#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a h SER 2 N 0.00 -0.06 -6.83 1.61 0.02 -2.08 -3.47 113.55 102.74 1x5a h SER 2 Ca 0.00 -0.57 -0.57 0.00 -0.84 0.00 0.00 61.79 59.82 1x5a h SER 2 Cb 0.00 0.02 -0.22 0.00 0.14 0.00 0.00 62.40 62.33 1x5a h SER 2 CO 0.00 0.59 -0.87 -1.54 -1.14 0.00 0.00 176.83 173.87 1x5a n SER 3 N -4.81 -2.27 -4.70 3.07 3.41 -1.26 -4.89 113.62 102.17 1x5a n SER 3 Ca -0.08 -1.08 -0.31 0.00 -0.26 0.00 0.00 58.87 57.14 1x5a n SER 3 Cb 0.31 -2.47 0.14 0.00 -0.26 0.00 0.00 64.21 61.93 1x5a n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5a s GLY 4 N -3.52 1.66 -0.10 5.00 0.00 -1.26 -5.01 107.32 104.10 1x5a s GLY 4 Ca 0.60 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 45.61 1x5a s GLY 4 CO 0.95 0.75 -0.10 1.76 0.00 0.00 0.00 173.10 176.47 1x5a h SER 5 N -1.61 0.00 -3.29 1.64 0.02 -2.06 -3.47 113.55 104.78 1x5a h SER 5 Ca -0.45 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.94 1x5a h SER 5 Cb 1.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1x5a h SER 5 CO 0.48 0.53 -0.18 -0.55 -1.14 0.00 0.00 176.83 175.97 1x5a s SER 6 N -5.19 6.63 0.00 3.07 0.15 -1.26 -5.01 113.70 112.09 1x5a s SER 6 Ca -0.08 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1x5a s SER 6 Cb 0.01 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1x5a s SER 6 CO 0.12 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1x5a n GLY 7 N 0.27 3.89 3.09 9.45 0.00 -1.26 -5.10 105.19 115.52 1x5a n GLY 7 Ca -0.03 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.84 2.23 0.03 4.61 0.00 -1.26 -5.10 121.76 121.43 1x5a s ALA 8 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 1x5a s ALA 8 Cb 0.00 -1.20 0.09 0.00 0.00 0.00 0.00 23.12 22.02 1x5a s ALA 8 CO 0.00 -0.47 0.96 -2.00 0.00 0.00 0.00 175.76 174.26 1x5a s GLU 9 N 1.32 0.87 0.00 0.00 2.56 -1.26 -5.07 118.70 117.12 1x5a s GLU 9 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.97 54.61 1x5a s GLU 9 Cb -0.14 0.35 0.00 0.00 2.00 0.00 0.00 34.13 36.34 1x5a s GLU 9 CO -0.11 -0.39 0.00 -1.13 -0.56 0.00 0.00 175.26 173.07 1x5a n SER 10 N -0.32 0.00 -2.14 -1.70 3.41 -1.26 -4.95 113.62 106.67 1x5a n SER 10 Ca -0.07 0.26 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1x5a n SER 10 Cb 0.61 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1x5a n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5a n LEU 11 N -1.43 0.00 -4.23 1.04 -0.00 -1.26 -5.03 117.00 106.08 1x5a n LEU 11 Ca 0.00 -1.61 -0.23 0.00 -0.00 0.00 0.00 56.01 54.16 1x5a n LEU 11 Cb 0.00 0.90 -0.12 0.00 -0.00 0.00 0.00 43.42 44.20 1x5a n LEU 11 CO 0.00 -0.28 1.18 -0.24 -0.00 0.00 0.00 177.39 178.06 1x5a n SER 12 N -2.29 1.13 0.00 1.45 2.88 -1.26 -4.37 113.62 111.17 1x5a n SER 12 Ca 0.04 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1x5a n SER 12 Cb 0.31 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 5.73 0.43 2.94 0.46 0.00 -1.26 -4.72 105.19 108.78 1x5a n GLY 13 Ca 0.42 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1x5a n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5a n LEU 14 N 0.00 -0.25 -4.34 0.99 4.77 -1.26 -4.75 117.00 112.15 1x5a n LEU 14 Ca 0.00 -0.34 -0.45 0.00 -0.03 0.00 0.00 56.01 55.19 1x5a n LEU 14 Cb 0.00 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1x5a n LEU 14 CO 0.00 0.12 0.83 -1.20 -1.33 0.00 0.00 177.39 175.81 1x5a n SER 15 N -0.52 5.53 -3.29 -1.43 7.64 -1.26 -4.78 113.62 115.51 1x5a n SER 15 Ca -0.08 -3.04 -0.47 0.00 1.01 0.00 0.00 58.87 56.29 1x5a n SER 15 Cb 0.18 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 61.93 1x5a n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x5a