#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mda n ASP 8 N 0.00 -4.00 0.20 -1.34 -0.08 -1.26 -4.85 116.55 105.22 1mda n ASP 8 Ca 0.00 1.03 0.04 0.00 -1.51 0.00 0.00 54.79 54.35 1mda n ASP 8 Cb 0.00 -3.70 0.40 0.00 2.34 0.00 0.00 41.12 40.16 1mda n ASP 8 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1mda h PRO 9 N 2.66 0.00 -1.05 -0.67 0.10 -2.06 -3.29 132.00 127.69 1mda h PRO 9 Ca -0.18 0.00 -0.55 0.00 0.10 0.00 0.00 66.00 65.37 1mda h PRO 9 Cb 0.40 0.00 -0.27 0.00 0.10 0.00 0.00 31.00 31.22 1mda h PRO 9 CO 0.00 0.33 0.71 0.54 0.10 0.00 0.00 178.00 179.68 1mda n ARG 10 N -4.07 2.36 -4.34 1.05 1.74 -1.26 -4.93 116.66 107.20 1mda n ARG 10 Ca -0.02 -2.89 -0.28 0.00 -0.77 0.00 0.00 57.85 53.90 1mda n ARG 10 Cb 0.38 -2.13 -0.11 0.00 -1.02 0.00 0.00 32.46 29.57 1mda n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mda s ALA 11 N -3.27 2.68 0.18 7.54 0.00 -1.24 -5.08 121.76 122.57 1mda s ALA 11 Ca 0.56 -1.48 -0.33 0.00 0.00 0.00 0.00 51.96 50.71 1mda s ALA 11 Cb 0.45 -0.56 -0.14 0.00 0.00 0.00 0.00 23.12 22.88 1mda s ALA 11 CO 0.04 0.51 1.49 1.17 0.00 0.00 0.00 175.76 178.97 1mda n LYS 12 N 0.45 1.99 -1.48 0.00 3.00 -1.26 -4.88 118.16 115.97 1mda n LYS 12 Ca -0.14 0.71 -0.47 0.00 -0.00 0.00 0.00 58.31 58.42 1mda n LYS 12 Cb 0.54 -2.43 -0.03 0.00 0.00 0.00 0.00 35.03 33.12 1mda n LYS 12 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1mda n TRP 13 N 2.82 0.26 -3.69 5.64 -0.00 -1.26 -4.95 117.44 116.26 1mda n TRP 13 Ca 0.15 0.86 -0.30 0.00 -0.00 0.00 0.00 57.50 58.22 1mda n TRP 13 Cb 0.28 -2.08 -0.15 0.00 -0.00 0.00 0.00 31.31 29.36 1mda n TRP 13 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 177.69 178.83 1mda s GLN 14 N -1.17 0.66 0.51 5.87 0.00 -1.26 -5.11 119.66 119.16 1mda s GLN 14 Ca 0.63 -1.06 -0.20 0.00 -0.00 0.00 0.00 55.36 54.73 1mda s GLN 14 Cb -0.85 -1.86 -0.07 0.00 0.00 0.00 0.00 33.01 30.23 1mda s GLN 14 CO 0.57 -1.01 1.06 -1.25 0.00 0.00 0.00 175.29 174.66 1mda s PRO 15 N 1.59 3.65 0.21 9.60 0.04 -1.26 -4.80 135.00 144.03 1mda s PRO 15 Ca 0.10 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1mda s PRO 15 Cb -0.18 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1mda s PRO 15 CO -0.25 -0.56 0.07 1.14 0.04 0.00 0.00 177.00 177.44 1mda s GLN 16 N -3.32 1.22 -0.31 4.56 1.03 -0.24 -4.88 119.66 117.72 1mda s GLN 16 Ca 0.68 -1.63 0.18 0.00 0.04 0.00 0.00 55.36 54.63 1mda s GLN 16 Cb -0.18 -0.12 0.47 0.00 0.03 0.00 0.00 33.01 33.22 1mda s GLN 16 CO 0.23 -0.25 1.03 -3.47 -2.54 0.00 0.00 175.29 170.29 1mda n ASP 17 N -0.32 1.98 0.00 12.60 2.03 -1.26 -0.34 116.55 131.24 1mda n ASP 17 Ca -0.02 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.66 1mda n ASP 17 Cb 0.65 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1mda n ASP 17 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1mda n ASN 18 N -0.32 0.00 0.00 1.67 0.23 -1.26 -5.02 115.26 110.57 1mda n ASN 18 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 1mda n ASN 18 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 1mda n ASN 18 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1mda n ASP 19 N 0.00 0.00 0.00 0.53 -0.08 -1.26 -5.00 116.55 110.74 1mda n ASP 19 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1mda n ASP 19 Cb 0.00 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.00 1mda n ASP 19 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1mda n ILE 20 N -2.44 0.00 0.51 5.18 -5.35 -1.26 -4.75 119.36 111.25 1mda n ILE 20 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 1mda n ILE 20 Cb 0.00 0.00 0.15 0.00 -1.74 0.00 0.00 39.64 38.05 1mda n ILE 20 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1mda