO 0.26 -3.86 1.15 1.28 0.04 0.00 0.00 177.00 175.87 1whg n LEU 75 N 14.47 -0.20 0.00 -3.56 4.77 -0.61 -4.96 117.00 126.91 1whg n LEU 75 Ca 0.43 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1whg n LEU 75 Cb 0.47 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1whg n LEU 75 CO 0.65 1.73 0.00 0.61 -1.33 0.00 0.00 177.39 179.05 1whg n GLY 76 N -0.32 3.12 1.58 -0.72 0.00 -0.91 -4.82 105.19 103.12 1whg n GLY 76 Ca 0.03 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 0.00 -3.70 1.61 5.02 -1.26 -4.69 118.16 115.14 1whg n LYS 77 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1whg n LYS 77 Cb 0.00 -0.21 0.01 0.00 -0.02 0.00 0.00 35.03 34.81 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 -5.00 4.73 -0.12 4.39 0.01 -1.22 -4.65 114.94 113.09 1whg s ASN 78 Ca 0.00 -1.16 0.10 0.00 -0.71 0.00 0.00 52.86 51.09 1whg s ASN 78 Cb 0.00 0.39 -0.14 0.00 0.41 0.00 0.00 41.25 41.91 1whg s ASN 78 CO 0.00 -1.16 0.02 -0.90 -1.51 0.00 0.00 177.10 173.56 1whg n ASP 79 N -1.87 2.18 0.00 -1.22 5.75 -1.26 -3.07 116.55 117.06 1whg n ASP 79 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1whg n ASP 79 Cb 0.64 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 41.42 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 2.32 0.45 3.48 6.12 0.00 -1.26 -4.07 105.19 112.23 1whg n GLY 80 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1whg n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whg s SER 81 N 0.00 4.25 -0.15 1.61 0.15 -1.26 -1.54 113.70 116.76 1whg s SER 81 Ca 0.00 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1whg s SER 81 Cb 0.00 -1.17 0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1whg s SER 81 CO 0.00 0.30 -0.03 -0.69 1.20 0.00 0.00 173.24 174.02 1whg s VAL 82 N -0.44 0.87 -1.54 4.45 1.01 0.12 -4.78 120.40 120.09 1whg s VAL 82 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1whg s VAL 82 Cb -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1whg s VAL 82 CO 0.02 0.08 0.36 0.59 0.00 0.00 0.00 175.10 176.16 1whg n ASN 83 N 4.96 -5.77 0.00 3.32 5.03 -1.26 -2.10 115.26 119.44 1whg n ASN 83 Ca -0.10 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.17 1whg n ASN 83 Cb 0.48 -4.66 0.00 0.00 -1.02 0.00 0.00 39.78 34.58 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 -1.31 0.48 2.68 7.41 0.00 -1.26 -5.05 105.19 108.13 1whg n GLY 84 Ca -0.15 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1whg n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whg s LYS 85 N -3.79 0.17 0.35 1.61 2.36 -0.89 -5.14 119.74 114.41 1whg s LYS 85 Ca 0.00 0.09 -0.12 0.00 -2.55 0.00 0.00 55.97 53.39 1whg s LYS 85 Cb 0.00 -1.20 -0.08 0.00 -1.05 0.00 0.00 37.83 35.50 1whg s LYS 85 CO 0.00 -0.47 0.73 0.50 1.55 0.00 0.00 175.35 177.66 1whg s ARG 86 N 2.09 3.87 0.13 4.03 3.52 -1.26 0.16 118.95 131.49 1whg s ARG 86 Ca 0.03 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1whg s ARG 86 Cb -0.14 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1whg s ARG 86 CO -0.06 0.08 0.00 0.66 -0.81 0.00 0.00 175.30 175.17 1whg n TYR 87 N -0.79 -0.92 -4.33 5.12 4.02 -0.59 -4.97 117.16 114.71 1whg n TYR 87 Ca 0.03 0.16 -0.16 0.00 -0.01 0.00 0.00 57.90 57.92 1whg