n LEU 16 N 2.80 0.76 -4.38 -3.43 4.77 -1.26 -4.72 117.00 111.54 1x5a n LEU 16 Ca 0.25 0.83 -0.32 0.00 -0.03 0.00 0.00 56.01 56.73 1x5a n LEU 16 Cb 0.39 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 1x5a n LEU 16 CO 0.48 -0.65 -0.50 -0.75 -1.33 0.00 0.00 177.39 174.64 1x5a s LYS 17 N 1.89 2.60 -1.01 3.23 2.47 -1.08 -4.97 119.74 122.87 1x5a s LYS 17 Ca 0.72 -0.79 -0.15 0.00 -1.56 0.00 0.00 55.97 54.20 1x5a s LYS 17 Cb -1.03 -2.31 0.18 0.00 -1.46 0.00 0.00 37.83 33.22 1x5a s LYS 17 CO 0.55 0.48 1.13 -1.17 0.16 0.00 0.00 175.35 176.51 1x5a s LEU 18 N -0.39 5.61 0.01 5.43 2.96 -1.26 -2.64 118.68 128.40 1x5a s LEU 18 Ca 0.04 -2.68 -0.05 0.00 -0.22 0.00 0.00 54.13 51.22 1x5a s LEU 18 Cb -0.12 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 1x5a s LEU 18 CO 0.02 -0.75 1.07 -0.37 -1.32 0.00 0.00 176.35 175.00 1x5a h VAL 19 N 4.96 0.00 -3.56 1.68 -1.51 -1.93 -3.43 116.25 112.45 1x5a h VAL 19 Ca 0.19 0.00 -0.67 0.00 -1.23 0.00 0.00 66.70 65.00 1x5a h VAL 19 Cb 0.96 0.00 -0.23 0.00 -2.13 0.00 0.00 31.29 29.89 1x5a h VAL 19 CO 1.06 0.00 -0.73 -0.75 -1.23 0.00 0.00 177.57 175.91 1x5a s LYS 20 N -3.37 3.09 -0.66 5.19 2.20 -1.26 -5.05 119.74 119.88 1x5a s LYS 20 Ca -0.02 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 54.92 1x5a s LYS 20 Cb 0.00 -2.61 0.17 0.00 -1.51 0.00 0.00 37.83 33.88 1x5a s LYS 20 CO 0.08 0.41 0.48 0.21 -0.36 0.00 0.00 175.35 176.17 1x5a s LYS 21 N -0.16 2.69 0.13 4.03 2.20 -1.26 -3.63 119.74 123.74 1x5a s LYS 21 Ca 0.01 -2.58 0.03 0.00 -0.36 0.00 0.00 55.97 53.07 1x5a s LYS 21 Cb -0.13 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1x5a s LYS 21 CO 0.03 -1.19 0.18 -1.21 -0.36 0.00 0.00 175.35 172.80 1x5a s GLU 22 N -0.13 3.12 0.37 4.03 2.02 -0.91 -4.04 118.70 123.16 1x5a s GLU 22 Ca 0.18 -0.70 0.28 0.00 0.02 0.00 0.00 54.97 54.74 1x5a s GLU 22 Cb -0.19 -2.80 1.15 0.00 0.10 0.00 0.00 34.13 32.39 1x5a s GLU 22 CO -0.04 0.53 1.82 -1.00 0.02 0.00 0.00 175.26 176.59 1x5a h PRO 23 N 2.59 0.00 0.00 0.39 0.13 -1.88 -3.20 132.00 130.03 1x5a h PRO 23 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x5a h PRO 23 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x5a h PRO 23 CO 0.67 0.00 -0.65 0.54 -0.23 0.00 0.00 178.00 178.33 1x5a n ARG 24 N -2.56 2.33 -4.29 0.86 1.74 -1.26 -1.13 116.66 112.34 1x5a n ARG 24 Ca 0.01 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 1x5a n ARG 24 Cb 0.25 -0.83 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.47 2.25 -0.30 5.56 -0.44 -1.23 -0.73 119.66 123.30 1x5a s GLN 25 Ca 0.00 -1.48 -0.08 0.00 -2.50 0.00 0.00 55.36 51.30 1x5a s GLN 25 Cb 0.00 -2.12 0.17 0.00 -1.64 0.00 0.00 33.01 29.42 1x5a s GLN 25 CO 0.00 0.32 0.80 -0.51 0.50 0.00 0.00 175.29 176.40 1x5a s LEU 26 N -3.68 -0.96 0.10 3.68 1.43 -0.42 -2.13 118.68 116.71 1x5a s LEU 26 Ca 0.32 0.79 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 1x5a s LEU 26 Cb -0.05 1.88 -0.04 0.00 0.03 0.00 0.00 46.19 48.00 1x5a s LEU 26 CO 0.20 -0.18 0.01 -0.70 0.23 0.00 0.00 176.35 175.90 1x5a s GLU 27 N 2.83 2.55 0.03 1.70 2.12 -1.24 -2.35 118.70 124.33 1x5a s GLU 27 Ca 0.07 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.54 1x5a s GLU 27 Cb -0.12 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 1x5a s GLU 27 CO -0.17 0.53 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.52 1x5a s LEU 28 N -2.41 2.24 -0.06 2.70 1.43 -1.08 -3.24 118.68 118.25 1x5a s LEU 28 Ca 0.26 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1x5a s LEU 28 Cb -0.11 0.02 0.03 0.00 0.03 0.00 0.00 46.19 46.17 1x5a s LEU 28 CO 0.19 -0.27 0.13 0.28 0.23 0.00 0.00 176.35 176.91 1x5a s THR 29 N -1.40 -0.05 -0.25 5.49 -1.32 -1.08 -2.19 115.64 114.85 1x5a s THR 29 Ca -0.14 0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 1x5a s THR 29 Cb -0.10 -0.22 0.06 0.00 -1.51 0.00 0.00 72.50 70.74 1x5a s THR 29 CO -0.01 0.07 -0.06 -1.66 -2.21 0.00 0.00 174.62 170.75 1x5a s TRP 30 N 1.05 2.63 0.07 9.09 -2.14 -0.69 -2.64 118.94 126.31 1x5a s TRP 30 Ca -0.08 -1.94 -0.07 0.00 2.66 0.00 0.00 56.10 56.67 1x5a s TRP 30 Cb -0.11 -1.72 -0.01 0.00 -3.10 0.00 0.00 33.47 28.54 1x5a s TRP 30 CO -0.05 -0.81 0.13 0.00 -2.66 0.00 0.00 176.95 173.56 1x5a s ALA 31 N 1.31 -0.08 0.00 2.67 0.00 -1.26 -4.80 121.76 119.60 1x5a s ALA 31 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1x5a s ALA 31 Cb -0.19 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1x5a s ALA 31 CO -0.06 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1x5a n GLY 32 N 0.21 0.93 3.72 0.00 0.00 -1.26 -4.76 105.19 104.03 1x5a n GLY 32 Ca -0.16 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1x5a n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 33 N 1.45 3.74 0.21 1.61 0.15 -1.26 -5.01 113.70 114.59 1x5a s SER 33 Ca 0.00 2.06 -0.16 0.00 0.70 0.00 0.00 55.95 58.55 1x5a s SER 33 Cb 0.00 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 1x5a s SER 33 CO 0.00 -2.55 0.65 0.00 1.20 0.00 0.00 173.24 172.54 1x5a s ARG 34 N -4.65 4.09 1.20 5.44 1.04 -1.26 -4.95 118.95 119.87 1x5a s ARG 34 Ca 0.65 0.67 -0.19 0.00 -1.04 0.00 0.00 55.73 55.82 1x5a s ARG 34 Cb -0.21 -2.81 0.29 0.00 -2.04 0.00 0.00 34.95 30.17 1x5a s ARG 34 CO 0.55 0.38 1.11 -1.25 -0.04 0.00 0.00 175.30 176.05 1x5a s PRO 35 N -2.18 -1.21 0.00 3.89 0.04 -1.26 -4.90 135.00 129.38 1x5a s PRO 35 Ca 0.43 -0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.45 1x5a s PRO 35 Cb -0.15 -1.60 0.19 0.00 0.04 0.00 0.00 34.50 32.98 1x5a s PRO 35 CO 0.20 -3.70 1.12 2.89 0.04 0.00 0.00 177.00 177.55 1x5a n ARG 36 N -4.76 1.03 -4.45 4.56 -4.01 -1.26 -4.77 116.66 103.00 1x5a n ARG 36 Ca 0.13 -0.04 -0.22 0.00 -1.04 0.00 0.00 57.85 56.67 1x5a n ARG 36 Cb 0.59 -1.06 -0.13 0.00 -3.04 0.00 0.00 32.46 28.82 1x5a n ARG 36 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1x5a s ASN 37 N -1.09 2.04 1.19 2.89 4.22 -1.26 -5.15 114.94 117.77 1x5a s ASN 37 Ca 0.05 -0.51 -0.19 0.00 -2.14 0.00 0.00 52.86 50.08 1x5a s ASN 37 Cb 0.02 -0.14 0.28 0.00 1.28 0.00 0.00 41.25 42.69 1x5a s ASN 37 CO 0.04 0.08 1.11 -2.16 -2.04 0.00 0.00 177.10 174.13 1x5a s PRO 38 N -1.24 -1.11 0.00 3.55 0.04 -1.26 -5.09 135.00 129.89 1x5a s PRO 38 Ca 0.04 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1x5a s PRO 38 Cb -0.08 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1x5a s PRO 38 CO 0.02 -3.64 0.00 0.41 0.04 0.00 0.00 177.00 173.82 1x5a n GLY 39 N -0.97 3.60 0.00 0.56 0.00 -1.26 -5.08 105.19 102.04 1x5a n GLY 39 Ca 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.13 2.64 -0.02 0.00 -1.26 -5.02 105.19 99.40 1x5a n GLY 40 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.47 1x5a n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5a n ASN 41 N -0.58 4.26 -4.79 1.61 4.13 -1.26 -5.08 115.26 113.55 1x5a n ASN 41 Ca 0.00 -3.61 -0.33 0.00 1.68 0.00 0.00 54.58 52.32 1x5a n ASN 41 Cb 0.00 -0.51 0.01 0.00 -1.54 0.00 0.00 39.78 37.75 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5a s LEU 42 N -3.44 3.53 0.47 3.41 1.43 -1.26 -5.07 118.68 117.74 1x5a s LEU 42 Ca 0.47 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.48 1x5a s LEU 42 Cb 0.36 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 1x5a s LEU 42 CO -0.15 -1.23 0.04 -0.44 0.23 0.00 0.00 176.35 174.80 1x5a s SER 43 N -2.60 3.67 -0.03 2.29 0.01 -1.26 -4.94 113.70 110.84 1x5a s SER 43 Ca 0.65 -1.