h GLN 21 N 0.50 0.00 -6.63 6.28 4.20 -2.01 -3.47 115.11 113.98 1mda h GLN 21 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1mda h GLN 21 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1mda h GLN 21 CO 0.00 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 178.07 1mda s ALA 22 N -3.19 3.59 -0.77 3.87 0.00 -1.26 -4.90 121.76 119.08 1mda s ALA 22 Ca 0.05 -0.68 0.26 0.00 0.00 0.00 0.00 51.96 51.60 1mda s ALA 22 Cb 0.13 -2.31 0.83 0.00 0.00 0.00 0.00 23.12 21.76 1mda s ALA 22 CO 0.73 -0.03 1.75 0.00 0.00 0.00 0.00 175.76 178.20 1mda n ASP 24 N -2.10 2.45 -4.72 0.00 5.75 -1.26 -4.87 116.55 111.80 1mda n ASP 24 Ca 0.06 -2.06 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 1mda n ASP 24 Cb 0.41 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1mda n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1mda s TYR 25 N -1.49 3.16 0.21 2.11 5.04 -1.19 -1.07 117.35 124.12 1mda s TYR 25 Ca 0.29 0.82 -0.21 0.00 -2.44 0.00 0.00 57.07 55.54 1mda s TYR 25 Cb 0.16 -3.79 0.17 0.00 0.35 0.00 0.00 41.96 38.85 1mda s TYR 25 CO 0.18 -2.82 1.55 2.35 -1.34 0.00 0.00 175.55 175.48 1mda h TRP 26 N 6.73 -1.27 0.00 4.97 7.01 -1.01 -0.11 115.95 132.27 1mda h TRP 26 Ca -0.42 0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1mda h TRP 26 Cb 1.21 0.70 0.00 0.00 -2.10 0.00 0.00 29.16 28.96 1mda h TRP 26 CO 0.65 -0.40 0.00 0.00 -2.79 0.00 0.00 178.44 175.90 1mda h ARG 27 N -0.01 0.00 -0.72 2.65 3.08 -1.90 -3.14 114.38 114.35 1mda h ARG 27 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1mda h ARG 27 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1mda h ARG 27 CO -0.97 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 178.65 1mda n HIS 28 N -2.43 0.66 0.00 3.04 8.25 -0.05 -4.61 115.22 120.08 1mda n HIS 28 Ca 0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1mda n HIS 28 Cb 0.18 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1mda n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mda n SER 30 N -1.21 -1.08 -4.86 0.00 3.41 -1.26 -0.65 113.62 107.97 1mda n SER 30 Ca 0.00 -2.23 -0.32 0.00 -0.26 0.00 0.00 58.87 56.06 1mda n SER 30 Cb 0.07 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 1mda n SER 30 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1mda s ILE 31 N -0.43 4.77 -0.20 -1.33 -4.36 -1.14 -4.84 121.20 113.68 1mda s ILE 31 Ca 0.13 0.72 -0.05 0.00 -0.26 0.00 0.00 60.65 61.19 1mda s ILE 31 Cb 0.43 -3.65 0.07 0.00 1.25 0.00 0.00 42.46 40.56 1mda s ILE 31 CO -0.11 -0.26 0.10 0.00 0.24 0.00 0.00 174.94 174.91 1mda s ALA 32 N -2.06 0.48 0.00 2.27 0.00 -1.25 -0.49 121.76 120.70 1mda s ALA 32 Ca 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1mda s ALA 32 Cb -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1mda s ALA 32 CO 0.23 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1mda n GLY 33 N 5.27 0.35 3.08 0.00 0.00 -0.39 -4.92 105.19 108.58 1mda n GLY 33 Ca -0.07 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1mda n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mda s ASN 34 N -4.00 0.76 -0.00 1.61 0.01 -1.26 0.15 114.94 112.20 1mda s ASN 34 Ca 0.00 -0.71 -0.30 0.00 -0.71 0.00 0.00 52.86 51.14 1mda s ASN 34 Cb 0.00 0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.71 1mda s ASN 34 CO 0.00 -0.34 0.98 -0.63 -1.51 0.00 0.00 177.10 175.60 1mda s ILE 35 N -2.26 4.87 0.40 0.60 1.01 -1.08 -1.85 121.20 122.89 1mda s ILE 35 Ca -0.04 2.06 0.14 0.00 0.00 0.00 0.00 60.65 62.80 1mda s ILE 35 Cb -0.04 -4.32 0.13 0.00 0.01 0.00 0.00 42.46 38.24 1mda s ILE 35 CO -0.02 0.16 1.90 0.00 0.00 0.00 0.00 174.94 176.97 1mda h ASP 37 N 0.00 