#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a s SER 2 N 0.00 7.21 0.19 1.61 1.04 -1.26 -5.04 113.70 117.45 1x5a s SER 2 Ca 0.00 1.65 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 1x5a s SER 2 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1x5a s SER 2 CO 0.00 -0.03 0.12 -0.55 0.98 0.00 0.00 173.24 173.76 1x5a s SER 3 N -1.64 0.18 -0.93 7.02 0.15 -1.26 -5.09 113.70 112.13 1x5a s SER 3 Ca 0.47 -1.35 -0.00 0.00 0.70 0.00 0.00 55.95 55.76 1x5a s SER 3 Cb -0.18 0.37 0.30 0.00 -1.71 0.00 0.00 66.02 64.80 1x5a s SER 3 CO 0.22 -0.82 1.36 0.61 1.20 0.00 0.00 173.24 175.81 1x5a n GLY 4 N -0.24 5.37 3.23 9.45 0.00 -1.26 -5.00 105.19 116.74 1x5a n GLY 4 Ca 0.01 -2.68 -0.20 0.00 0.00 0.00 0.00 46.02 43.14 1x5a n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5a s SER 5 N -2.02 2.10 -0.29 1.61 0.01 -1.26 -5.10 113.70 108.75 1x5a s SER 5 Ca 0.36 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 1x5a s SER 5 Cb 0.12 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 1x5a s SER 5 CO 0.01 -0.04 1.40 -0.55 0.41 0.00 0.00 173.24 174.47 1x5a s SER 6 N -1.99 6.56 0.00 2.44 0.15 -1.26 -4.86 113.70 114.74 1x5a s SER 6 Ca 0.04 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1x5a s SER 6 Cb -0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5a s SER 6 CO 0.03 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.92 1x5a n GLY 7 N 4.48 4.37 3.64 9.45 0.00 -1.26 -5.07 105.19 120.81 1x5a n GLY 7 Ca 0.16 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a s ALA 8 N -2.00 3.52 -0.63 4.61 0.00 -1.26 -4.94 121.76 121.06 1x5a s ALA 8 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1x5a s ALA 8 Cb 0.00 -3.67 0.35 0.00 0.00 0.00 0.00 23.12 19.80 1x5a s ALA 8 CO 0.00 -1.43 1.17 0.39 0.00 0.00 0.00 175.76 175.88 1x5a n GLU 9 N 6.86 3.58 -1.40 0.00 1.02 -1.26 -4.87 120.64 124.57 1x5a n GLU 9 Ca 0.13 -4.70 -0.26 0.00 -0.02 0.00 0.00 57.16 52.31 1x5a n GLU 9 Cb 0.46 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 1x5a n GLU 9 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x5a n SER 10 N -0.28 6.56 -4.85 1.62 7.64 -1.26 -4.96 113.62 118.08 1x5a n SER 10 Ca 0.36 -3.23 -0.31 0.00 1.01 0.00 0.00 58.87 56.70 1x5a n SER 10 Cb 0.42 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 1x5a n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x5a s LEU 11 N -2.26 3.70 -0.67 -3.43 2.96 -1.26 -4.84 118.68 112.88 1x5a s LEU 11 Ca 0.54 1.42 -0.04 0.00 -0.22 0.00 0.00 54.13 55.82 1x5a s LEU 11 Cb 0.37 -4.34 0.06 0.00 0.50 0.00 0.00 46.19 42.78 1x5a s LEU 11 CO -0.19 -0.52 2.71 -0.24 -1.32 0.00 0.00 176.35 176.79 1x5a n SER 12 N -1.48 6.85 -3.27 3.68 2.88 -1.26 -4.82 113.62 116.20 1x5a n SER 12 Ca 0.05 -3.16 -0.21 0.00 -1.33 0.00 0.00 58.87 54.22 1x5a n SER 12 Cb 0.54 -1.28 0.02 0.00 -0.75 0.00 0.00 64.21 62.74 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 13 N 1.17 -0.76 2.97 0.46 0.00 -1.26 -4.95 105.19 102.82 1x5a n GLY 13 Ca 0.52 1.02 -0.06 0.00 0.00 0.00 0.00 46.02 47.50 1x5a n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5a s LEU 14 N -3.12 -0.86 -0.30 0.99 1.43 -1.26 -4.43 118.68 111.13 1x5a s LEU 14 Ca 0.23 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1x5a s LEU 14 Cb -0.04 1.35 0.07 0.00 0.03 0.00 0.00 46.19 47.60 1x5a s LEU 14 CO 0.83 -0.31 -0.03 -0.44 0.23 0.00 0.00 176.35 176.63 1x5a s SER 15 N 2.61 4.67 -0.36 2.29 0.01 -1.26 -4.92 113.70 116.74 1x5a s SER 15 Ca 0.13 -1.61 -0.28 0.00 1.31 0.00 0.00 55.95 55.51 1x5a s SER 15 Cb -0.14 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1x5a s SER 15 CO -0.21 -0.27 2.08 -0.76 0.41 0.00 0.00 173.24 174.48 