#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 -0.42 -0.54 1.61 0.15 -1.26 -5.11 113.70 108.13 1x5a s SER 2 Ca 0.00 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 1x5a s SER 2 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x5a s SER 2 CO 0.00 -0.76 1.53 -0.55 1.20 0.00 0.00 173.24 174.66 1x5a s SER 3 N -2.60 5.97 0.00 5.45 0.15 -1.26 -4.82 113.70 116.59 1x5a s SER 3 Ca 0.04 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1x5a s SER 3 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1x5a s SER 3 CO -0.09 -1.81 0.00 0.61 1.20 0.00 0.00 173.24 173.14 1x5a n GLY 4 N 5.35 -0.54 3.32 9.45 0.00 -1.26 -5.07 105.19 116.44 1x5a n GLY 4 Ca 0.15 -0.89 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 1x5a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 5 N -4.00 6.74 0.22 1.61 0.15 -1.26 -5.05 113.70 112.12 1x5a s SER 5 Ca 0.00 -2.77 -0.30 0.00 0.70 0.00 0.00 55.95 53.59 1x5a s SER 5 Cb 0.00 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 62.03 1x5a s SER 5 CO 0.00 -0.54 1.12 -0.44 1.20 0.00 0.00 173.24 174.57 1x5a s SER 6 N 2.03 7.24 -0.29 5.45 0.01 -1.26 -5.03 113.70 121.85 1x5a s SER 6 Ca 0.19 2.19 -0.19 0.00 1.31 0.00 0.00 55.95 59.45 1x5a s SER 6 Cb -0.10 -2.61 0.15 0.00 0.21 0.00 0.00 66.02 63.66 1x5a s SER 6 CO -0.09 -0.21 1.07 -0.83 0.41 0.00 0.00 173.24 173.59 1x5a s GLY 7 N -0.39 0.07 -0.09 3.44 0.00 -1.26 -5.16 107.32 103.93 1x5a s GLY 7 Ca 0.48 3.14 0.03 0.00 0.00 0.00 0.00 44.72 48.37 1x5a s GLY 7 CO 0.38 2.35 -0.19 0.00 0.00 0.00 0.00 173.10 175.64 1x5a s ALA 8 N 0.88 1.76 0.05 3.20 0.00 -1.26 -5.13 121.76 121.26 1x5a s ALA 8 Ca -0.04 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1x5a s ALA 8 Cb -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1x5a s ALA 8 CO -0.12 0.20 -0.20 -1.83 0.00 0.00 0.00 175.76 173.81 1x5a s GLU 9 N 0.51 1.29 -0.90 0.00 -1.05 -1.26 -5.09 118.70 112.20 1x5a s GLU 9 Ca -0.17 -0.93 -0.05 0.00 -0.15 0.00 0.00 54.97 53.67 1x5a s GLU 9 Cb -0.17 -1.40 0.23 0.00 -0.44 0.00 0.00 34.13 32.34 1x5a s GLU 9 CO 0.06 0.35 0.81 -1.12 0.95 0.00 0.00 175.26 176.32 1x5a s SER 10 N -1.24 6.32 -0.29 0.83 0.01 -1.26 -5.03 113.70 113.05 1x5a s SER 10 Ca 0.06 -3.44 -0.10 0.00 1.31 0.00 0.00 55.95 53.79 1x5a s SER 10 Cb -0.09 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 1x5a s SER 10 CO 0.02 -0.29 0.15 -0.22 0.41 0.00 0.00 173.24 173.32 1x5a s LEU 11 N -0.95 3.97 1.02 2.44 2.96 -1.26 -4.86 118.68 121.99 1x5a s LEU 11 Ca 0.26 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 1x5a s LEU 11 Cb -0.10 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 1x5a s LEU 11 CO -0.10 -0.12 -0.18 -0.24 -1.32 0.00 0.00 176.35 174.40 1x5a n SER 12 N 5.01 -2.99 -4.55 3.68 2.88 -1.26 -4.62 113.62 111.77 1x5a n SER 12 Ca -0.14 0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 57.29 1x5a n SER 12 Cb 0.51 -0.96 -0.08 0.00 -0.75 0.00 0.00 64.21 62.93 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 2.26 -0.10 2.55 0.46 0.00 -1.26 -4.77 105.19 104.33 1x5a n GLY 13 Ca 0.02 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 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 16.15 2.61 -4.44 0.99 4.77 -1.26 -4.13 117.00 131.67 1x5a n LEU 14 Ca 0.47 -5.34 -0.44 0.00 -0.03 0.00 0.00 56.01 50.68 1x5a n LEU 14 Cb 0.41 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1x5a n LEU 14 CO 0.67 2.32 0.84 -0.94 -1.33 0.00 0.00 177.39 178.95 1x5a s SER 15 N -2.92 6.41 -0.19 -1.43 1.04 -1.26 -4.92 113.70 110.42 1x5a s SER 15 Ca 0.44 -1.57 -0.38 0.00 0.48 0.00 0.00 55.95 54.93 1x5a s SER 15 Cb 0.31 -2.40 -0.14 0.00 0.10 0.00 0.00 66.02 63.89 1x5a s SER 15 CO -0.11 -1.22 1.79 0.18 0.98 0.00 0.00 173.24 174.86 1x5a n LEU 16 N 6.99 2.81 -4.42 2.42 4.77 -1.26 -4.71 117.00 123.59 1x5a n LEU 16 Ca 0.10 1.04 -0.33 0.00 -0.03 0.00 0.00 56.01 56.79 1x5a n LEU 16 Cb 0.47 -1.24 -0.14 0.00 -2.33 0.00 0.00 43.42 40.18 1x5a n LEU 16 CO 0.57 -0.29 -0.45 -0.75 -1.33 0.00 0.00 177.39 175.13 1x5a s LYS 17 N 3.65 2.90 -0.77 3.23 2.47 -1.22 -4.97 119.74 125.02 1x5a s LYS 17 Ca 0.96 -0.70 -0.24 0.00 -1.56 0.00 0.00 55.97 54.43 1x5a s LYS 17 Cb -0.91 -2.48 0.06 0.00 -1.46 0.00 0.00 37.83 33.04 1x5a s LYS 17 CO 0.59 0.44 1.16 -1.17 0.16 0.00 0.00 175.35 176.53 1x5a s LEU 18 N -0.24 3.95 -0.09 5.43 2.96 -1.26 -2.93 118.68 126.51 1x5a s LEU 18 Ca 0.01 -1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 52.77 1x5a s LEU 18 Cb -0.13 -2.48 -0.28 0.00 0.50 0.00 0.00 46.19 43.80 1x5a s LEU 18 CO 0.03 -1.53 0.57 -0.37 -1.32 0.00 0.00 176.35 173.72 1x5a h VAL 19 N 6.09 0.95 -3.62 1.68 -1.51 -1.73 -3.44 116.25 114.67 1x5a h VAL 19 Ca -0.16 -2.42 -0.68 0.00 -1.23 0.00 0.00 66.70 62.21 1x5a h VAL 19 Cb 1.05 2.70 -0.31 0.00 -2.13 0.00 0.00 31.29 32.60 1x5a h VAL 19 CO 1.24 0.77 -0.71 -0.75 -1.23 0.00 0.00 177.57 176.89 1x5a s LYS 20 N -2.52 2.73 -0.76 5.19 2.47 -1.17 -4.95 119.74 120.73 1x5a s LYS 20 Ca -0.19 -1.07 -0.06 0.00 -1.56 0.00 0.00 55.97 53.09 1x5a s LYS 20 Cb 0.05 -3.13 0.20 0.00 -1.46 0.00 0.00 37.83 33.48 1x5a s LYS 20 CO 0.79 -0.49 0.64 0.21 0.16 0.00 0.00 175.35 176.66 1x5a s LYS 21 N 1.33 3.09 0.22 4.03 2.20 -1.26 -2.48 119.74 126.87 1x5a s LYS 21 Ca -0.01 -2.71 0.10 0.00 -0.36 0.00 0.00 55.97 52.98 1x5a s LYS 21 Cb -0.18 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 1x5a s LYS 21 CO -0.02 -1.23 -0.11 -1.21 -0.36 0.00 0.00 175.35 172.42 1x5a s GLU 22 N -0.35 1.97 0.53 4.03 2.02 -0.50 -4.30 118.70 122.10 1x5a s GLU 22 Ca 0.20 -1.43 0.32 0.00 0.02 0.00 0.00 54.97 54.08 1x5a s GLU 22 Cb -0.14 -2.04 1.33 0.00 0.10 0.00 0.00 34.13 33.37 1x5a s GLU 22 CO -0.07 0.39 1.97 -1.00 0.02 0.00 0.00 175.26 176.58 1x5a h PRO 23 N 2.59 0.00 0.00 0.39 0.13 -1.91 -2.93 132.00 130.27 1x5a h PRO 23 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1x5a h PRO 23 Cb 1.23 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.15 1x5a h PRO 23 CO 0.56 0.05 -0.74 0.54 -0.23 0.00 0.00 178.00 178.17 1x5a n ARG 24 N -3.18 0.40 -3.56 0.86 1.74 -1.26 -1.68 116.66 109.98 1x5a n ARG 24 Ca 0.00 -2.09 -0.10 0.00 -0.77 0.00 0.00 57.85 54.89 1x5a n ARG 24 Cb 0.32 -0.53 -0.04 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.85 0.63 -0.24 5.56 0.74 -1.20 -3.16 119.66 121.14 1x5a s GLN 25 Ca 0.28 0.06 -0.12 0.00 0.05 0.00 0.00 55.36 55.63 1x5a s GLN 25 Cb 0.30 0.29 0.08 0.00 1.10 0.00 0.00 33.01 34.78 1x5a s GLN 25 CO -0.10 -0.21 0.56 -0.51 -0.55 0.00 0.00 175.29 174.48 1x5a s LEU 26 N -1.38 -0.69 -0.01 3.68 1.43 -0.86 -1.41 118.68 119.44 1x5a s LEU 26 Ca -0.00 1.27 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 1x5a s LEU 26 Cb -0.01 1.92 -0.03 0.00 0.03 0.00 0.00 46.19 48.11 1x5a s LEU 26 CO -0.00 -0.22 -0.12 -0.70 0.23 0.00 0.00 176.35 175.54 1x5a s GLU 27 N 1.93 2.44 0.10 1.70 2.12 -1.04 -1.64 118.70 124.31 1x5a s GLU 27 Ca -0.08 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.54 1x5a s GLU 27 Cb -0.08 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 1x5a s GLU 27 CO -0.17 0.60 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.52 1x5a s LEU 28 N -1.14 2.36 -0.05 2.70 1.43 -1.02 -1.81 118.68 121.15 1x5a s LEU 28 Ca 0.14 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1x5a