0.00 0.76 0.00 3.58 -1.77 0.35 116.42 119.35 1mda h ASP 37 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1mda h ASP 37 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1mda h ASP 37 CO 0.04 0.04 -0.12 0.00 -2.88 0.00 0.00 179.24 176.32 1mda n SER 39 N -1.41 1.21 0.00 0.00 3.41 -0.74 -4.85 113.62 111.24 1mda n SER 39 Ca 0.08 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1mda n SER 39 Cb 0.32 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1mda n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mda n ALA 40 N -0.41 0.00 -1.20 7.33 0.00 -1.16 -4.78 120.51 120.28 1mda n ALA 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1mda n ALA 40 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1mda n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mda n GLY 41 N -2.13 1.11 3.48 0.00 0.00 0.12 -4.30 105.19 103.47 1mda n GLY 41 Ca 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 1mda n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mda s SER 42 N -1.00 0.71 0.62 1.61 1.04 0.19 -4.39 113.70 112.48 1mda s SER 42 Ca 0.00 -1.39 0.31 0.00 0.48 0.00 0.00 55.95 55.35 1mda s SER 42 Cb 0.00 0.63 1.71 0.00 0.10 0.00 0.00 66.02 68.46 1mda s SER 42 CO 0.00 -1.23 2.04 0.25 0.98 0.00 0.00 173.24 175.28 1mda h LEU 43 N 2.17 0.00 -1.27 2.42 7.12 -1.96 -3.02 115.31 120.78 1mda h LEU 43 Ca -0.28 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.73 1mda h LEU 43 Cb 1.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1mda h LEU 43 CO 0.39 0.00 0.00 0.35 -0.13 0.00 0.00 178.44 179.05 1mda n THR 44 N -3.42 0.13 -4.30 1.05 -2.24 -1.26 -1.62 114.28 102.62 1mda n THR 44 Ca 0.01 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.46 1mda n THR 44 Cb 0.37 0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 1mda n THR 44 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mda s SER 45 N -0.13 1.74 0.39 3.42 0.01 -1.14 -4.87 113.70 113.11 1mda s SER 45 Ca 0.00 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.58 1mda s SER 45 Cb 0.00 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 1mda s SER 45 CO 0.00 0.00 0.82 0.00 0.41 0.00 0.00 173.24 174.47 1mda s PRO 47 N -3.36 1.61 0.69 0.00 0.02 -1.26 -4.64 135.00 128.06 1mda s PRO 47 Ca 0.56 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.62 1mda s PRO 47 Cb -0.10 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.62 1mda s PRO 47 CO 0.21 -2.11 1.26 -1.25 -0.33 0.00 0.00 177.00 174.78 1mda s PRO 48 N -4.82 2.30 0.00 5.54 0.04 -1.26 -2.99 135.00 133.81 1mda s PRO 48 Ca 0.63 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1mda s PRO 48 Cb -0.19 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1mda s PRO 48 CO 0.57 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1mda n GLY 49 N 0.71 0.70 3.93 0.56 0.00 -1.26 -4.98 105.19 104.85 1mda n GLY 49 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1mda n GLY 49 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mda s THR 50 N -2.68 5.18 -0.13 2.61 -1.32 -1.16 -4.88 115.64 113.26 1mda s THR 50 Ca 0.00 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.62 1mda s THR 50 Cb 0.00 -3.72 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1mda s THR 50 CO 0.00 -0.18 -0.11 -0.76 -2.21 0.00 0.00 174.62 171.36 1mda s LEU 51 N -3.47 2.86 -0.03 9.08 1.43 0.17 -4.86 118.68 123.85 1mda s LEU 51 Ca 0.34 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 1mda s LEU 51 Cb -0.10 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1mda s LEU 51 CO 0.28 0.19 0.80 -0.69 0.23 0.00 0.00 176.35 177.15 1mda s VAL 52 N 0.22 4.96 0.79 -1.59 1.01 -1.26 0.29 120.40 124.83 1mda s VAL 52 Ca -0.07 