1x5a s LEU 16 N 1.08 3.43 -0.19 2.44 1.43 -1.26 -4.62 118.68 120.99 1x5a s LEU 16 Ca -0.02 1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 1x5a s LEU 16 Cb -0.20 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 1x5a s LEU 16 CO -0.05 -2.13 0.12 -0.75 0.23 0.00 0.00 176.35 173.77 1x5a s LYS 17 N 6.62 4.11 -0.75 1.70 2.20 -1.16 -5.00 119.74 127.47 1x5a s LYS 17 Ca 0.89 -0.24 -0.26 0.00 -0.36 0.00 0.00 55.97 56.00 1x5a s LYS 17 Cb -0.24 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1x5a s LYS 17 CO 0.31 0.32 1.43 -1.17 -0.36 0.00 0.00 175.35 175.88 1x5a s LEU 18 N 0.28 3.22 0.01 5.43 2.96 -1.26 -2.40 118.68 126.92 1x5a s LEU 18 Ca 0.08 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 1x5a s LEU 18 Cb -0.11 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.96 1x5a s LEU 18 CO -0.01 -1.94 0.91 0.58 -1.32 0.00 0.00 176.35 174.56 1x5a h VAL 19 N 6.32 0.00 -2.26 1.68 2.07 -1.72 -3.45 116.25 118.89 1x5a h VAL 19 Ca -0.21 -0.11 -0.21 0.00 0.82 0.00 0.00 66.70 66.99 1x5a h VAL 19 Cb 1.07 0.00 -0.32 0.00 -1.52 0.00 0.00 31.29 30.52 1x5a h VAL 19 CO 1.28 0.00 -0.52 -0.75 0.02 0.00 0.00 177.57 177.60 1x5a s LYS 20 N -3.42 0.27 0.45 1.57 2.20 -1.08 -5.03 119.74 114.70 1x5a s LYS 20 Ca -0.06 0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.93 1x5a s LYS 20 Cb 0.01 -0.59 -0.06 0.00 -1.51 0.00 0.00 37.83 35.68 1x5a s LYS 20 CO 0.18 -0.57 0.84 -1.59 -0.36 0.00 0.00 175.35 173.85 1x5a s LYS 21 N 2.47 3.79 0.12 4.03 -2.85 -1.26 -1.76 119.74 124.28 1x5a s LYS 21 Ca 0.08 0.59 -0.11 0.00 -1.00 0.00 0.00 55.97 55.53 1x5a s LYS 21 Cb -0.15 -2.31 0.01 0.00 -2.06 0.00 0.00 37.83 33.33 1x5a s LYS 21 CO -0.13 -0.14 0.29 -1.21 0.10 0.00 0.00 175.35 174.25 1x5a s GLU 22 N -4.06 1.01 0.37 1.78 2.02 0.14 -4.68 118.70 115.29 1x5a s GLU 22 Ca 0.53 -0.93 0.16 0.00 0.02 0.00 0.00 54.97 54.76 1x5a s GLU 22 Cb -0.10 0.40 0.73 0.00 0.10 0.00 0.00 34.13 35.26 1x5a s GLU 22 CO 0.34 -0.36 1.78 -1.00 0.02 0.00 0.00 175.26 176.04 1x5a h PRO 23 N 2.56 0.00 0.00 0.39 0.13 -1.89 -3.02 132.00 130.16 1x5a h PRO 23 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1x5a h PRO 23 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x5a h PRO 23 CO 0.51 0.39 -0.26 0.54 -0.23 0.00 0.00 178.00 178.94 1x5a n ARG 24 N -3.78 0.61 -3.58 0.86 1.74 -1.26 -1.03 116.66 110.21 1x5a n ARG 24 Ca -0.01 -1.72 -0.09 0.00 -0.77 0.00 0.00 57.85 55.26 1x5a n ARG 24 Cb 0.46 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 30.92 1x5a n ARG 24 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x5a s GLN 25 N -1.32 1.27 -0.23 5.56 0.74 -1.22 -3.13 119.66 121.32 1x5a s GLN 25 Ca 0.15 -0.57 -0.10 0.00 0.05 0.00 0.00 55.36 54.89 1x5a s GLN 25 Cb 0.13 0.52 0.09 0.00 1.10 0.00 0.00 33.01 34.84 1x5a s GLN 25 CO 0.01 -0.57 0.53 -0.51 -0.55 0.00 0.00 175.29 174.20 1x5a s LEU 26 N -2.75 -0.68 -0.11 3.68 1.43 -0.62 -0.68 118.68 118.94 1x5a s LEU 26 Ca 0.06 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1x5a s LEU 26 Cb -0.02 1.78 -0.02 0.00 0.03 0.00 0.00 46.19 47.96 1x5a s LEU 26 CO -0.05 -0.22 -0.13 -0.70 0.23 0.00 0.00 176.35 175.47 1x5a s GLU 27 N 2.17 3.13 0.19 1.70 2.12 -0.72 -1.96 118.70 125.32 1x5a s GLU 27 Ca -0.06 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.61 1x5a s GLU 27 Cb -0.10 -2.56 -0.05 0.00 0.26 0.00 0.00 34.13 31.69 1x5a s GLU 27 CO -0.16 0.33 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.37 1x5a s LEU 28 N 0.04 2.22 -0.18 2.70 1.43 -1.20 -1.93 118.68 121.75 1x5a s LEU 28 Ca -0.05 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.80 1x5a s LEU 28 Cb -0.14 -0.17 0.07 0.00 0.03 0.00 0.00 46.19 45.97 