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.26 1x5a s SER 43 Cb -0.18 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.51 1x5a s SER 43 CO 0.35 -0.84 0.08 -0.31 0.41 0.00 0.00 173.24 172.93 1x5a s TYR 44 N -2.97 -0.07 -0.25 2.43 2.02 -0.47 -2.14 117.35 115.89 1x5a s TYR 44 Ca 0.14 0.23 -0.12 0.00 -0.37 0.00 0.00 57.07 56.96 1x5a s TYR 44 Cb 0.03 -0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1x5a s TYR 44 CO 0.08 -0.07 0.22 -2.00 -1.57 0.00 0.00 175.55 172.20 1x5a s GLU 45 N 0.50 4.03 -0.17 -0.62 2.12 -0.70 -0.93 118.70 122.93 1x5a s GLU 45 Ca -0.04 -0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.04 1x5a s GLU 45 Cb -0.05 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1x5a s GLU 45 CO -0.02 -0.08 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.45 1x5a s LEU 46 N 1.46 3.37 -0.16 2.70 1.98 -0.95 -2.59 118.68 124.49 1x5a s LEU 46 Ca 0.09 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.23 1x5a s LEU 46 Cb -0.15 -1.83 0.03 0.00 0.66 0.00 0.00 46.19 44.90 1x5a s LEU 46 CO 0.08 0.14 -0.10 -2.28 -1.89 0.00 0.00 176.35 172.30 1x5a s HIS 47 N 0.55 1.99 -0.13 5.38 5.65 -0.56 -0.12 115.29 128.04 1x5a s HIS 47 Ca -0.01 -1.19 -0.03 0.00 0.25 0.00 0.00 55.06 54.08 1x5a s HIS 47 Cb -0.14 -1.47 -0.03 0.00 -1.18 0.00 0.00 32.58 29.76 1x5a s HIS 47 CO 0.02 -0.65 -0.03 0.08 -0.65 0.00 0.00 174.74 173.52 1x5a s VAL 48 N 1.54 3.98 -0.09 0.89 1.01 -0.87 -1.69 120.40 125.17 1x5a s VAL 48 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1x5a s VAL 48 Cb -0.14 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1x5a s VAL 48 CO -0.09 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 1x5a s LEU 49 N -0.03 1.47 0.54 3.92 1.02 0.56 -0.82 118.68 125.35 1x5a s LEU 49 Ca 0.02 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.88 1x5a s LEU 49 Cb -0.13 -0.88 0.03 0.00 0.02 0.00 0.00 46.19 45.23 1x5a s LEU 49 CO 0.02 -0.03 0.31 0.21 0.02 0.00 0.00 176.35 176.88 1x5a s ASN 50 N 1.16 4.51 0.07 2.29 2.47 0.28 -0.53 114.94 125.19 1x5a s ASN 50 Ca -0.05 -1.36 -0.14 0.00 0.42 0.00 0.00 52.86 51.73 1x5a s ASN 50 Cb -0.14 0.49 -0.03 0.00 -1.45 0.00 0.00 41.25 40.12 1x5a s ASN 50 CO -0.03 -1.07 0.93 1.67 -3.72 0.00 0.00 177.10 174.89 1x5a n GLN 51 N -1.66 -0.20 0.00 0.43 7.27 -1.26 -3.27 117.38 118.69 1x5a n GLN 51 Ca -0.06 0.92 0.00 0.00 0.07 0.00 0.00 57.00 57.93 1x5a n GLN 51 Cb 0.65 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.94 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1x5a n ASP 52 N -4.12 0.57 -4.16 1.69 5.68 -1.26 -5.01 116.55 109.94 1x5a n ASP 52 Ca 0.01 -1.15 -0.34 0.00 -0.50 0.00 0.00 54.79 52.81 1x5a n ASP 52 Cb 0.12 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.95 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x5a s GLU 53 N -0.15 2.66 -0.21 0.11 2.02 -1.20 -5.09 118.70 116.84 1x5a s GLU 53 Ca 0.00 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.91 1x5a s GLU 53 Cb 0.00 -2.96 0.04 0.00 0.10 0.00 0.00 34.13 31.31 1x5a s GLU 53 CO 0.00 -0.46 -0.13 -2.00 0.02 0.00 0.00 175.26 172.70 1x5a s GLU 54 N 1.26 2.28 -0.06 1.61 2.12 -1.26 0.10 118.70 124.76 1x5a s GLU 54 Ca -0.02 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.39 1x5a s GLU 54 Cb -0.18 -2.54 0.02 0.00 0.26 0.00 0.00 34.13 31.70 1x5a s GLU 54 CO -0.05 -0.41 -0.08 1.67 -0.54 0.00 0.00 175.26 175.86 1x5a s TRP 55 N 1.31 1.10 0.17 5.30 -2.14 0.00 -4.98 118.94 119.72 1x5a