s LEU 28 Cb -0.11 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.71 1x5a s LEU 28 CO 0.04 -0.17 0.09 0.28 0.23 0.00 0.00 176.35 176.83 1x5a s THR 29 N -1.95 -0.12 -0.26 5.49 -1.32 -1.15 -2.60 115.64 113.73 1x5a s THR 29 Ca 0.04 0.30 0.01 0.00 -1.21 0.00 0.00 61.69 60.83 1x5a s THR 29 Cb -0.06 -0.18 0.07 0.00 -1.51 0.00 0.00 72.50 70.82 1x5a s THR 29 CO 0.02 0.12 -0.01 -1.66 -2.21 0.00 0.00 174.62 170.88 1x5a s TRP 30 N 1.67 2.50 0.06 9.09 -2.14 -0.56 -3.45 118.94 126.10 1x5a s TRP 30 Ca -0.03 -1.96 0.05 0.00 2.66 0.00 0.00 56.10 56.83 1x5a s TRP 30 Cb -0.12 -1.82 -0.03 0.00 -3.10 0.00 0.00 33.47 28.40 1x5a s TRP 30 CO -0.04 -0.82 -0.14 0.00 -2.66 0.00 0.00 176.95 173.29 1x5a s ALA 31 N 1.35 1.12 0.32 2.67 0.00 -1.26 -4.79 121.76 121.16 1x5a s ALA 31 Ca -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1x5a s ALA 31 Cb -0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1x5a s ALA 31 CO -0.10 0.17 0.40 0.20 0.00 0.00 0.00 175.76 176.43 1x5a s GLY 32 N -1.47 1.61 -0.17 0.00 0.00 -1.26 -4.83 107.32 101.19 1x5a s GLY 32 Ca -0.01 -1.62 -0.35 0.00 0.00 0.00 0.00 44.72 42.74 1x5a s GLY 32 CO 0.02 -1.12 1.92 1.44 0.00 0.00 0.00 173.10 175.36 1x5a n SER 33 N -1.25 3.05 -4.77 1.64 7.64 -1.26 -4.95 113.62 113.73 1x5a n SER 33 Ca 0.02 0.87 -0.36 0.00 1.01 0.00 0.00 58.87 60.41 1x5a n SER 33 Cb 0.62 -1.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.42 1x5a n SER 33 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x5a s ARG 34 N 4.44 3.80 0.90 1.43 3.52 -1.26 -5.03 118.95 126.76 1x5a s ARG 34 Ca 0.97 -0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 56.23 1x5a s ARG 34 Cb -0.77 -3.26 0.13 0.00 -1.56 0.00 0.00 34.95 29.49 1x5a s ARG 34 CO 0.53 0.50 1.09 -1.25 -0.81 0.00 0.00 175.30 175.36 1x5a s PRO 35 N -0.23 1.19 0.16 5.12 0.04 -1.26 -4.95 135.00 135.06 1x5a s PRO 35 Ca 0.10 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1x5a s PRO 35 Cb -0.12 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1x5a s PRO 35 CO 0.01 -2.28 1.70 -0.09 0.04 0.00 0.00 177.00 176.37 1x5a h ARG 36 N -1.58 0.08 -3.32 4.56 2.43 -2.06 -3.38 114.38 111.12 1x5a h ARG 36 Ca -0.50 -0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.14 1x5a h ARG 36 Cb 1.29 -0.02 -0.40 0.00 -0.42 0.00 0.00 29.97 30.42 1x5a h ARG 36 CO 0.55 0.05 -0.76 1.21 -1.51 0.00 0.00 179.97 179.51 1x5a s ASN 37 N -5.25 3.23 -0.01 -3.80 2.47 -1.26 -5.02 114.94 105.30 1x5a s ASN 37 Ca -0.13 -1.08 -0.25 0.00 0.42 0.00 0.00 52.86 51.82 1x5a s ASN 37 Cb 0.13 -0.56 -0.19 0.00 -1.45 0.00 0.00 41.25 39.18 1x5a s ASN 37 CO 0.70 -0.37 1.29 1.55 -3.72 0.00 0.00 177.10 176.55 1x5a h PRO 38 N 8.27 0.08 -3.10 0.43 0.13 -1.99 -3.50 132.00 132.33 1x5a h PRO 38 Ca -0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1x5a h PRO 38 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1x5a h PRO 38 CO 0.38 0.55 -0.33 0.41 -0.23 0.00 0.00 178.00 178.78 1x5a n GLY 39 N 0.22 -3.57 0.00 1.56 0.00 -1.26 -5.05 105.19 97.09 1x5a n GLY 39 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.45 0.91 3.42 -0.02 0.00 -1.26 -4.90 105.19 103.79 1x5a n GLY 40 Ca -0.06 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 43.99 1x5a n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5a s ASN 41 N -0.59 6.45 0.73 1.61 -0.87 -1.26 -5.03 114.94 115.97 1x5a s ASN 41 Ca 0.00 -1.76 -0.11 0.00 -1.57 0.00 0.00 52.86 49.42 1x5a s ASN 41 Cb 0.00 -2.36 0.03 0.00 -0.02 0.00 0.00 41.25 38.90 1x5a s ASN 41 CO 0.00 -1.10 1.07 -0.76 -2.57 0.00 0.00 177.10 173.74 1x5a s LEU 42 N 2.68 3.06 0.49 0.60 1.43 -1.26 -5.08 118.68 120.61 