1x5a s LEU 28 CO 0.04 -0.51 0.44 0.28 0.23 0.00 0.00 176.35 176.83 1x5a s THR 29 N -3.52 -0.11 -0.18 5.49 -1.32 -1.01 -3.56 115.64 111.43 1x5a s THR 29 Ca 0.24 0.09 -0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1x5a s THR 29 Cb 0.05 -0.66 0.05 0.00 -1.51 0.00 0.00 72.50 70.43 1x5a s THR 29 CO 0.05 0.04 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.79 1x5a s TRP 30 N 1.59 1.79 -0.10 9.09 -2.14 -0.91 -2.96 118.94 125.29 1x5a s TRP 30 Ca -0.09 -1.20 0.01 0.00 2.66 0.00 0.00 56.10 57.48 1x5a s TRP 30 Cb -0.09 -1.35 0.02 0.00 -3.10 0.00 0.00 33.47 28.96 1x5a s TRP 30 CO -0.13 -0.65 -0.11 0.00 -2.66 0.00 0.00 176.95 173.40 1x5a s ALA 31 N 1.60 1.37 -0.34 2.67 0.00 -1.26 -4.75 121.76 121.05 1x5a s ALA 31 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1x5a s ALA 31 Cb -0.16 -0.78 0.15 0.00 0.00 0.00 0.00 23.12 22.33 1x5a s ALA 31 CO -0.07 -0.17 0.37 0.20 0.00 0.00 0.00 175.76 176.08 1x5a s GLY 32 N 1.21 -0.14 -0.77 0.00 0.00 -1.26 -4.87 107.32 101.49 1x5a s GLY 32 Ca -0.04 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1x5a s GLY 32 CO -0.03 2.77 1.04 1.44 0.00 0.00 0.00 173.10 178.32 1x5a n SER 33 N 4.64 4.82 0.22 1.64 7.64 -1.26 -4.91 113.62 126.40 1x5a n SER 33 Ca 0.07 -3.49 -0.17 0.00 1.01 0.00 0.00 58.87 56.28 1x5a n SER 33 Cb 0.46 -0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 62.72 1x5a n SER 33 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x5a h ARG 34 N 4.34 -0.86 0.00 1.43 2.47 -1.96 -3.44 114.38 116.37 1x5a h ARG 34 Ca 0.21 0.06 -0.31 0.00 -1.26 0.00 0.00 59.98 58.68 1x5a h ARG 34 Cb 0.60 0.20 0.15 0.00 -1.65 0.00 0.00 29.97 29.27 1x5a h ARG 34 CO 0.99 -0.58 0.09 -0.35 0.56 0.00 0.00 179.97 180.69 1x5a n PRO 35 N -5.47 -2.69 -1.43 0.04 -0.04 -1.26 -4.95 135.00 119.20 1x5a n PRO 35 Ca -0.10 -1.36 -0.35 0.00 -0.04 0.00 0.00 63.50 61.65 1x5a n PRO 35 Cb 0.44 -1.28 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1x5a n PRO 35 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5a n ARG 36 N -4.11 2.75 -5.06 0.54 1.85 -1.26 -4.93 116.66 106.43 1x5a n ARG 36 Ca 0.12 -3.37 -0.32 0.00 -1.00 0.00 0.00 57.85 53.28 1x5a n ARG 36 Cb 0.46 -2.29 -0.16 0.00 -1.05 0.00 0.00 32.46 29.42 1x5a n ARG 36 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1x5a s ASN 37 N -1.87 3.40 0.31 2.89 2.47 -1.26 -5.01 114.94 115.86 1x5a s ASN 37 Ca 0.63 -0.48 0.09 0.00 0.42 0.00 0.00 52.86 53.52 1x5a s ASN 37 Cb 0.50 -1.48 0.49 0.00 -1.45 0.00 0.00 41.25 39.31 1x5a s ASN 37 CO -0.05 0.16 1.70 1.55 -3.72 0.00 0.00 177.10 176.74 1x5a h PRO 38 N 6.72 0.09 0.00 0.43 0.13 -2.00 -3.49 132.00 133.87 1x5a h PRO 38 Ca -0.21 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1x5a h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x5a h PRO 38 CO 0.50 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 1x5a n GLY 39 N -0.09 0.31 0.00 1.56 0.00 -1.26 -5.09 105.19 100.61 1x5a n GLY 39 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1x5a n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5a n GLY 40 N 0.00 -0.51 1.80 -0.02 0.00 -1.26 -4.91 105.19 100.28 1x5a n GLY 40 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1x5a n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5a n ASN 41 N 0.00 4.81 -3.88 1.61 6.94 -1.26 -5.00 115.26 118.48 1x5a n ASN 41 Ca 0.00 -3.17 -0.30 0.00 -0.02 0.00 0.00 54.58 51.09 1x5a n ASN 41 Cb 0.00 -0.70 0.26 0.00 -2.36 0.00 0.00 39.78 36.98 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1x5a s LEU 42 N -2.95 -0.02 0.31 -4.53 1.43 -1.26 -5.08 118.68 106.59 1x5a s LEU 42 Ca 0.53 0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1x5a s