s TRP 55 Ca -0.01 -0.38 0.06 0.00 2.66 0.00 0.00 56.10 58.43 1x5a s TRP 55 Cb -0.16 -0.88 -0.04 0.00 -3.10 0.00 0.00 33.47 29.29 1x5a s TRP 55 CO -0.09 -0.25 0.06 -3.38 -2.66 0.00 0.00 176.95 170.64 1x5a s HIS 56 N 0.86 2.97 -0.21 1.66 -3.43 -1.26 -2.04 115.29 113.85 1x5a s HIS 56 Ca -0.12 -0.09 -0.10 0.00 -0.80 0.00 0.00 55.06 53.96 1x5a s HIS 56 Cb -0.15 -1.43 0.07 0.00 -1.43 0.00 0.00 32.58 29.64 1x5a s HIS 56 CO 0.01 0.52 0.48 1.14 -2.00 0.00 0.00 174.74 174.90 1x5a s GLN 57 N -3.04 0.45 -0.06 -0.38 -2.07 0.83 -4.97 119.66 110.43 1x5a s GLN 57 Ca 0.29 0.97 -0.30 0.00 -1.82 0.00 0.00 55.36 54.50 1x5a s GLN 57 Cb -0.10 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 31.94 1x5a s GLN 57 CO 0.21 -0.18 1.07 1.41 -1.32 0.00 0.00 175.29 176.48 1x5a s MET 58 N 1.79 4.43 0.02 9.60 -2.45 -1.26 -2.23 119.30 129.19 1x5a s MET 58 Ca -0.08 1.51 0.08 0.00 -1.25 0.00 0.00 55.69 55.95 1x5a s MET 58 Cb -0.09 -3.51 -0.03 0.00 1.25 0.00 0.00 34.83 32.45 1x5a s MET 58 CO -0.15 -0.30 -0.24 0.14 1.05 0.00 0.00 175.02 175.53 1x5a s VAL 59 N 1.78 2.33 -0.04 10.11 -7.23 -0.11 -4.93 120.40 122.31 1x5a s VAL 59 Ca 0.52 -1.21 0.13 0.00 -1.81 0.00 0.00 61.98 59.61 1x5a s VAL 59 Cb -0.22 -1.89 -0.17 0.00 0.56 0.00 0.00 36.38 34.66 1x5a s VAL 59 CO 0.22 0.44 0.91 -0.07 -0.31 0.00 0.00 175.10 176.29 1x5a h LEU 60 N 4.99 0.00-10.04 1.32 3.38 -1.92 -1.24 115.31 111.80 1x5a h LEU 60 Ca -0.46 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.97 1x5a h LEU 60 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1x5a h LEU 60 CO 0.46 0.84 -0.25 -1.83 0.09 0.00 0.00 178.44 177.75 1x5a s GLU 61 N -2.75 3.60 0.00 1.13 -1.05 -1.26 -4.59 118.70 113.79 1x5a s GLU 61 Ca -0.02 -0.12 0.05 0.00 -0.15 0.00 0.00 54.97 54.73 1x5a s GLU 61 Cb 0.09 -2.76 0.29 0.00 -0.44 0.00 0.00 34.13 31.30 1x5a s GLU 61 CO 0.81 0.35 0.76 -0.35 0.95 0.00 0.00 175.26 177.77 1x5a n PRO 62 N -0.54 0.49 -4.27 -4.83 -0.04 -1.26 -4.69 135.00 119.86 1x5a n PRO 62 Ca -0.03 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.20 1x5a n PRO 62 Cb 0.53 -1.16 -0.12 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.07 -0.01 0.54 1.70 -1.26 -1.70 118.95 117.29 1x5a s ARG 63 Ca 0.07 -1.13 0.01 0.00 -0.47 0.00 0.00 55.73 54.21 1x5a s ARG 63 Cb 0.03 -1.29 0.01 0.00 -0.57 0.00 0.00 34.95 33.13 1x5a s ARG 63 CO 0.06 0.30 -0.03 0.54 -1.08 0.00 0.00 175.30 175.09 1x5a s VAL 64 N -1.22 0.28 -0.32 4.99 0.11 -0.93 -4.92 120.40 118.40 1x5a s VAL 64 Ca 0.05 -0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 1x5a s VAL 64 Cb -0.10 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1x5a s VAL 64 CO 0.04 0.11 0.11 -0.22 -3.33 0.00 0.00 175.10 171.81 1x5a s LEU 65 N 0.32 4.12 -0.16 2.54 1.98 -1.26 -2.63 118.68 123.58 1x5a s LEU 65 Ca -0.03 -0.89 -0.03 0.00 -2.89 0.00 0.00 54.13 50.29 1x5a s LEU 65 Cb -0.06 -1.90 -0.02 0.00 0.66 0.00 0.00 46.19 44.87 1x5a s LEU 65 CO -0.01 -0.26 -0.05 -0.76 -1.89 0.00 0.00 176.35 173.38 1x5a s LEU 66 N 1.48 3.11 0.00 -0.68 1.43 -0.99 -5.05 118.68 117.98 1x5a s LEU 66 Ca 0.01 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1x5a s LEU 66 Cb -0.18 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1x5a s LEU 66 CO 0.03 0.14 0.08 0.35 0.23 0.00 0.00 176.35 177.18 1x5a n THR 67 N 3.74 0.00 -3.68 5.49 -2.24 -1.26 -1.30 114.28 115.03 1x5a n THR 67 Ca -0.18 -1.20 -0.24 0.00 -2.27 0.00 0.00 64.05 60.17 1x5a n THR 67 Cb 0.52 0.44 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1x5a n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5a n LYS 68 N -0.45 -6.30 -3.17 -0.78 5.02 -1.18 -4.96 118.16 