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.46 1mda s VAL 52 Cb -0.15 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.17 1mda s VAL 52 CO 0.05 0.23 1.15 0.00 0.00 0.00 0.00 175.10 176.53 1mda s ALA 53 N 0.79 2.73 -0.26 5.51 0.00 -0.53 -4.24 121.76 125.75 1mda s ALA 53 Ca 0.42 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1mda s ALA 53 Cb -0.19 -2.90 -0.15 0.00 0.00 0.00 0.00 23.12 19.88 1mda s ALA 53 CO 0.22 -1.62 -0.27 0.43 0.00 0.00 0.00 175.76 174.52 1mda n SER 54 N -3.26 1.99 -4.72 0.00 7.64 -0.19 -4.86 113.62 110.23 1mda n SER 54 Ca 0.08 0.02 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 1mda n SER 54 Cb 0.61 -0.53 0.10 0.00 -1.01 0.00 0.00 64.21 63.37 1mda n SER 54 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1mda s GLY 55 N -6.13 2.33 0.00 0.23 0.00 -1.01 -4.99 107.32 97.75 1mda s GLY 55 Ca -0.35 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1mda s GLY 55 CO 0.55 1.29 0.00 -1.14 0.00 0.00 0.00 173.10 173.80 1mda n SER 56 N -2.80 1.11 -3.96 1.64 3.41 -1.26 -4.44 113.62 107.32 1mda n SER 56 Ca 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1mda n SER 56 Cb 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1mda n SER 56 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1mda s VAL 58 N -0.50 0.18 -0.23 -3.33 -7.23 -1.24 -4.94 120.40 103.11 1mda s VAL 58 Ca 0.00 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1mda s VAL 58 Cb 0.00 -1.38 0.06 0.00 0.56 0.00 0.00 36.38 35.62 1mda s VAL 58 CO 0.00 -0.80 0.58 -0.83 -0.31 0.00 0.00 175.10 173.74 1mda s GLY 59 N -2.83 -0.47 -0.74 2.32 0.00 -1.00 -4.70 107.32 99.89 1mda s GLY 59 Ca 0.05 1.86 -0.18 0.00 0.00 0.00 0.00 44.72 46.44 1mda s GLY 59 CO -0.10 1.78 0.87 -0.45 0.00 0.00 0.00 173.10 175.20 1mda s SER 60 N 0.97 6.42 -0.08 1.64 0.15 -1.26 -0.82 113.70 120.72 1mda s SER 60 Ca -0.05 -1.80 -0.11 0.00 0.70 0.00 0.00 55.95 54.68 1mda s SER 60 Cb -0.05 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1mda s SER 60 CO -0.09 -1.04 0.28 0.00 1.20 0.00 0.00 173.24 173.59 1mda s TYR 62 N -0.82 3.50 -0.23 0.00 5.04 -1.26 -0.37 117.35 123.21 1mda s TYR 62 Ca 0.19 1.10 -0.18 0.00 -2.44 0.00 0.00 57.07 55.74 1mda s TYR 62 Cb -0.14 -2.77 -0.03 0.00 0.35 0.00 0.00 41.96 39.37 1mda s TYR 62 CO 0.08 0.01 0.51 1.21 -1.34 0.00 0.00 175.55 176.02 1mda s ASN 63 N 0.90 6.49 0.27 4.32 2.47 -0.87 -4.85 114.94 123.67 1mda s ASN 63 Ca 0.33 0.59 0.04 0.00 0.42 0.00 0.00 52.86 54.25 1mda s ASN 63 Cb -0.17 -2.28 0.36 0.00 -1.45 0.00 0.00 41.25 37.71 1mda s ASN 63 CO 0.14 -0.23 1.65 1.55 -3.72 0.00 0.00 177.10 176.50 1mda h PRO 64 N 7.72 0.33 0.00 0.43 0.13 -1.89 -3.19 132.00 135.52 1mda h PRO 64 Ca -0.32 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1mda h PRO 64 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1mda h PRO 64 CO 0.73 0.71 0.00 -2.30 -0.23 0.00 0.00 178.00 176.90 1mda n PRO 65 N -4.01 0.00 -2.92 1.56 -0.02 -1.26 -4.36 135.00 123.99 1mda n PRO 65 Ca -0.02 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 1mda n PRO 65 Cb 0.51 -0.91 -0.05 0.00 -0.02 0.00 0.00 33.50 33.03 1mda n PRO 65 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1mda s ASP 66 N -1.90 6.63 -0.97 2.55 1.47 -1.26 -4.93 116.67 118.26 1mda s ASP 66 Ca 0.00 0.54 -0.07 0.00 1.18 0.00 0.00 52.55 54.20 1mda s ASP 66 Cb 0.00 -2.41 -0.10 0.00 -0.34 0.00 0.00 42.92 40.06 1mda s ASP 66 CO 0.00 -0.70 2.62 -0.81 0.68 0.00 0.00 175.17 176.96 1mda n PRO 67 N 6.39 2.57 -4.10 2.11 -0.04 -1.20 -4.35 135.00 136.38 1mda n PRO 67 Ca 0.04 -1.58 -0.13 0.00 -0.04 0.00 0.00 63.50 61.79 1mda n PRO 67 Cb 0.48 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.38 