1x5a s LEU 42 Ca 0.24 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1x5a s LEU 42 Cb -0.12 -4.47 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1x5a s LEU 42 CO -0.02 -1.69 0.08 -0.44 0.23 0.00 0.00 176.35 174.52 1x5a s SER 43 N -3.66 4.20 -0.02 2.29 0.01 -1.26 -4.98 113.70 110.28 1x5a s SER 43 Ca 0.59 -1.49 0.01 0.00 1.31 0.00 0.00 55.95 56.37 1x5a s SER 43 Cb -0.15 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1x5a s SER 43 CO 0.55 -0.80 -0.01 -0.31 0.41 0.00 0.00 173.24 173.08 1x5a s TYR 44 N -2.81 0.32 -0.27 2.43 2.02 -0.75 -2.56 117.35 115.73 1x5a s TYR 44 Ca 0.18 -0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 1x5a s TYR 44 Cb 0.03 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1x5a s TYR 44 CO 0.10 -0.09 0.24 -2.00 -1.57 0.00 0.00 175.55 172.23 1x5a s GLU 45 N 0.67 3.99 -0.14 -0.62 2.56 0.16 -0.44 118.70 124.88 1x5a s GLU 45 Ca -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.97 54.67 1x5a s GLU 45 Cb -0.10 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.36 1x5a s GLU 45 CO -0.01 -0.17 -0.03 -1.17 -0.56 0.00 0.00 175.26 173.32 1x5a s LEU 46 N 1.74 3.32 -0.19 2.70 1.98 -0.64 -2.14 118.68 125.46 1x5a s LEU 46 Ca 0.10 -0.07 -0.02 0.00 -2.89 0.00 0.00 54.13 51.24 1x5a s LEU 46 Cb -0.16 -1.79 0.06 0.00 0.66 0.00 0.00 46.19 44.96 1x5a s LEU 46 CO 0.10 0.22 0.02 -2.28 -1.89 0.00 0.00 176.35 172.52 1x5a s HIS 47 N 0.08 1.10 -0.15 5.38 5.65 -0.60 0.37 115.29 127.12 1x5a s HIS 47 Ca 0.00 -0.87 -0.05 0.00 0.25 0.00 0.00 55.06 54.39 1x5a s HIS 47 Cb -0.13 -1.05 -0.04 0.00 -1.18 0.00 0.00 32.58 30.18 1x5a s HIS 47 CO 0.03 -0.60 0.03 0.08 -0.65 0.00 0.00 174.74 173.62 1x5a s VAL 48 N 1.83 4.50 0.25 0.89 1.01 0.77 -2.19 120.40 127.47 1x5a s VAL 48 Ca -0.01 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1x5a s VAL 48 Cb -0.17 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1x5a s VAL 48 CO -0.08 0.52 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 1x5a s LEU 49 N -0.07 2.55 0.00 3.92 1.02 0.44 -0.54 118.68 125.99 1x5a s LEU 49 Ca 0.05 -1.10 -0.03 0.00 0.02 0.00 0.00 54.13 53.07 1x5a s LEU 49 Cb -0.12 -0.76 0.01 0.00 0.02 0.00 0.00 46.19 45.34 1x5a s LEU 49 CO 0.02 -0.20 0.43 -3.20 0.02 0.00 0.00 176.35 173.42 1x5a n ASN 50 N -0.52 -1.21 -0.02 2.29 5.15 0.43 -1.40 115.26 119.98 1x5a n ASN 50 Ca -0.06 -2.44 -0.15 0.00 -0.60 0.00 0.00 54.58 51.33 1x5a n ASN 50 Cb 0.62 2.20 -0.10 0.00 -0.53 0.00 0.00 39.78 41.96 1x5a n ASN 50 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1x5a h GLN 51 N 0.00 -0.54 0.00 1.20 4.20 -2.02 -3.26 115.11 114.69 1x5a h GLN 51 Ca -0.22 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1x5a h GLN 51 Cb 0.94 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 1x5a h GLN 51 CO 0.30 -0.36 -0.38 -0.25 -0.67 0.00 0.00 178.83 177.47 1x5a n ASP 52 N -5.38 1.42 -3.71 1.46 8.00 -1.26 -5.00 116.55 112.07 1x5a n ASP 52 Ca -0.06 -2.82 -0.24 0.00 0.71 0.00 0.00 54.79 52.38 1x5a n ASP 52 Cb 0.37 -0.37 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.80 0.40 -0.17 -1.24 2.02 -1.23 -5.12 118.70 111.56 1x5a s GLU 53 Ca 0.25 -0.02 -0.00 0.00 0.02 0.00 0.00 54.97 55.22 1x5a s GLU 53 Cb 0.24 -1.36 0.04 0.00 0.10 0.00 0.00 34.13 33.15 1x5a s GLU 53 CO -0.03 -0.47 -0.07 -2.00 0.02 0.00 0.00 175.26 172.71 1x5a s GLU 54 N 2.01 1.66 0.04 1.61 2.12 -1.26 0.16 118.70 125.04 1x5a s GLU 54 Ca 0.03 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1x5a s GLU 54 Cb -0.14 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.16 1x5a s GLU 54 CO -0.06 -0.40 -0.04 1.67 -0.54 0.00 0.00 175.26 175.89 