106.35 1x5a n LYS 68 Ca -0.02 0.72 -0.19 0.00 -2.02 0.00 0.00 58.31 56.79 1x5a n LYS 68 Cb 0.31 -5.60 0.02 0.00 -0.02 0.00 0.00 35.03 29.74 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 -6.97 3.32 -0.06 -0.35 1.43 0.10 -5.07 118.68 111.08 1x5a s LEU 69 Ca 0.35 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1x5a s LEU 69 Cb -0.17 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1x5a s LEU 69 CO 0.78 -1.01 0.03 -1.10 0.23 0.00 0.00 176.35 175.28 1x5a s GLN 70 N -4.44 3.00 0.37 1.70 -1.52 -1.26 -4.47 119.66 113.05 1x5a s GLN 70 Ca 0.55 -0.43 -0.27 0.00 -1.95 0.00 0.00 55.36 53.26 1x5a s GLN 70 Cb -0.07 -2.82 -0.09 0.00 -0.22 0.00 0.00 33.01 29.82 1x5a s GLN 70 CO 0.34 0.69 1.20 -1.25 -0.25 0.00 0.00 175.29 176.01 1x5a s PRO 71 N -1.19 4.18 -1.18 2.91 0.04 -0.29 -3.67 135.00 135.81 1x5a s PRO 71 Ca 0.16 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1x5a s PRO 71 Cb -0.12 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1x5a s PRO 71 CO 0.06 -0.24 0.91 -3.47 0.04 0.00 0.00 177.00 174.30 1x5a n ASP 72 N 0.37 -3.31 -3.94 6.66 2.03 -1.18 -4.87 116.55 112.30 1x5a n ASP 72 Ca 0.03 -0.71 -0.13 0.00 0.52 0.00 0.00 54.79 54.50 1x5a n ASP 72 Cb 0.45 -4.85 -0.13 0.00 -0.72 0.00 0.00 41.12 35.87 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 -3.43 0.22 -0.25 5.18 2.01 -1.24 -4.96 115.64 113.17 1x5a s THR 73 Ca 0.15 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 1x5a s THR 73 Cb -0.03 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 1x5a s THR 73 CO 0.76 -0.11 0.64 -0.89 -0.69 0.00 0.00 174.62 174.32 1x5a s THR 74 N -0.50 4.98 -0.16 -0.82 2.01 -1.26 -2.25 115.64 117.64 1x5a s THR 74 Ca -0.04 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.13 1x5a s THR 74 Cb -0.04 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1x5a s THR 74 CO -0.00 0.03 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.47 1x5a s TYR 75 N 2.50 2.75 0.02 4.92 2.02 0.61 -4.32 117.35 125.85 1x5a s TYR 75 Ca 0.27 -1.23 -0.18 0.00 -0.37 0.00 0.00 57.07 55.56 1x5a s TYR 75 Cb -0.15 -1.88 -0.06 0.00 -0.40 0.00 0.00 41.96 39.46 1x5a s TYR 75 CO 0.08 -0.58 0.51 0.42 -1.57 0.00 0.00 175.55 174.42 1x5a s ILE 76 N 0.92 4.91 -0.03 2.71 -1.09 0.31 -2.94 121.20 125.98 1x5a s ILE 76 Ca -0.04 1.06 -0.02 0.00 -2.23 0.00 0.00 60.65 59.42 1x5a s ILE 76 Cb -0.15 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1x5a s ILE 76 CO -0.03 0.52 0.08 -0.69 -1.23 0.00 0.00 174.94 173.59 1x5a s VAL 77 N -0.80 -0.01 -0.04 2.92 1.01 -1.23 -0.32 120.40 121.92 1x5a s VAL 77 Ca 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1x5a s VAL 77 Cb -0.18 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.10 1x5a s VAL 77 CO 0.16 0.02 0.09 0.00 0.00 0.00 0.00 175.10 175.37 1x5a s ARG 78 N 0.29 0.05 0.07 2.72 1.70 -0.68 -3.36 118.95 119.75 1x5a s ARG 78 Ca -0.02 0.23 0.08 0.00 -0.47 0.00 0.00 55.73 55.55 1x5a s ARG 78 Cb -0.03 -0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1x5a s ARG 78 CO -0.01 -0.12 -0.22 0.54 -1.08 0.00 0.00 175.30 174.41 1x5a s VAL 79 N 0.78 1.82 -0.10 4.99 0.11 -1.26 -1.50 120.40 125.24 1x5a s VAL 79 Ca -0.06 -1.39 -0.12 0.00 -2.93 0.00 0.00 61.98 57.47 1x5a s VAL 79 Cb -0.08 -1.60 0.03 0.00 -1.53 0.00 0.00 36.38 33.20 1x5a s VAL 79 CO -0.03 0.14 0.32 0.00 -3.33 0.00 0.00 175.10 172.19 1x5a s ARG 80 N -1.51 0.44 -0.45 1.54 1.70 -1.07 -3.47 118.95 116.14 1x5a s ARG 80 Ca 0.09 0.31 -0.28 0.00 -0.47 0.00 0.00 55.73 55.37 1x5a s ARG 80 Cb -0.09 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1x5a s ARG 80 CO 0.03 -0.07 1.62 0.99 -1.08 0.00 0.00 