1mda n PRO 67 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mda s ASN 68 N 2.67 1.01 0.42 3.54 4.22 -1.23 -4.91 114.94 120.66 1mda s ASN 68 Ca 0.54 -0.69 -0.19 0.00 -2.14 0.00 0.00 52.86 50.38 1mda s ASN 68 Cb 0.16 0.05 -0.10 0.00 1.28 0.00 0.00 41.25 42.64 1mda s ASN 68 CO -0.04 -0.27 0.90 -0.54 -2.04 0.00 0.00 177.10 175.12 1mda s LYS 69 N -2.26 4.12 0.04 3.55 1.02 -1.26 -2.04 119.74 122.91 1mda s LYS 69 Ca -0.03 0.98 0.02 0.00 0.02 0.00 0.00 55.97 56.96 1mda s LYS 69 Cb -0.05 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1mda s LYS 69 CO -0.01 -0.03 -0.07 0.71 -0.92 0.00 0.00 175.35 175.03 1mda s TYR 70 N -2.21 0.62 -0.51 3.18 1.51 0.50 -4.78 117.35 115.66 1mda s TYR 70 Ca 0.60 -0.55 -0.23 0.00 -1.01 0.00 0.00 57.07 55.87 1mda s TYR 70 Cb -0.09 -0.38 0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1mda s TYR 70 CO 0.17 -0.11 0.85 0.42 -1.11 0.00 0.00 175.55 175.77 1mda s ILE 71 N -1.64 4.54 -0.11 2.71 -1.09 -0.72 -0.88 121.20 124.00 1mda s ILE 71 Ca -0.09 0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 58.36 1mda s ILE 71 Cb -0.08 -4.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1mda s ILE 71 CO -0.01 -0.94 0.58 -0.89 -1.23 0.00 0.00 174.94 172.46 1mda s THR 72 N 3.55 5.11 -0.61 2.92 2.01 0.00 -0.97 115.64 127.65 1mda s THR 72 Ca 0.28 1.16 -0.15 0.00 0.31 0.00 0.00 61.69 63.30 1mda s THR 72 Cb -0.13 -3.91 0.15 0.00 0.01 0.00 0.00 72.50 68.62 1mda s THR 72 CO 0.19 0.26 0.55 0.00 -0.69 0.00 0.00 174.62 174.94 1mda s ALA 73 N 0.90 3.74 -0.86 7.40 0.00 -0.64 -2.37 121.76 129.93 1mda s ALA 73 Ca 0.30 -2.76 -0.25 0.00 0.00 0.00 0.00 51.96 49.26 1mda s ALA 73 Cb -0.16 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1mda s ALA 73 CO 0.13 -2.08 1.69 0.71 0.00 0.00 0.00 175.76 176.21 1mda s TYR 74 N 1.17 2.06 0.01 0.00 2.02 -1.26 -4.20 117.35 117.14 1mda s TYR 74 Ca 0.07 0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 1mda s TYR 74 Cb -0.24 -4.33 -0.06 0.00 -0.40 0.00 0.00 41.96 36.93 1mda s TYR 74 CO -0.01 -1.95 0.47 1.03 -1.57 0.00 0.00 175.55 173.52 1mda s ARG 75 N 6.23 4.06 0.23 -0.62 0.52 -1.20 -4.55 118.95 123.62 1mda s ARG 75 Ca 0.57 0.52 -0.08 0.00 -0.52 0.00 0.00 55.73 56.23 1mda s ARG 75 Cb -0.06 -3.26 -0.07 0.00 0.52 0.00 0.00 34.95 32.09 1mda s ARG 75 CO 0.02 0.60 0.53 -0.51 0.02 0.00 0.00 175.30 175.96 1mda s ASP 76 N -0.85 6.57 -0.18 0.23 1.01 -1.21 0.04 116.67 122.28 1mda s ASP 76 Ca 0.26 0.83 -0.07 0.00 0.71 0.00 0.00 52.55 54.28 1mda s ASP 76 Cb -0.17 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1mda s ASP 76 CO 0.15 -0.08 0.06 0.00 0.21 0.00 0.00 175.17 175.51 1mda n GLY 79 N -0.81 0.91 3.26 0.00 0.00 -1.05 0.46 105.19 107.95 1mda n GLY 79 Ca -0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1mda n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mda s TYR 80 N -2.00 1.12 0.44 1.61 1.51 -1.26 -4.94 117.35 113.83 1mda s TYR 80 Ca 0.00 -1.33 -0.01 0.00 -1.01 0.00 0.00 57.07 54.71 1mda s TYR 80 Cb 0.00 -0.48 -0.02 0.00 -0.11 0.00 0.00 41.96 41.35 1mda s TYR 80 CO 0.00 -0.71 0.68 1.21 -1.11 0.00 0.00 175.55 175.62 1mda s ASN 81 N -3.16 6.06 0.23 2.29 3.04 -1.26 -3.98 114.94 118.16 1mda s ASN 81 Ca 0.37 0.53 -0.31 0.00 0.04 0.00 0.00 52.86 53.49 1mda s ASN 81 Cb 0.06 -1.88 -0.14 0.00 -1.54 0.00 0.00 41.25 37.75 1mda s ASN 81 CO 0.13 -0.57 1.38 1.33 -3.04 0.00 0.00 177.10 176.33 1mda n VAL 82 N -2.07 0.94 0.01 -5.21 0.24 -1.07 -4.46 118.33 106.71 1mda n VAL 82 Ca -0.01 -0.24 0.01 0.00 -2.04 0.00 0.00 64.34 62.07 1mda n VAL 82 Cb 0.57 -1.41 0.34 0.00 -1.47 0.00 0.00 33.84 31.86 1mda n VAL 82 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1mda