n TYR 87 Cb 0.53 0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 40.16 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 -3.16 0.46 -3.90 -0.72 1.16 -1.26 -4.79 117.46 105.26 1whg n PHE 88 Ca 0.00 -1.27 -0.30 0.00 -1.87 0.00 0.00 57.45 54.02 1whg n PHE 88 Cb 0.08 -0.18 -0.16 0.00 -1.61 0.00 0.00 39.48 37.62 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 -2.95 1.40 0.11 3.97 2.02 -1.26 -4.79 118.70 117.19 1whg s GLU 89 Ca 0.01 -0.93 -0.24 0.00 0.02 0.00 0.00 54.97 53.82 1whg s GLU 89 Cb -0.00 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.82 1whg s GLU 89 CO 0.01 -0.64 1.13 0.00 0.02 0.00 0.00 175.26 175.77 1whg s GLN 91 N -2.14 1.70 0.56 0.00 -0.21 -1.26 -4.67 119.66 113.65 1whg s GLN 91 Ca 0.24 -0.72 -0.17 0.00 0.02 0.00 0.00 55.36 54.72 1whg s GLN 91 Cb -0.02 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 1whg s GLN 91 CO 0.03 -1.50 1.06 0.00 -2.12 0.00 0.00 175.29 172.76 1whg s ALA 92 N -3.27 2.77 -1.29 6.09 0.00 -1.26 -3.70 121.76 121.09 1whg s ALA 92 Ca 0.65 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 53.02 1whg s ALA 92 Cb -0.07 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1whg s ALA 92 CO 0.45 -0.66 1.13 1.63 0.00 0.00 0.00 175.76 178.31 1whg n LYS 93 N -1.65 -7.60 0.00 0.00 5.02 -1.17 -4.82 118.16 107.94 1whg n LYS 93 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1whg n LYS 93 Cb 0.53 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 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 -4.88 -0.47 -3.51 2.13 4.01 -1.24 -1.57 117.16 111.63 1whg n TYR 94 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1whg n TYR 94 Cb 0.56 0.36 -0.10 0.00 -0.31 0.00 0.00 39.34 39.85 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 -3.75 1.98 0.59 2.72 0.00 -1.25 -0.96 107.32 106.65 1whg s GLY 95 Ca 0.00 -1.71 0.10 0.00 0.00 0.00 0.00 44.72 43.11 1whg s GLY 95 CO 0.00 0.89 0.81 0.00 0.00 0.00 0.00 173.10 174.80 1whg s ALA 96 N 1.64 4.73 -0.27 3.20 0.00 -0.41 -3.39 121.76 127.27 1whg s ALA 96 Ca 0.04 -2.18 -0.00 0.00 0.00 0.00 0.00 51.96 49.82 1whg s ALA 96 Cb -0.19 -1.42 0.08 0.00 0.00 0.00 0.00 23.12 21.59 1whg s ALA 96 CO 0.09 -0.92 0.04 -0.06 0.00 0.00 0.00 175.76 174.92 1whg s PHE 97 N -2.70 1.90 0.37 0.00 0.08 -1.26 -2.15 117.98 114.22 1whg s PHE 97 Ca 0.62 -1.65 0.08 0.00 0.12 0.00 0.00 56.93 56.10 1whg s PHE 97 Cb -0.05 -1.63 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 1whg s PHE 97 CO 0.39 -0.80 0.04 0.14 -0.10 0.00 0.00 175.22 174.89 1whg s VAL 98 N 1.55 2.42 0.23 -0.44 -7.23 -0.41 -4.92 120.40 111.60 1whg s VAL 98 Ca 0.03 -1.94 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 1whg s VAL 98 Cb -0.18 -2.86 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 1whg s VAL 98 CO -0.15 -0.13 0.60 -0.54 -0.31 0.00 0.00 175.10 174.58 1whg s LYS 99 N -3.74 3.92 0.20 4.82 -0.14 -1.26 -0.58 119.74 122.95 1whg s LYS 99 Ca 0.36 0.46 -0.17 0.00 -1.36 0.00 0.00 55.97 55.26 1whg s LYS 99 Cb 0.03 -2.68 0.19 0.00 -1.68 0.00 0.00 37.83 33.69 1whg s LYS 99 CO 0.20 0.32 1.61 -1.35 -0.76 0.00 0.00 175.35 175.36 1whg h PRO 100 N 2.78 -0.08 -0.16 -1.68 0.11 -1.89 1.60 132.00 132.68 1whg h PRO 100 Ca -0.48 