1x5a s TRP 55 N 1.57 0.50 -0.01 5.30 -2.14 0.30 -5.01 118.94 119.45 1x5a s TRP 55 Ca 0.01 -0.76 -0.02 0.00 2.66 0.00 0.00 56.10 57.99 1x5a s TRP 55 Cb -0.15 -0.33 -0.00 0.00 -3.10 0.00 0.00 33.47 29.88 1x5a s TRP 55 CO -0.08 -0.23 0.04 -3.38 -2.66 0.00 0.00 176.95 170.64 1x5a s HIS 56 N -2.56 0.03 -0.13 1.66 -3.43 -1.26 -0.16 115.29 109.43 1x5a s HIS 56 Ca -0.04 -0.04 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 1x5a s HIS 56 Cb -0.02 -0.04 0.04 0.00 -1.43 0.00 0.00 32.58 31.14 1x5a s HIS 56 CO -0.04 -0.10 0.33 1.14 -2.00 0.00 0.00 174.74 174.07 1x5a s GLN 57 N -0.48 0.34 -0.18 -0.38 -2.07 0.16 -4.98 119.66 112.07 1x5a s GLN 57 Ca -0.05 0.57 -0.27 0.00 -1.82 0.00 0.00 55.36 53.78 1x5a s GLN 57 Cb -0.03 0.05 -0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1x5a s GLN 57 CO -0.00 -0.11 0.94 1.41 -1.32 0.00 0.00 175.29 176.21 1x5a s MET 58 N 0.79 4.30 -0.04 9.60 -2.45 -1.26 -1.62 119.30 128.62 1x5a s MET 58 Ca -0.05 1.20 0.01 0.00 -1.25 0.00 0.00 55.69 55.60 1x5a s MET 58 Cb -0.06 -3.60 -0.03 0.00 1.25 0.00 0.00 34.83 32.39 1x5a s MET 58 CO -0.05 -0.44 -0.02 0.14 1.05 0.00 0.00 175.02 175.69 1x5a s VAL 59 N 2.54 4.07 -0.60 10.11 -7.23 0.42 -4.91 120.40 124.79 1x5a s VAL 59 Ca 0.42 -0.50 0.14 0.00 -1.81 0.00 0.00 61.98 60.23 1x5a s VAL 59 Cb -0.16 -2.75 0.73 0.00 0.56 0.00 0.00 36.38 34.75 1x5a s VAL 59 CO 0.11 0.48 1.62 0.18 -0.31 0.00 0.00 175.10 177.18 1x5a n LEU 60 N 1.76 5.06 -4.02 1.32 4.77 -1.26 -1.81 117.00 122.82 1x5a n LEU 60 Ca -0.16 -2.57 -0.11 0.00 -0.03 0.00 0.00 56.01 53.14 1x5a n LEU 60 Cb 0.53 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 1x5a n LEU 60 CO 0.31 0.65 -0.38 -1.83 -1.33 0.00 0.00 177.39 174.81 1x5a s GLU 61 N -2.36 0.43 0.00 3.23 1.03 -1.26 -4.93 118.70 114.84 1x5a s GLU 61 Ca 0.49 -0.72 0.09 0.00 0.03 0.00 0.00 54.97 54.87 1x5a s GLU 61 Cb 0.36 -0.07 0.55 0.00 -0.80 0.00 0.00 34.13 34.17 1x5a s GLU 61 CO 0.17 -0.01 0.99 -0.35 -1.33 0.00 0.00 175.26 174.74 1x5a n PRO 62 N 1.44 0.49 -4.31 -4.83 -0.04 -1.26 -4.62 135.00 121.86 1x5a n PRO 62 Ca -0.23 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 1x5a n PRO 62 Cb 0.55 -1.30 -0.15 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 0.85 -0.04 0.54 1.70 -1.26 -1.50 118.95 117.24 1x5a s ARG 63 Ca 0.14 -0.25 0.04 0.00 -0.47 0.00 0.00 55.73 55.19 1x5a s ARG 63 Cb 0.06 -0.81 -0.00 0.00 -0.57 0.00 0.00 34.95 33.63 1x5a s ARG 63 CO 0.11 0.08 -0.17 0.54 -1.08 0.00 0.00 175.30 174.78 1x5a s VAL 64 N 0.28 1.40 -0.32 4.99 0.11 -1.07 -4.98 120.40 120.80 1x5a s VAL 64 Ca -0.04 -0.70 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1x5a s VAL 64 Cb -0.09 -1.20 0.05 0.00 -1.53 0.00 0.00 36.38 33.61 1x5a s VAL 64 CO 0.00 0.40 0.06 -0.22 -3.33 0.00 0.00 175.10 172.02 1x5a s LEU 65 N 0.01 4.17 -0.03 2.54 1.98 -1.26 -2.43 118.68 123.66 1x5a s LEU 65 Ca -0.03 -1.27 -0.12 0.00 -2.89 0.00 0.00 54.13 49.82 1x5a s LEU 65 Cb -0.11 -1.79 -0.05 0.00 0.66 0.00 0.00 46.19 44.90 1x5a s LEU 65 CO 0.02 -0.31 0.33 -0.76 -1.89 0.00 0.00 176.35 173.74 1x5a s LEU 66 N 1.31 4.45 0.37 -0.68 1.43 -0.65 -4.98 118.68 119.93 1x5a s LEU 66 Ca -0.03 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 53.94 1x5a s LEU 66 Cb -0.20 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1x5a s LEU 66 CO 0.00 0.35 0.17 0.42 0.23 0.00 0.00 176.35 177.53 1x5a s THR 67 N -1.07 0.39 -1.25 5.49 -4.23 -1.26 -2.03 115.64 111.68 1x5a s THR 67 Ca 0.21 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1x5a s THR 67 Cb -0.15 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1x5a s THR 67 CO 0.11 0.00 1.02 