h SER 83 N 4.13 0.46 0.00 -1.34 4.64 -1.83 -3.46 113.55 116.14 1mda h SER 83 Ca -0.45 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1mda h SER 83 Cb 1.28 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1mda h SER 83 CO 0.75 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 1mda n GLY 84 N -1.03 0.42 0.00 -0.77 0.00 -1.26 -4.98 105.19 97.57 1mda n GLY 84 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mda n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mda n ARG 85 N -1.71 0.00 -2.37 1.61 1.74 -1.26 -4.74 116.66 109.94 1mda n ARG 85 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1mda n ARG 85 Cb 0.13 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.53 1mda n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mda s ALA 87 N 6.99 3.64 0.00 0.00 0.00 -1.26 -2.63 121.76 128.50 1mda s ALA 87 Ca 0.58 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.64 1mda s ALA 87 Cb 0.00 -3.76 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 1mda s ALA 87 CO 0.03 -1.33 0.10 0.00 0.00 0.00 0.00 175.76 174.56 1mda s LEU 89 N -1.31 0.16 0.21 0.00 0.20 -1.25 -1.26 118.68 115.43 1mda s LEU 89 Ca -0.14 -0.48 0.10 0.00 0.69 0.00 0.00 54.13 54.30 1mda s LEU 89 Cb -0.08 0.02 -0.05 0.00 -0.43 0.00 0.00 46.19 45.66 1mda s LEU 89 CO 0.01 -0.34 -0.19 0.20 -0.29 0.00 0.00 176.35 175.73 1mda s ASN 90 N 2.22 3.07 -0.05 3.68 0.01 0.35 -4.99 114.94 119.24 1mda s ASN 90 Ca 0.04 -0.94 0.24 0.00 -0.71 0.00 0.00 52.86 51.50 1mda s ASN 90 Cb -0.16 -0.21 0.44 0.00 0.41 0.00 0.00 41.25 41.73 1mda s ASN 90 CO -0.11 -0.01 1.17 0.35 -1.51 0.00 0.00 177.10 176.98 1mda n THR 91 N -0.10 0.35 -1.67 1.60 -2.24 -1.21 -3.92 114.28 107.10 1mda n THR 91 Ca -0.10 -1.45 -0.39 0.00 -2.27 0.00 0.00 64.05 59.84 1mda n THR 91 Cb 0.58 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 1mda n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mda s GLU 92 N -0.78 2.64 -1.16 -0.78 0.41 0.17 -2.42 118.70 116.78 1mda s GLU 92 Ca 0.34 1.56 -0.00 0.00 -0.41 0.00 0.00 54.97 56.45 1mda s GLU 92 Cb 0.38 -4.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.28 1mda s GLU 92 CO -0.14 -2.67 0.02 0.41 -0.49 0.00 0.00 175.26 172.39 1mda n GLY 93 N 5.83 -0.19 0.36 -1.39 0.00 -1.26 -4.65 105.19 103.89 1mda n GLY 93 Ca 0.31 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1mda n GLY 93 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1mda h GLU 94 N -0.05 0.91 -3.89 1.61 -0.00 -1.66 -3.48 114.58 108.03 1mda h GLU 94 Ca -0.33 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 1mda h GLU 94 Cb 1.24 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 29.79 1mda h GLU 94 CO 0.38 0.60 -0.95 1.28 -0.00 0.00 0.00 179.01 180.33 1mda n LEU 95 N -4.47 -2.99 -4.49 3.06 4.32 -1.26 -2.37 117.00 108.80 1mda n LEU 95 Ca 0.12 3.19 -0.28 0.00 -0.02 0.00 0.00 56.01 59.02 1mda n LEU 95 Cb 0.18 -3.14 0.25 0.00 -1.62 0.00 0.00 43.42 39.10 1mda n LEU 95 CO 0.34 0.28 0.52 -2.84 -1.22 0.00 0.00 177.39 174.46 1mda s PRO 96 N -3.45 -1.00 0.66 3.23 0.02 -1.26 -3.87 135.00 129.33 1mda s PRO 96 Ca 0.00 0.78 0.26 0.00 0.02 0.00 0.00 61.00 62.06 1mda s PRO 96 Cb 0.00 -1.55 1.39 0.00 0.02 0.00 0.00 34.50 34.36 1mda s PRO 96 CO 0.00 -3.77 1.79 -0.24 -0.33 0.00 0.00 177.00 174.45 1mda h VAL 97 N -2.65 0.02 0.00 3.83 3.04 -1.97 -3.05 116.25 115.48 1mda h VAL 97 Ca -0.62 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 64.96 1mda h VAL 97 Cb 1.34 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 1mda h VAL 97 CO 0.51 0.00 0.38 0.00 -1.01 0.00 0.00 177.57 177.45 1mda n TYR 98 N -2.88 0.12 -1.13 3.17 4.11 -1.26 -4.63 117.16 