LEU 42 Cb 0.42 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1x5a s LEU 42 CO 0.13 -4.63 0.38 -0.94 0.23 0.00 0.00 176.35 171.51 1x5a s SER 43 N -3.21 0.95 -0.01 2.29 1.04 -1.26 -4.96 113.70 108.54 1x5a s SER 43 Ca 0.69 -1.51 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1x5a s SER 43 Cb -0.16 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1x5a s SER 43 CO 0.59 -1.16 -0.03 -0.31 0.98 0.00 0.00 173.24 173.31 1x5a s TYR 44 N -3.38 0.36 -0.26 5.02 2.02 -0.73 -1.64 117.35 118.75 1x5a s TYR 44 Ca 0.34 -0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 1x5a s TYR 44 Cb 0.01 -0.30 -0.05 0.00 -0.40 0.00 0.00 41.96 41.23 1x5a s TYR 44 CO 0.20 -0.05 0.22 -2.00 -1.57 0.00 0.00 175.55 172.36 1x5a s GLU 45 N 0.27 4.02 -0.16 -0.62 2.56 -0.03 -1.44 118.70 123.29 1x5a s GLU 45 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.97 54.70 1x5a s GLU 45 Cb -0.06 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.44 1x5a s GLU 45 CO -0.01 -0.10 -0.04 -1.17 -0.56 0.00 0.00 175.26 173.38 1x5a s LEU 46 N 1.54 3.23 -0.23 2.70 1.98 -0.55 -2.24 118.68 125.10 1x5a s LEU 46 Ca 0.09 -0.14 -0.01 0.00 -2.89 0.00 0.00 54.13 51.18 1x5a s LEU 46 Cb -0.15 -1.78 0.07 0.00 0.66 0.00 0.00 46.19 44.99 1x5a s LEU 46 CO 0.08 0.16 0.01 -2.28 -1.89 0.00 0.00 176.35 172.43 1x5a s HIS 47 N 0.43 1.71 -0.14 5.38 5.65 -0.72 0.06 115.29 127.65 1x5a s HIS 47 Ca -0.04 -1.38 -0.05 0.00 0.25 0.00 0.00 55.06 53.84 1x5a s HIS 47 Cb -0.14 -1.38 -0.04 0.00 -1.18 0.00 0.00 32.58 29.84 1x5a s HIS 47 CO 0.03 -0.72 0.05 0.08 -0.65 0.00 0.00 174.74 173.53 1x5a s VAL 48 N 1.63 4.74 -0.12 0.89 1.01 0.09 -2.52 120.40 126.11 1x5a s VAL 48 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1x5a s VAL 48 Cb -0.18 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1x5a s VAL 48 CO -0.10 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.58 1x5a s LEU 49 N -0.35 1.98 0.42 3.92 1.02 -0.03 -0.72 118.68 124.93 1x5a s LEU 49 Ca 0.09 -0.54 0.06 0.00 0.02 0.00 0.00 54.13 53.75 1x5a s LEU 49 Cb -0.12 -1.32 0.01 0.00 0.02 0.00 0.00 46.19 44.78 1x5a s LEU 49 CO 0.02 0.07 0.59 0.21 0.02 0.00 0.00 176.35 177.26 1x5a s ASN 50 N 0.79 5.69 0.00 2.29 3.84 0.27 -1.12 114.94 126.70 1x5a s ASN 50 Ca -0.09 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 52.76 1x5a s ASN 50 Cb -0.16 -0.94 0.00 0.00 -0.55 0.00 0.00 41.25 39.61 1x5a s ASN 50 CO -0.00 -0.73 0.58 0.00 -2.79 0.00 0.00 177.10 174.16 1x5a n GLN 51 N -1.90 0.00 -1.22 0.43 6.02 -1.26 -2.05 117.38 117.40 1x5a n GLN 51 Ca 0.05 0.58 -0.16 0.00 -0.01 0.00 0.00 57.00 57.46 1x5a n GLN 51 Cb 0.59 -0.97 0.14 0.00 1.02 0.00 0.00 30.24 31.02 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1x5a n ASP 52 N -1.88 4.08 -3.88 1.08 8.00 -1.26 -4.99 116.55 117.70 1x5a n ASP 52 Ca 0.00 -3.77 -0.09 0.00 0.71 0.00 0.00 54.79 51.63 1x5a n ASP 52 Cb 0.00 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.39 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x5a s GLU 53 N -3.44 1.16 -0.23 -1.24 0.41 -0.87 -5.17 118.70 109.31 1x5a s GLU 53 Ca 0.51 -1.05 -0.13 0.00 -0.41 0.00 0.00 54.97 53.89 1x5a s GLU 53 Cb 0.43 0.41 0.07 0.00 -1.78 0.00 0.00 34.13 33.26 1x5a s GLU 53 CO 0.01 -0.44 0.56 -2.00 -0.49 0.00 0.00 175.26 172.91 1x5a s GLU 54 N -3.92 0.57 -0.00 1.61 2.12 -1.26 0.94 118.70 118.76 1x5a s GLU 54 Ca 0.13 1.01 -0.08 0.00 0.36 0.00 0.00 54.97 56.39 1x5a s GLU 54 Cb 0.02 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1x5a s GLU 54 CO -0.03 -0.15 0.15 1.67 -0.54 0.00 0.00 175.26 176.36 1x5a s TRP 55 N 1.44 0.01 0.01 5.30 -2.14 0.10 -4.97 118.94 118.69 1x5a s TRP 55 Ca -0.09 -0.06 0.05 0.00 