0.29 -0.54 0.00 0.00 174.62 175.50 1x5a n LYS 68 N -0.79 -6.81 -3.68 3.99 5.02 -1.19 -4.93 118.16 109.77 1x5a n LYS 68 Ca -0.01 0.83 -0.21 0.00 -2.02 0.00 0.00 58.31 56.89 1x5a n LYS 68 Cb 0.64 -5.83 -0.04 0.00 -0.02 0.00 0.00 35.03 29.79 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 -6.60 3.41 -0.09 -0.35 1.43 -1.24 -5.05 118.68 110.19 1x5a s LEU 69 Ca 0.14 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 1x5a s LEU 69 Cb -0.06 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1x5a s LEU 69 CO 0.74 -0.57 0.14 -1.10 0.23 0.00 0.00 176.35 175.79 1x5a s GLN 70 N -4.07 3.40 0.24 1.70 -0.21 -1.25 -4.35 119.66 115.12 1x5a s GLN 70 Ca 0.46 -0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.34 1x5a s GLN 70 Cb -0.03 -3.13 -0.09 0.00 1.00 0.00 0.00 33.01 30.75 1x5a s GLN 70 CO 0.27 0.75 1.27 -1.25 -2.12 0.00 0.00 175.29 174.21 1x5a s PRO 71 N -1.25 4.42 -1.01 2.91 0.04 -0.67 -3.64 135.00 135.80 1x5a s PRO 71 Ca 0.18 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1x5a s PRO 71 Cb -0.12 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1x5a s PRO 71 CO 0.08 -0.16 0.86 -3.47 0.04 0.00 0.00 177.00 174.35 1x5a n ASP 72 N 1.94 -4.08 -3.81 6.66 2.03 -1.16 -4.82 116.55 113.32 1x5a n ASP 72 Ca 0.03 -0.59 -0.13 0.00 0.52 0.00 0.00 54.79 54.62 1x5a n ASP 72 Cb 0.43 -4.68 -0.14 0.00 -0.72 0.00 0.00 41.12 36.01 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 -3.34 -0.02 -0.05 5.18 2.01 -1.24 -4.98 115.64 113.20 1x5a s THR 73 Ca 0.20 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1x5a s THR 73 Cb -0.03 -0.11 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1x5a s THR 73 CO 0.66 0.03 1.17 -0.89 -0.69 0.00 0.00 174.62 174.90 1x5a s THR 74 N 0.48 4.31 -0.15 -0.82 2.01 -1.26 -2.87 115.64 117.34 1x5a s THR 74 Ca -0.04 1.64 0.01 0.00 0.31 0.00 0.00 61.69 63.61 1x5a s THR 74 Cb -0.05 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1x5a s THR 74 CO -0.02 0.02 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.45 1x5a s TYR 75 N 2.05 2.35 0.02 4.92 2.02 -0.61 -4.57 117.35 123.53 1x5a s TYR 75 Ca 0.55 -1.28 -0.18 0.00 -0.37 0.00 0.00 57.07 55.79 1x5a s TYR 75 Cb -0.24 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1x5a s TYR 75 CO 0.22 -0.66 0.51 0.42 -1.57 0.00 0.00 175.55 174.48 1x5a s ILE 76 N 1.25 4.89 0.02 2.71 -1.09 -0.49 -3.35 121.20 125.14 1x5a s ILE 76 Ca 0.01 1.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1x5a s ILE 76 Cb -0.14 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1x5a s ILE 76 CO -0.08 0.53 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.44 1x5a s VAL 77 N -0.83 0.10 -0.20 2.92 1.01 -1.25 -0.42 120.40 121.73 1x5a s VAL 77 Ca 0.27 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1x5a s VAL 77 Cb -0.18 -0.24 0.07 0.00 0.00 0.00 0.00 36.38 36.04 1x5a s VAL 77 CO 0.16 -0.45 0.46 0.00 0.00 0.00 0.00 175.10 175.28 1x5a s ARG 78 N -1.31 0.43 0.05 2.72 1.70 -0.93 -3.53 118.95 118.08 1x5a s ARG 78 Ca -0.14 0.94 0.08 0.00 -0.47 0.00 0.00 55.73 56.14 1x5a s ARG 78 Cb -0.09 0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 1x5a s ARG 78 CO -0.01 -0.18 -0.24 0.54 -1.08 0.00 0.00 175.30 174.34 1x5a s VAL 79 N 1.76 1.90 0.02 4.99 0.11 -1.26 -1.56 120.40 126.36 1x5a s VAL 79 Ca -0.08 -1.31 -0.14 0.00 -2.93 0.00 0.00 61.98 57.53 1x5a s VAL 79 Cb -0.09 -1.64 0.02 0.00 -1.53 0.00 0.00 36.38 33.14 1x5a s VAL 79 CO -0.14 0.27 0.29 0.00 -3.33 0.00 0.00 175.10 172.19 1x5a s ARG 80 N -1.24 0.72 0.09 1.54 1.70 -0.91 -4.00 118.95 116.85 1x5a s ARG 80 Ca 0.10 -0.38 -0.26 0.00 -0.47 0.00 0.00 55.73 54.72 