114.67 1mda n TYR 98 Ca -0.01 -0.74 0.14 0.00 -0.00 0.00 0.00 57.90 57.29 1mda n TYR 98 Cb 0.49 -0.96 -0.08 0.00 -0.00 0.00 0.00 39.34 38.80 1mda n TYR 98 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1mda n ASN 99 N 2.99 -6.13 0.00 9.48 3.02 -1.15 -4.96 115.26 118.50 1mda n ASN 99 Ca 0.20 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.89 1mda n ASN 99 Cb 0.35 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 1mda n ASN 99 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1mda n LYS 100 N -3.83 0.00 -0.03 3.52 0.00 -1.26 -4.07 118.16 112.48 1mda n LYS 100 Ca -0.07 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.30 1mda n LYS 100 Cb 0.54 -0.79 0.07 0.00 -0.00 0.00 0.00 35.03 34.85 1mda n LYS 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1mda n ASP 101 N 0.00 2.16 -4.63 -5.58 8.00 -1.26 -3.63 116.55 111.62 1mda n ASP 101 Ca 0.00 -1.58 -0.43 0.00 0.71 0.00 0.00 54.79 53.49 1mda n ASP 101 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1mda n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mda s ALA 102 N -1.00 3.35 -2.34 2.24 0.00 -1.00 -4.28 121.76 118.75 1mda s ALA 102 Ca 0.16 -0.10 0.22 0.00 0.00 0.00 0.00 51.96 52.23 1mda s ALA 102 Cb 0.10 -3.77 0.52 0.00 0.00 0.00 0.00 23.12 19.98 1mda s ALA 102 CO 0.15 -1.80 1.44 0.27 0.00 0.00 0.00 175.76 175.83 1mda n ASN 103 N 7.43 2.97 0.14 0.00 2.04 -1.26 -4.19 115.26 122.39 1mda n ASN 103 Ca 0.13 -1.93 0.11 0.00 -0.44 0.00 0.00 54.58 52.45 1mda n ASN 103 Cb 0.47 -0.24 0.05 0.00 -2.53 0.00 0.00 39.78 37.53 1mda n ASN 103 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1mda h ASP 104 N 3.73 0.00 -3.26 0.53 3.32 -1.96 -3.43 116.42 115.36 1mda h ASP 104 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1mda h ASP 104 Cb 0.83 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.42 1mda h ASP 104 CO 0.00 0.04 0.74 -0.63 -1.72 0.00 0.00 179.24 177.67 1mda s ILE 105 N -3.29 2.89 -0.68 0.35 1.01 -1.26 -4.95 121.20 115.28 1mda s ILE 105 Ca 0.02 0.71 -0.25 0.00 0.00 0.00 0.00 60.65 61.14 1mda s ILE 105 Cb 0.08 -3.46 0.05 0.00 0.01 0.00 0.00 42.46 39.14 1mda s ILE 105 CO 0.75 0.10 1.09 0.27 0.00 0.00 0.00 174.94 177.15 1mda s ILE 106 N 0.32 4.09 -0.92 2.92 -5.25 -1.26 -4.93 121.20 116.17 1mda s ILE 106 Ca 0.61 0.04 -0.24 0.00 -0.99 0.00 0.00 60.65 60.06 1mda s ILE 106 Cb -0.40 -4.76 0.02 0.00 2.95 0.00 0.00 42.46 40.27 1mda s ILE 106 CO 0.39 -1.57 1.58 0.26 -1.79 0.00 0.00 174.94 173.81 1mda s TRP 107 N 4.71 2.25 -0.03 1.37 0.23 -1.26 -4.69 118.94 121.52 1mda s TRP 107 Ca 0.28 -0.23 0.04 0.00 -2.03 0.00 0.00 56.10 54.16 1mda s TRP 107 Cb -0.13 -4.48 0.06 0.00 0.03 0.00 0.00 33.47 28.95 1mda s TRP 107 CO 0.13 -1.94 0.88 0.00 0.96 0.00 0.00 176.95 176.99 1mda s PHE 109 N -0.83 1.58 0.00 0.00 0.08 -1.26 -4.63 117.98 112.91 1mda s PHE 109 Ca 0.06 0.97 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1mda s PHE 109 Cb 0.06 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 1mda s PHE 109 CO 0.01 -2.06 0.00 0.41 -0.10 0.00 0.00 175.22 173.48 1mda n GLY 110 N 6.27 4.18 0.00 4.36 0.00 -1.26 -1.02 105.19 117.72 1mda n GLY 110 Ca 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1mda n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mda n GLY 111 N 0.00 -0.50 0.10 -0.02 0.00 -1.26 -3.75 105.19 99.76 1mda n GLY 111 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1mda n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mda n GLU 112 N 0.00 0.90 0.00 1.61 -0.58 -1.26 -4.87 120.64 116.44 1mda n GLU 112 Ca 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1mda n GLU 112 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1mda