2.66 0.00 0.00 56.10 58.66 1x5a s TRP 55 Cb -0.06 -0.03 -0.02 0.00 -3.10 0.00 0.00 33.47 30.26 1x5a s TRP 55 CO -0.15 -0.28 -0.16 -3.38 -2.66 0.00 0.00 176.95 170.32 1x5a s HIS 56 N -1.26 1.40 -0.07 1.66 -3.43 -1.26 -0.73 115.29 111.60 1x5a s HIS 56 Ca -0.13 -0.30 -0.05 0.00 -0.80 0.00 0.00 55.06 53.78 1x5a s HIS 56 Cb -0.07 -0.87 0.03 0.00 -1.43 0.00 0.00 32.58 30.23 1x5a s HIS 56 CO 0.02 0.01 0.17 1.14 -2.00 0.00 0.00 174.74 174.07 1x5a s GLN 57 N -0.66 0.16 -0.04 -0.38 -2.07 0.11 -4.99 119.66 111.79 1x5a s GLN 57 Ca 0.05 0.31 -0.20 0.00 -1.82 0.00 0.00 55.36 53.70 1x5a s GLN 57 Cb -0.07 -0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.79 1x5a s GLN 57 CO 0.00 -0.08 0.58 1.41 -1.32 0.00 0.00 175.29 175.87 1x5a s MET 58 N 0.56 4.33 -0.02 9.60 1.75 -1.26 -1.49 119.30 132.77 1x5a s MET 58 Ca -0.04 0.67 0.05 0.00 -1.25 0.00 0.00 55.69 55.13 1x5a s MET 58 Cb -0.05 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.23 1x5a s MET 58 CO -0.03 0.27 -0.17 0.14 -0.65 0.00 0.00 175.02 174.58 1x5a s VAL 59 N 0.16 1.37 -0.22 10.11 -7.23 -0.52 -4.94 120.40 119.13 1x5a s VAL 59 Ca 0.31 -0.73 0.19 0.00 -1.81 0.00 0.00 61.98 59.93 1x5a s VAL 59 Cb -0.17 -1.15 0.06 0.00 0.56 0.00 0.00 36.38 35.67 1x5a s VAL 59 CO 0.15 0.39 1.25 -0.07 -0.31 0.00 0.00 175.10 176.51 1x5a h LEU 60 N 5.86 0.00-10.12 1.32 3.38 -1.91 -1.94 115.31 111.91 1x5a h LEU 60 Ca -0.36 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.10 1x5a h LEU 60 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1x5a h LEU 60 CO 0.48 0.31 -0.07 -1.83 0.09 0.00 0.00 178.44 177.42 1x5a s GLU 61 N -3.09 3.67 0.00 1.13 1.03 -1.26 -4.70 118.70 115.49 1x5a s GLU 61 Ca 0.02 0.12 0.11 0.00 0.03 0.00 0.00 54.97 55.25 1x5a s GLU 61 Cb 0.08 -2.58 0.66 0.00 -0.80 0.00 0.00 34.13 31.48 1x5a s GLU 61 CO 0.75 0.15 1.09 -0.35 -1.33 0.00 0.00 175.26 175.57 1x5a n PRO 62 N -1.04 0.48 -4.50 -4.83 -0.04 -1.26 -4.74 135.00 119.08 1x5a n PRO 62 Ca -0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1x5a n PRO 62 Cb 0.54 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1x5a n PRO 62 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1x5a s ARG 63 N -2.00 1.87 -0.12 0.54 1.70 -1.26 -2.15 118.95 117.54 1x5a s ARG 63 Ca 0.17 -2.13 -0.24 0.00 -0.47 0.00 0.00 55.73 53.06 1x5a s ARG 63 Cb 0.08 -0.62 0.06 0.00 -0.57 0.00 0.00 34.95 33.89 1x5a s ARG 63 CO 0.13 -0.44 0.59 0.54 -1.08 0.00 0.00 175.30 175.04 1x5a s VAL 64 N -3.25 0.01 -0.29 4.99 0.11 -1.23 -4.90 120.40 115.84 1x5a s VAL 64 Ca 0.26 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 1x5a s VAL 64 Cb 0.04 -0.87 0.07 0.00 -1.53 0.00 0.00 36.38 34.09 1x5a s VAL 64 CO 0.15 -0.05 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.61 1x5a s LEU 65 N -0.59 3.94 -0.06 2.54 1.98 -1.26 -3.28 118.68 121.95 1x5a s LEU 65 Ca -0.07 -1.62 -0.15 0.00 -2.89 0.00 0.00 54.13 49.40 1x5a s LEU 65 Cb -0.03 -1.60 -0.05 0.00 0.66 0.00 0.00 46.19 45.17 1x5a s LEU 65 CO 0.05 -0.27 0.38 -0.76 -1.89 0.00 0.00 176.35 173.87 1x5a s LEU 66 N 1.06 4.38 0.32 -0.68 1.43 -0.83 -4.99 118.68 119.37 1x5a s LEU 66 Ca -0.02 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 1x5a s LEU 66 Cb -0.20 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1x5a s LEU 66 CO -0.05 0.22 0.18 0.42 0.23 0.00 0.00 176.35 177.35 1x5a s THR 67 N -0.42 0.27 -1.11 5.49 -4.23 -1.26 -1.59 115.64 112.78 1x5a s THR 67 Ca 0.22 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1x5a s THR 67 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1x5a s THR 67 CO 0.10 0.00 0.95 0.29 -0.54 0.00 0.00 174.62 175.42 1x5a n LYS 68 N -0.62 -6.32 -3.72 3.99 5.02 -1.18 -4.96 118.16 110.37 1x5a n LYS 68 Ca 0.02 0.74 -0.25 0.00 -2.02 0.00 0.00 58.31 56.79 1x5a n LYS 68 Cb 0.64 -5.47 0.01 0.00 -0.02 0.00 0.00 35.03 30.20 1x5a n LYS 68 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x5a s LEU 69 N -6.12 2.74 -0.09 -0.35 1.43 -1.25 -5.06 118.68 109.99 1x5a s LEU 69 Ca 0.21 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1x5a s LEU 69 Cb -0.09 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1x5a s LEU 69 CO 0.64 -1.19 -0.01 -1.10 0.23 0.00 0.00 176.35 174.92 1x5a s GLN 70 N -4.38 2.97 0.40 1.70 -1.52 -1.26 -4.55 119.66 113.03 1x5a s GLN 70 Ca 0.39 -0.43 -0.25 0.00 -1.95 0.00 0.00 55.36 53.12 1x5a s GLN 70 Cb -0.03 -2.77 -0.08 0.00 -0.22 0.00 0.00 33.01 29.91 1x5a s GLN 70 CO 0.25 0.68 1.19 -1.25 -0.25 0.00 0.00 175.29 175.91 1x5a s PRO 71 N -0.83 4.04 -1.26 2.91 0.04 -0.20 -3.58 135.00 136.13 1x5a s PRO 71 Ca 0.13 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 1x5a s PRO 71 Cb -0.11 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1x5a s PRO 71 CO 0.02 -0.34 0.91 -3.47 0.04 0.00 0.00 177.00 174.16 1x5a n ASP 72 N 0.09 -2.15 -3.94 6.66 2.03 -1.07 -4.89 116.55 113.29 1x5a n ASP 72 Ca 0.04 -0.69 -0.14 0.00 0.52 0.00 0.00 54.79 54.53 1x5a n ASP 72 Cb 0.46 -4.73 -0.14 0.00 -0.72 0.00 0.00 41.12 35.99 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5a s THR 73 N -3.46 0.27 0.05 5.18 2.01 -1.23 -4.93 115.64 113.53 1x5a s THR 73 Ca 0.07 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1x5a s THR 73 Cb -0.03 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1x5a s THR 73 CO 0.76 0.01 0.96 -0.89 -0.69 0.00 0.00 174.62 174.77 1x5a s THR 74 N -0.25 4.70 -0.11 -0.82 2.01 -1.26 -2.23 115.64 117.68 1x5a s THR 74 Ca -0.01 2.04 -0.00 0.00 0.31 0.00 0.00 61.69 64.04 1x5a s THR 74 Cb -0.02 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1x5a s THR 74 CO -0.00 0.24 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.78 1x5a s TYR 75 N 0.52 1.47 0.10 4.92 2.02 0.18 -4.07 117.35 122.48 1x5a s TYR 75 Ca 0.49 -0.70 -0.24 0.00 -0.37 0.00 0.00 57.07 56.25 1x5a s TYR 75 Cb -0.22 -1.20 -0.07 0.00 -0.40 0.00 0.00 41.96 40.07 1x5a s TYR 75 CO 0.29 -0.48 0.74 0.42 -1.57 0.00 0.00 175.55 174.95 1x5a s ILE 76 N 1.55 4.56 0.00 2.71 -1.09 -0.27 -3.14 121.20 125.53 1x5a s ILE 76 Ca 0.02 1.59 0.01 0.00 -2.23 0.00 0.00 60.65 60.05 1x5a s ILE 76 Cb -0.13 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1x5a s ILE 76 CO -0.06 0.47 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.38 1x5a s VAL 77 N -0.73 0.33 -0.18 2.92 1.01 -1.20 -0.85 120.40 121.70 1x5a s VAL 77 Ca 0.36 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1x5a s VAL 77 Cb -0.22 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 35.93 1x5a s VAL 77 CO 0.24 0.01 0.40 0.00 0.00 0.00 0.00 175.10 175.74 1x5a s ARG 78 N -0.33 0.33 0.16 2.72 1.70 -1.05 -3.38 118.95 119.10 1x5a s ARG 78 Ca -0.01 0.91 0.11 0.00 -0.47 0.00 0.00 55.73 56.27 1x5a s ARG 78 Cb -0.03 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1x5a s ARG 78 CO -0.00 -0.22 -0.22 0.54 -1.08 0.00 0.00 175.30 174.33 1x5a s VAL 79 N 2.10 2.53 -0.10 4.99 0.11 -1.26 -1.76 120.40 127.00 1x5a s VAL 79 Ca -0.05 -1.82 -0.19 0.00 -2.93 0.00 0.00 61.98 56.99 1x5a s VAL 79 Cb -0.11 -2.19 0.04 0.00 -1.53 0.00 0.00 36.38 32.60 1x5a s VAL 79 CO -0.12 -0.02 0.47 0.00 -3.33 0.00 0.00 175.10 172.09 1x5a s ARG 80 N -2.44 0.71 -0.42 1.54 1.70 -0.95 -3.09 118.95 116.00 1x5a s ARG 80 Ca 0.19 0.31 -0.29 0.00 -0.47 0.00 0.00 55.73 55.47 1x5a s ARG 80 Cb -0.09 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1x5a s ARG 80 CO 0.10 -0.16 1.29 0.99 -1.08 0.00 0.00 175.30 176.43 1x5a s THR 81 N -0.57 4.06 0.24 4.99 2.01 -1.26 -0.85 115.64 124.25 1x5a s THR 81 Ca -0.07 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 1x5a s THR 81 Cb -0.03 -4.35 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 1x5a s THR 81 CO 0.04 -0.81 1.14 -0.76 -0.69 0.00 0.00 174.62 173.53 1x5a s LEU 82 N 4.90 4.51 0.07 4.42 1.43 -0.65 -2.75 118.68 130.61 1x5a s LEU 82 Ca 0.55 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.93 1x5a s LEU 82 Cb -0.11 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1x5a s LEU 82 CO 0.31 -0.24 -0.10 0.42 0.23 0.00 0.00 176.35 176.97 1x5a s THR 83 N -0.67 0.81 0.22 5.49 -4.23 -1.26 -4.12 115.64 111.88 1x5a s THR 83 Ca 0.48 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1x5a s THR 83 Cb -0.32 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 1x5a s THR 83 CO 0.39 -0.44 1.59 1.55 -0.54 0.00 0.00 174.62 177.16 1x5a h PRO 84 N 4.03 0.52 -3.49 3.99 0.13 -2.01 -3.37 132.00 131.80 1x5a h PRO 84 Ca -0.37 -0.27 -0.63 0.00 -0.87 0.00 0.00 66.00 63.86 1x5a h PRO 84 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1x5a h PRO 84 CO 0.46 0.86 -0.70 -0.48 -0.23 0.00 0.00 178.00 177.91 1x5a s LEU 85 N -8.44 3.55 0.00 1.56 0.05 -1.26 -4.91 118.68 109.23 1x5a s LEU 85 Ca -0.07 -2.55 0.00 0.00 0.05 0.00 0.00 54.13 51.56 1x5a s LEU 85 Cb 0.12 -1.32 0.00 0.00 -2.05 0.00 0.00 46.19 42.94 1x5a s LEU 85 CO 0.82 -0.29 0.00 0.61 -0.55 0.00 0.00 176.35 176.94 1x5a n GLY 86 N 3.68 -1.31 3.77 -3.48 0.00 -1.26 -5.04 105.19 101.56 1x5a n GLY 86 Ca 0.05 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1x5a n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 87 N -0.64 3.42 0.90 1.61 0.04 -1.26 -4.70 135.00 134.37 1x5a s PRO 87 Ca 0.00 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1x5a s PRO 87 Cb 0.00 -2.07 0.13 0.00 0.04 0.00 0.00 34.50 32.61 1x5a s PRO 87 CO 0.00 -0.80 1.09 0.20 0.04 0.00 0.00 177.00 177.53 1x5a s GLY 88 N -1.71 1.62 0.72 0.56 0.00 -1.11 -4.94 107.32 102.47 1x5a s GLY 88 Ca 0.71 -0.00 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 1x5a s GLY 88 CO 0.28 0.49 1.10 2.56 0.00 0.00 0.00 173.10 177.52 1x5a s PRO 89 N -4.89 2.49 -0.26 2.90 0.04 -1.26 -4.79 135.00 129.24 1x5a s PRO 89 Ca 0.64 1.26 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 1x5a s PRO 89 Cb -0.19 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1x5a s PRO 89 CO 0.57 -1.47 0.80 -0.06 0.04 0.00 0.00 177.00 176.88 1x5a s PHE 90 N -2.66 3.28 0.61 0.56 0.08 -1.26 -4.67 117.98 113.92 1x5a s PHE 90 Ca 0.64 1.02 -0.15 0.00 0.12 0.00 0.00 56.93 58.55 1x5a s PHE 90 Cb -0.19 -3.08 -0.13 0.00 -0.57 0.00 0.00 43.02 39.06 1x5a s PHE 90 CO 0.50 -0.44 -0.34 -1.13 -0.10 0.00 0.00 175.22 173.71 1x5a n SER 91 N 6.03 -4.02 -4.74 1.36 3.41 -1.18 -4.82 113.62 109.66 1x5a n SER 91 Ca 0.04 0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 58.66 1x5a n SER 91 Cb 0.48 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1x5a n SER 91 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5a s PRO 92 N -1.22 4.41 -0.88 4.33 0.04 -1.26 -4.81 135.00 135.61 1x5a s PRO 92 Ca 0.44 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 1x5a s PRO 92 Cb -0.33 -3.18 -0.20 0.00 0.04 0.00 0.00 34.50 30.83 1x5a s PRO 92 CO 0.64 -0.20 2.34 -0.40 0.04 0.00 0.00 177.00 179.42 1x5a n ASP 93 N 2.26 0.15 -4.47 6.66 5.68 -1.26 -4.81 116.55 120.75 1x5a n ASP 93 Ca 0.05 0.12 -0.43 0.00 -0.50 0.00 0.00 54.79 54.02 1x5a n ASP 93 Cb 0.43 -0.79 -0.05 0.00 -1.14 0.00 0.00 41.12 39.57 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1x5a s HIS 94 N 7.39 2.91 0.26 2.11 3.76 -1.22 -5.01 115.29 125.50 1x5a s HIS 94 Ca 1.19 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 55.46 1x5a s HIS 94 Cb -1.08 -3.84 -0.10 0.00 1.11 0.00 0.00 32.58 28.67 1x5a s HIS 94 CO 0.44 -1.22 1.33 -1.21 -0.85 0.00 0.00 174.74 173.23 1x5a s GLU 95 N 3.29 4.36 0.02 1.40 8.01 -1.26 -3.24 118.70 131.27 1x5a s GLU 95 Ca 0.22 2.17 -0.07 0.00 0.01 0.00 0.00 54.97 57.30 1x5a s GLU 95 Cb -0.17 -3.13 -0.00 0.00 -4.31 0.00 0.00 34.13 26.52 1x5a s GLU 95 CO 0.14 -0.25 0.12 -0.06 0.01 0.00 0.00 175.26 175.22 1x5a s PHE 96 N -0.43 0.12 0.01 1.61 0.08 -1.19 -5.02 117.98 113.16 1x5a s PHE 96 Ca 0.54 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.29 1x5a s PHE 96 Cb -0.39 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.96 1x5a s PHE 96 CO 0.45 -0.34 -0.11 0.50 -0.10 0.00 0.00 175.22 175.62 1x5a s ARG 97 N -2.10 0.86 0.61 0.44 3.52 -1.26 -0.65 118.95 120.37 1x5a s ARG 97 Ca -0.09 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 54.94 1x5a s ARG 97 Cb -0.04 -0.83 -0.00 0.00 -1.56 0.00 0.00 34.95 32.52 1x5a s ARG 97 CO -0.02 0.22 0.95 0.95 -0.81 0.00 0.00 175.30 176.59 1x5a s THR 98 N -0.45 3.96 0.55 4.11 -4.23 -0.95 -4.83 115.64 113.80 1x5a s THR 98 Ca 0.03 0.28 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 1x5a s THR 98 Cb -0.05 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 1x5a s THR 98 CO 0.00 -0.66 1.19 -0.44 -0.54 0.00 0.00 174.62 174.17 1x5a s SER 99 N -4.27 5.52 0.49 3.99 0.01 -1.14 -4.04 113.70 114.25 1x5a s SER 99 Ca 0.54 2.34 -0.22 0.00 1.31 0.00 0.00 55.95 59.93 1x5a s SER 99 Cb -0.11 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 1x5a s SER 99 CO 0.48 -1.37 1.15 -2.16 0.41 0.00 0.00 173.24 171.75 1x5a s PRO 100 N -3.17 3.61 1.21 12.44 0.04 -1.26 -2.60 135.00 145.25 1x5a s PRO 100 Ca 0.73 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 63.29 1x5a s PRO 100 Cb -0.29 -2.25 0.29 0.00 0.04 0.00 0.00 34.50 32.28 1x5a s PRO 100 CO 0.33 -0.66 1.11 -1.25 0.04 0.00 0.00 177.00 176.56 1x5a s PRO 101 N -2.92 -1.25 -0.12 0.56 0.04 -1.26 -4.86 135.00 125.19 1x5a s PRO 101 Ca 0.67 -0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1x5a s PRO 101 Cb -0.27 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1x5a s PRO 101 CO 0.32 -3.73 2.10 0.43 0.04 0.00 0.00 177.00 176.16 1x5a n SER 102 N -4.77 3.53 -4.18 6.66 7.64 -1.26 -4.93 113.62 116.31 1x5a n SER 102 Ca 0.13 0.55 -0.40 0.00 1.01 0.00 0.00 58.87 60.17 1x5a n SER 102 Cb 0.59 -1.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.21 1x5a n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5a s GLY 103 N 6.41 2.31 0.21 0.23 0.00 -1.26 -4.92 107.32 110.30 1x5a s GLY 103 Ca 0.96 -2.94 -0.03 0.00 0.00 0.00 0.00 44.72 42.71 1x5a s GLY 103 CO 0.41 1.12 1.56 -0.56 0.00 0.00 0.00 173.10 175.63 1x5a h PRO 104 N 7.76 0.61 -4.07 2.90 0.13 -2.05 -3.46 132.00 133.83 1x5a h PRO 104 Ca -0.08 -0.32 -0.22 0.00 -0.87 0.00 0.00 66.00 64.51 1x5a h PRO 104 Cb 1.02 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1x5a h PRO 104 CO 0.77 0.92 -0.29 0.43 -0.23 0.00 0.00 178.00 179.60 1x5a n SER 105 N -4.02 -3.52 -4.54 1.44 7.64 -1.26 -4.85 113.62 104.50 1x5a n SER 105 Ca -0.02 0.20 -0.41 0.00 1.01 0.00 0.00 58.87 59.65 1x5a n SER 105 Cb 0.53 -3.01 -0.03 0.00 -1.01 0.00 0.00 64.21 60.69 1x5a n SER 105 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5a s SER 106 N -2.06 6.17 0.00 6.43 1.04 -1.26 -5.36 113.70 118.65 1x5a s SER 106 Ca 0.02 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1x5a s SER 106 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1x5a s SER 106 CO 0.03 -1.80 0.00 0.61 0.98 0.00 0.00 173.24 173.06