175.30 176.78 1x5a s THR 81 N -0.16 3.65 0.37 4.99 2.01 -1.26 -1.72 115.64 123.53 1x5a s THR 81 Ca -0.03 0.61 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 1x5a s THR 81 Cb -0.03 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 1x5a s THR 81 CO 0.01 -0.75 1.26 -0.76 -0.69 0.00 0.00 174.62 173.70 1x5a s LEU 82 N 6.64 4.30 0.07 4.42 1.43 -0.91 -3.57 118.68 131.07 1x5a s LEU 82 Ca 0.67 2.58 0.04 0.00 -1.03 0.00 0.00 54.13 56.38 1x5a s LEU 82 Cb -0.16 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1x5a s LEU 82 CO 0.30 -0.67 -0.11 0.42 0.23 0.00 0.00 176.35 176.52 1x5a s THR 83 N -1.25 0.88 0.14 5.49 -4.23 -1.26 -4.34 115.64 111.07 1x5a s THR 83 Ca 0.54 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.57 1x5a s THR 83 Cb -0.37 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.38 1x5a s THR 83 CO 0.48 -0.40 1.47 1.55 -0.54 0.00 0.00 174.62 177.18 1x5a h PRO 84 N 4.07 0.93 -3.45 3.99 0.13 -2.01 -3.38 132.00 132.28 1x5a h PRO 84 Ca -0.38 -0.49 -0.63 0.00 -0.87 0.00 0.00 66.00 63.64 1x5a h PRO 84 Cb 1.19 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1x5a h PRO 84 CO 0.45 1.14 -0.70 -0.51 -0.23 0.00 0.00 178.00 178.15 1x5a s LEU 85 N -8.90 3.52 0.00 1.56 1.43 -1.26 -4.90 118.68 110.14 1x5a s LEU 85 Ca -0.11 -2.58 0.00 0.00 -1.03 0.00 0.00 54.13 50.41 1x5a s LEU 85 Cb 0.11 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1x5a s LEU 85 CO 0.88 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.78 1x5a n GLY 86 N 3.65 -0.26 3.77 -3.19 0.00 -1.26 -5.04 105.19 102.85 1x5a n GLY 86 Ca 0.05 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.93 4.38 1.02 1.61 0.04 -1.26 -4.71 135.00 135.15 1x5a s PRO 87 Ca 0.00 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1x5a s PRO 87 Cb 0.00 -3.03 0.20 0.00 0.04 0.00 0.00 34.50 31.71 1x5a s PRO 87 CO 0.00 -0.10 1.08 0.20 0.04 0.00 0.00 177.00 178.22 1x5a s GLY 88 N -0.73 1.60 0.71 0.56 0.00 -1.23 -4.94 107.32 103.28 1x5a s GLY 88 Ca 0.49 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.10 1x5a s GLY 88 CO 0.47 0.60 1.10 2.56 0.00 0.00 0.00 173.10 177.83 1x5a s PRO 89 N -4.68 2.56 0.32 2.90 0.04 -1.26 -4.86 135.00 130.01 1x5a s PRO 89 Ca 0.66 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1x5a s PRO 89 Cb -0.22 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1x5a s PRO 89 CO 0.60 -1.42 0.94 -0.06 0.04 0.00 0.00 177.00 177.10 1x5a s PHE 90 N -2.58 3.70 0.78 0.56 0.08 -1.26 -4.74 117.98 114.52 1x5a s PHE 90 Ca 0.64 1.78 -0.13 0.00 0.12 0.00 0.00 56.93 59.34 1x5a s PHE 90 Cb -0.19 -2.92 0.07 0.00 -0.57 0.00 0.00 43.02 39.41 1x5a s PHE 90 CO 0.48 0.22 1.17 -1.54 -0.10 0.00 0.00 175.22 175.46 1x5a s SER 91 N -1.60 3.94 0.21 1.36 1.04 -1.23 -4.93 113.70 112.48 1x5a s SER 91 Ca 0.50 2.24 -0.30 0.00 0.48 0.00 0.00 55.95 58.87 1x5a s SER 91 Cb -0.19 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.27 1x5a s SER 91 CO 0.24 -2.43 1.30 -2.16 0.98 0.00 0.00 173.24 171.17 1x5a s PRO 92 N -4.21 4.40 -0.72 4.02 0.04 -1.26 -4.80 135.00 132.47 1x5a s PRO 92 Ca 0.71 2.04 -0.38 0.00 0.04 0.00 0.00 61.00 63.41 1x5a s PRO 92 Cb -0.26 -3.19 -0.20 0.00 0.04 0.00 0.00 34.50 30.89 1x5a s PRO 92 CO 0.49 -0.23 2.37 -0.25 0.04 0.00 0.00 177.00 179.42 1x5a n ASP 93 N 2.51 0.54 -4.54 6.66 9.92 -1.26 -4.83 116.55 125.55 1x5a n ASP 93 Ca 0.06 0.46 -0.43 0.00 -0.53 0.00 0.00 54.79 54.34 1x5a n ASP 93 Cb 0.43 -0.90 -0.04 0.00 -0.64 0.00 0.00 41.12 39.97 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1x5a s HIS 94 N 7.27 2.84 -0.42 1.24 3.76 -1.21 -4.97 115.29 123.80 1x5a s HIS 94 Ca 1.26 0.16 -0.28 0.00 -0.15 0.00 0.00 55.06 56.05 1x5a s HIS 94 Cb -1.38 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 28.25 1x5a s HIS 94 CO 0.58 -1.26 1.70 -2.00 -0.85 0.00 0.00 174.74 172.92 1x5a s GLU 95 N 3.90 3.24 0.04 1.40 2.12 -1.26 -3.54 118.70 124.60 1x5a s GLU 95 Ca 0.33 1.10 0.09 0.00 0.36 0.00 0.00 54.97 56.86 1x5a s GLU 95 Cb -0.11 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.06 1x5a s GLU 95 CO 0.22 -1.97 -0.26 -0.06 -0.54 0.00 0.00 175.26 172.65 1x5a s PHE 96 N 6.96 2.29 -0.03 5.30 0.08 -1.15 -5.02 117.98 126.41 1x5a s PHE 96 Ca 0.72 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.39 1x5a s PHE 96 Cb -0.18 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1x5a s PHE 96 CO 0.30 0.12 -0.13 0.50 -0.10 0.00 0.00 175.22 175.91 1x5a s ARG 97 N -1.20 1.30 0.30 0.44 3.52 -1.26 -0.28 118.95 121.76 1x5a s ARG 97 Ca 0.11 -0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 55.02 1x5a s ARG 97 Cb -0.10 -1.18 -0.09 0.00 -1.56 0.00 0.00 34.95 32.01 1x5a s ARG 97 CO 0.02 0.21 0.86 0.95 -0.81 0.00 0.00 175.30 176.53 1x5a s THR 98 N -0.01 4.38 0.30 4.11 -4.23 -0.96 -4.93 115.64 114.31 1x5a s THR 98 Ca -0.01 1.55 -0.26 0.00 -1.18 0.00 0.00 61.69 61.79 1x5a s THR 98 Cb -0.09 -3.89 -0.15 0.00 1.34 0.00 0.00 72.50 69.71 1x5a s THR 98 CO 0.01 0.10 0.59 -0.24 -0.54 0.00 0.00 174.62 174.53 1x5a n SER 99 N 0.44 -0.76 -4.77 3.99 2.88 -1.21 -3.44 113.62 110.75 1x5a n SER 99 Ca 0.01 1.05 -0.38 0.00 -1.33 0.00 0.00 58.87 58.22 1x5a n SER 99 Cb 0.51 -1.06 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 1x5a n SER 99 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x5a s PRO 100 N -1.27 3.90 0.96 -1.46 0.04 -1.26 -3.11 135.00 132.79 1x5a s PRO 100 Ca 0.62 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 1x5a s PRO 100 Cb -0.76 -2.55 0.16 0.00 0.04 0.00 0.00 34.50 31.39 1x5a s PRO 100 CO 0.58 -0.44 1.09 -1.25 0.04 0.00 0.00 177.00 177.02 1x5a s PRO 101 N -2.49 0.78 -1.39 0.56 0.04 -1.26 -4.00 135.00 127.24 1x5a s PRO 101 Ca 0.60 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 1x5a s PRO 101 Cb -0.30 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x5a s PRO 101 CO 0.37 -2.53 0.96 0.45 0.04 0.00 0.00 177.00 176.30 1x5a n SER 102 N -4.05 -3.89 -0.02 6.66 2.88 -1.26 -4.67 113.62 109.26 1x5a n SER 102 Ca 0.06 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1x5a n SER 102 Cb 0.56 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.64 1x5a n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 103 N -1.67 -1.73 0.15 0.46 0.00 -1.26 -4.38 105.19 96.77 1x5a n GLY 103 Ca -0.10 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1x5a n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5a h PRO 104 N 0.00 0.43 -1.62 1.61 0.13 -1.83 -3.41 132.00 127.30 1x5a h PRO 104 Ca 0.00 -0.22 0.08 0.00 -0.87 0.00 0.00 66.00 64.99 1x5a h PRO 104 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.88 1x5a h PRO 104 CO 0.00 0.79 0.36 -1.54 -0.23 0.00 0.00 178.00 177.38 1x5a s SER 105 N -6.20 -0.54 -0.06 1.44 1.04 -1.26 -4.85 113.70 103.26 1x5a s SER 105 Ca -0.14 0.93 0.03 0.00 0.48 0.00 0.00 55.95 57.26 1x5a s SER 105 Cb 0.06 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.30 1x5a s SER 105 CO 0.77 -0.15 -0.16 -0.44 0.98 0.00 0.00 173.24 174.24 1x5a s SER 106 N 0.94 2.09 0.00 7.02 0.01 -1.26 -5.16 113.70 117.35 1x5a s SER 106 Ca -0.04 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1x5a s SER 106 Cb -0.04 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1x5a s SER 106 CO -0.12 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.24