1x5a s ARG 80 Cb -0.09 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 1x5a s ARG 80 CO 0.02 -0.21 0.80 0.99 -1.08 0.00 0.00 175.30 175.82 1x5a s THR 81 N -1.98 4.60 0.30 4.99 2.01 -1.26 -0.67 115.64 123.63 1x5a s THR 81 Ca -0.09 1.73 -0.21 0.00 0.31 0.00 0.00 61.69 63.43 1x5a s THR 81 Cb -0.03 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1x5a s THR 81 CO 0.00 0.39 0.83 -0.76 -0.69 0.00 0.00 174.62 174.39 1x5a s LEU 82 N -0.31 4.26 0.06 4.42 2.01 -1.06 -3.65 118.68 124.41 1x5a s LEU 82 Ca 0.39 1.58 0.02 0.00 0.01 0.00 0.00 54.13 56.14 1x5a s LEU 82 Cb -0.22 -3.91 -0.03 0.00 0.01 0.00 0.00 46.19 42.04 1x5a s LEU 82 CO 0.25 -0.08 -0.08 0.42 1.01 0.00 0.00 176.35 177.87 1x5a s THR 83 N -1.69 0.64 0.14 5.49 -4.23 -1.26 -4.64 115.64 110.08 1x5a s THR 83 Ca 0.49 -1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1x5a s THR 83 Cb -0.16 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.75 1x5a s THR 83 CO 0.20 -0.47 1.47 1.55 -0.54 0.00 0.00 174.62 176.84 1x5a h PRO 84 N 4.14 0.93 -3.75 3.99 0.13 -2.02 -3.40 132.00 132.03 1x5a h PRO 84 Ca -0.36 -0.49 -0.62 0.00 -0.87 0.00 0.00 66.00 63.65 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 0.46 1.15 -0.72 -0.51 -0.23 0.00 0.00 178.00 178.15 1x5a s LEU 85 N -8.89 3.53 0.00 1.56 1.43 -1.26 -4.93 118.68 110.12 1x5a s LEU 85 Ca -0.11 -2.29 0.00 0.00 -1.03 0.00 0.00 54.13 50.70 1x5a s LEU 85 Cb 0.11 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1x5a s LEU 85 CO 0.88 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.73 1x5a n GLY 86 N 4.03 -2.74 3.77 -3.19 0.00 -1.26 -5.02 105.19 100.78 1x5a n GLY 86 Ca 0.04 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.11 4.06 0.94 1.61 0.04 -1.26 -4.73 135.00 135.56 1x5a s PRO 87 Ca 0.00 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1x5a s PRO 87 Cb 0.00 -2.71 0.16 0.00 0.04 0.00 0.00 34.50 31.99 1x5a s PRO 87 CO 0.00 -0.33 1.13 0.20 0.04 0.00 0.00 177.00 178.05 1x5a s GLY 88 N -1.05 1.68 0.43 0.56 0.00 -1.24 -4.96 107.32 102.73 1x5a s GLY 88 Ca 0.56 0.52 -0.24 0.00 0.00 0.00 0.00 44.72 45.56 1x5a s GLY 88 CO 0.41 0.97 1.18 2.56 0.00 0.00 0.00 173.10 178.21 1x5a s PRO 89 N -4.63 3.92 0.24 2.90 0.04 -1.26 -4.87 135.00 131.33 1x5a s PRO 89 Ca 0.67 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 1x5a s PRO 89 Cb -0.23 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.66 1x5a s PRO 89 CO 0.59 -0.44 1.20 -0.06 0.04 0.00 0.00 177.00 178.33 1x5a s PHE 90 N -1.46 3.39 0.74 0.56 0.08 -1.26 -4.86 117.98 115.17 1x5a s PHE 90 Ca 0.60 1.48 -0.15 0.00 0.12 0.00 0.00 56.93 58.97 1x5a s PHE 90 Cb -0.30 -3.45 0.01 0.00 -0.57 0.00 0.00 43.02 38.71 1x5a s PHE 90 CO 0.38 -1.19 0.91 -1.13 -0.10 0.00 0.00 175.22 174.08 1x5a n SER 91 N 1.89 0.20 -4.73 1.36 3.41 -1.26 -4.92 113.62 109.57 1x5a n SER 91 Ca 0.02 0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 58.85 1x5a n SER 91 Cb 0.44 -1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 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 -3.35 4.38 -0.45 4.33 0.04 -1.26 -4.85 135.00 133.83 1x5a s PRO 92 Ca 0.71 2.04 -0.40 0.00 0.04 0.00 0.00 61.00 63.40 1x5a s PRO 92 Cb -0.33 -3.21 -0.17 0.00 0.04 0.00 0.00 34.50 30.82 1x5a s PRO 92 CO 0.52 -0.28 1.94 -0.25 0.04 0.00 0.00 177.00 178.97 1x5a n ASP 93 N 2.91 0.69 -4.49 6.66 8.00 -1.26 -4.84 116.55 124.22 1x5a n ASP 93 Ca 0.07 0.63 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 1x5a n ASP 93 Cb 0.43 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1x5a s HIS 94 N 5.40 3.00 -0.34 1.24 3.76 -1.23 -5.00 115.29 122.13 1x5a s HIS 94 Ca 