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 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 0.67 -0.05 0.23 1.03 -0.21 0.00 0.00 178.00 179.67 1whg h SER 101 N -0.08 0.00 0.79 -2.05 0.87 -1.94 0.86 113.55 112.00 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 -0.69 0.00 -0.53 0.00 0.00 176.83 174.94 1whg n ALA 102 N -2.24 3.01 -2.86 6.23 0.00 0.52 -4.86 120.51 120.31 1whg n ALA 102 Ca 0.01 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 1whg n ALA 102 Cb 0.34 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.17 5.35 -0.18 0.00 1.01 0.30 -1.75 120.40 121.96 1whg s VAL 103 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1whg s VAL 103 Cb 0.14 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.20 1whg s VAL 103 CO 0.73 0.56 -0.09 -0.89 0.00 0.00 0.00 175.10 175.42 1whg s THR 104 N -1.07 1.40 0.06 3.92 2.01 0.15 -4.87 115.64 117.24 1whg s THR 104 Ca 0.17 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1whg s THR 104 Cb -0.12 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 1whg s THR 104 CO 0.07 0.19 0.61 -0.69 -0.69 0.00 0.00 174.62 174.10 1whg s VAL 105 N 1.51 4.73 0.07 3.82 1.01 -1.26 0.10 120.40 130.38 1whg s VAL 105 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.28 1whg s VAL 105 Cb -0.15 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1whg s VAL 105 CO -0.08 0.51 -0.02 0.61 0.00 0.00 0.00 175.10 176.12 1whg n GLY 106 N 1.92 -0.04 3.33 4.51 0.00 -1.24 -4.95 105.19 108.72 1whg n GLY 106 Ca -0.08 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.80 3.75 0.24 1.61 -1.08 -1.25 -5.13 116.67 109.01 1whg s ASP 107 Ca -0.01 -0.39 0.06 0.00 -0.52 0.00 0.00 52.55 51.69 1whg s ASP 107 Cb 0.00 -1.52 -0.03 0.00 -1.46 0.00 0.00 42.92 39.90 1whg s ASP 107 CO 0.02 0.17 0.25 -0.44 0.52 0.00 0.00 175.17 175.69 1whg s SER 108 N 0.31 5.83 0.00 -0.34 0.01 -1.26 -3.94 113.70 114.31 1whg s SER 108 Ca -0.12 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1whg s SER 108 Cb -0.16 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1whg s SER 108 CO 0.06 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1whg n GLY 109 N -1.16 1.27 3.76 3.44 0.00 -1.26 -5.07 105.19 106.17 1whg n GLY 109 Ca -0.08 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1whg n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whg s PRO 110 N -0.12 2.36 0.00 1.61 0.04 -1.24 -4.91 135.00 132.73 1whg s PRO 110 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1whg s PRO 110 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1whg s PRO 110 CO 0.00 -1.58 0.00 0.45 0.04 0.00 0.00 177.00 175.91 1whg n SER 111 N -3.20 1.55 -0.09 6.66 2.88 -1.26 -4.89 113.62 115.26 1whg n SER 111 Ca 0.10 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.42 1whg n SER 111 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1whg n SER 111 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1whg h SER 112 N 0.00 0.04 0.00 -3.46 0.87 -1.94 -3.55 113.55 105.50 1whg h SER 112 Ca 0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1whg h SER 112 Cb 0.74 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1whg h SER 112 CO 0.00 1.53 0.00 0.61 -0.53 0.00 0.00 176.83 178.44