n GLU 112 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1mda n ASP 113 N -2.80 0.00 -4.53 1.62 8.00 -1.26 -5.12 116.55 112.47 1mda n ASP 113 Ca -0.33 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.79 1mda n ASP 113 Cb 1.06 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.10 1mda n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mda n GLY 114 N 0.00 0.04 0.36 0.44 0.00 -1.26 -4.77 105.19 100.00 1mda n GLY 114 Ca 0.00 0.82 0.06 0.00 0.00 0.00 0.00 46.02 46.91 1mda n GLY 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mda n MET 115 N 8.79 1.60 -3.14 1.61 2.81 -1.26 -4.61 117.12 122.91 1mda n MET 115 Ca 0.45 -0.87 -0.39 0.00 -1.81 0.00 0.00 57.70 55.09 1mda n MET 115 Cb 0.37 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.64 1mda n MET 115 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1mda s THR 116 N -1.45 5.08 -0.12 2.03 -1.32 -1.26 -4.93 115.64 113.67 1mda s THR 116 Ca 0.12 1.22 -0.29 0.00 -1.21 0.00 0.00 61.69 61.53 1mda s THR 116 Cb 0.10 -3.95 -0.02 0.00 -1.51 0.00 0.00 72.50 67.13 1mda s THR 116 CO 0.27 0.23 1.24 -0.47 -2.21 0.00 0.00 174.62 173.68 1mda s TYR 117 N 1.09 2.98 -0.03 9.09 5.04 -1.26 -2.54 117.35 131.72 1mda s TYR 117 Ca 0.31 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 56.02 1mda s TYR 117 Cb -0.16 -3.47 -0.02 0.00 0.35 0.00 0.00 41.96 38.65 1mda s TYR 117 CO 0.13 -1.56 -0.03 1.58 -1.34 0.00 0.00 175.55 174.33 1mda n HIS 118 N 6.06 0.00 -3.73 4.97 -0.00 -1.15 -2.60 115.22 118.77 1mda n HIS 118 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.74 1mda n HIS 118 Cb 0.45 -0.12 -0.06 0.00 -0.00 0.00 0.00 29.99 30.26 1mda n HIS 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mda s SER 120 N -2.37 2.00 0.24 0.00 0.01 -0.77 -1.04 113.70 111.77 1mda s SER 120 Ca -0.01 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1mda s SER 120 Cb 0.01 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 1mda s SER 120 CO -0.07 -0.11 0.46 -0.51 0.41 0.00 0.00 173.24 173.43 1mda s ILE 121 N 1.59 5.12 -0.43 1.44 2.07 0.11 -3.26 121.20 127.84 1mda s ILE 121 Ca 0.02 -0.16 0.10 0.00 -1.41 0.00 0.00 60.65 59.19 1mda s ILE 121 Cb -0.13 -3.73 0.40 0.00 0.13 0.00 0.00 42.46 39.13 1mda s ILE 121 CO -0.06 -0.23 0.96 -1.20 -1.91 0.00 0.00 174.94 172.51 1mda n SER 122 N -0.74 3.14 -4.77 4.50 7.64 -0.64 -3.23 113.62 119.52 1mda n SER 122 Ca -0.03 -3.33 -0.38 0.00 1.01 0.00 0.00 58.87 56.13 1mda n SER 122 Cb 0.54 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1mda n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mda s PRO 123 N -3.22 4.26 -0.16 1.43 0.04 -1.26 -4.84 135.00 131.25 1mda s PRO 123 Ca 0.41 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 1mda s PRO 123 Cb 0.38 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1mda s PRO 123 CO -0.10 -0.10 0.92 0.54 0.04 0.00 0.00 177.00 178.30 1mda s VAL 124 N -1.42 4.82 -0.22 -0.36 0.11 -1.26 -1.61 120.40 120.45 1mda s VAL 124 Ca 0.54 1.82 0.13 0.00 -2.93 0.00 0.00 61.98 61.54 1mda s VAL 124 Cb -0.28 -4.22 -0.18 0.00 -1.53 0.00 0.00 36.38 30.17 1mda s VAL 124 CO 0.36 -0.02 0.38 -1.54 -3.33 0.00 0.00 175.10 170.94 1mda n SER 125 N 5.36 1.52 0.00 3.54 3.41 -0.15 -4.92 113.62 122.38 1mda n SER 125 Ca 0.07 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1mda n SER 125 Cb 0.48 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 1mda n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mda n GLY 126 N 1.60 -1.19 0.28 5.00 0.00 -1.22 -5.00 105.19 104.66 1mda n GLY 126 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.14 1mda n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32