1.09 -0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 55.45 1x5a s HIS 94 Cb -1.36 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 28.72 1x5a s HIS 94 CO 0.60 -1.04 1.81 -1.21 -0.85 0.00 0.00 174.74 174.06 1x5a s GLU 95 N 2.96 3.30 0.14 1.40 2.02 -1.26 -3.88 118.70 123.39 1x5a s GLU 95 Ca 0.21 1.42 0.11 0.00 0.02 0.00 0.00 54.97 56.72 1x5a s GLU 95 Cb -0.16 -4.21 -0.04 0.00 0.10 0.00 0.00 34.13 29.82 1x5a s GLU 95 CO 0.16 -1.90 -0.24 -0.06 0.02 0.00 0.00 175.26 173.24 1x5a s PHE 96 N 7.02 2.35 -0.10 1.61 0.08 -1.21 -5.03 117.98 122.70 1x5a s PHE 96 Ca 0.80 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1x5a s PHE 96 Cb -0.22 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 1x5a s PHE 96 CO 0.33 0.39 -0.08 0.50 -0.10 0.00 0.00 175.22 176.25 1x5a s ARG 97 N -2.23 1.54 0.95 0.44 3.52 -1.26 -1.57 118.95 120.33 1x5a s ARG 97 Ca 0.16 -0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 55.36 1x5a s ARG 97 Cb -0.10 -1.52 0.16 0.00 -1.56 0.00 0.00 34.95 31.93 1x5a s ARG 97 CO 0.08 -0.20 1.09 0.95 -0.81 0.00 0.00 175.30 176.41 1x5a s THR 98 N 1.45 2.41 0.21 4.11 -4.23 -1.14 -4.95 115.64 113.50 1x5a s THR 98 Ca 0.00 0.13 -0.31 0.00 -1.18 0.00 0.00 61.69 60.34 1x5a s THR 98 Cb -0.13 -2.58 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 1x5a s THR 98 CO -0.05 -0.17 1.52 -0.55 -0.54 0.00 0.00 174.62 174.82 1x5a s SER 99 N -3.35 6.60 0.49 3.99 0.15 -1.11 -4.30 113.70 116.16 1x5a s SER 99 Ca 0.64 2.66 -0.22 0.00 0.70 0.00 0.00 55.95 59.74 1x5a s SER 99 Cb -0.19 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.45 1x5a s SER 99 CO 0.58 -0.78 1.15 -2.16 1.20 0.00 0.00 173.24 173.22 1x5a s PRO 100 N 0.42 3.60 1.00 5.44 0.04 -1.26 -2.96 135.00 141.28 1x5a s PRO 100 Ca 0.65 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1x5a s PRO 100 Cb -0.43 -2.25 0.19 0.00 0.04 0.00 0.00 34.50 32.05 1x5a s PRO 100 CO 0.37 -0.67 1.09 -1.25 0.04 0.00 0.00 177.00 176.58 1x5a s PRO 101 N -2.93 0.43 0.09 0.56 0.04 -1.26 -4.89 135.00 127.04 1x5a s PRO 101 Ca 0.67 0.52 -0.34 0.00 0.04 0.00 0.00 61.00 61.90 1x5a s PRO 101 Cb -0.27 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 1x5a s PRO 101 CO 0.31 -2.73 1.70 0.43 0.04 0.00 0.00 177.00 176.75 1x5a n SER 102 N -4.18 3.33 -4.36 6.66 7.64 -1.26 -4.97 113.62 116.48 1x5a n SER 102 Ca 0.05 1.04 -0.29 0.00 1.01 0.00 0.00 58.87 60.68 1x5a n SER 102 Cb 0.57 -1.43 0.16 0.00 -1.01 0.00 0.00 64.21 62.50 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 2.00 1.74 -1.02 0.23 0.00 -1.26 -4.93 107.32 104.08 1x5a s GLY 103 Ca 0.83 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.18 1x5a s GLY 103 CO 0.41 -0.45 1.94 2.56 0.00 0.00 0.00 173.10 177.57 1x5a s PRO 104 N -5.73 2.52 0.07 2.90 0.04 -1.26 -4.52 135.00 129.02 1x5a s PRO 104 Ca 0.70 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1x5a s PRO 104 Cb -0.06 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1x5a s PRO 104 CO 0.51 -3.63 0.00 0.45 0.04 0.00 0.00 177.00 174.37 1x5a n SER 105 N 14.17 0.53 -0.27 6.66 2.88 -1.26 -4.86 113.62 131.47 1x5a n SER 105 Ca 0.42 0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1x5a n SER 105 Cb 0.47 -0.13 -0.09 0.00 -0.75 0.00 0.00 64.21 63.71 1x5a n SER 105 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5a h SER 106 N 0.00 -1.94 0.00 -3.46 0.87 -2.00 -3.57 113.55 103.45 1x5a h SER 106 Ca 0.00 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1x5a h SER 106 Cb 0.00 0.83 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1x5a h SER 106 CO 0.00 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.58