#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 -0.46 0.05 1.61 0.01 -1.26 -5.18 113.70 108.46 1x5a s SER 2 Ca 0.00 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 1x5a s SER 2 Cb 0.00 0.49 0.09 0.00 0.21 0.00 0.00 66.02 66.81 1x5a s SER 2 CO 0.00 -0.68 1.02 -0.94 0.41 0.00 0.00 173.24 173.05 1x5a s SER 3 N -1.77 -0.20 0.00 2.44 1.04 -1.26 -5.19 113.70 108.76 1x5a s SER 3 Ca -0.07 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1x5a s SER 3 Cb -0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x5a s SER 3 CO 0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1x5a n GLY 4 N -0.38 2.46 3.87 7.32 0.00 -1.26 -5.16 105.19 112.05 1x5a n GLY 4 Ca -0.07 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 6.16 0.38 1.61 0.01 -1.26 -5.12 113.70 115.48 1x5a s SER 5 Ca 0.00 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.60 1x5a s SER 5 Cb 0.00 -1.88 -0.06 0.00 0.21 0.00 0.00 66.02 64.29 1x5a s SER 5 CO 0.00 0.24 0.03 -0.94 0.41 0.00 0.00 173.24 172.98 1x5a s SER 6 N -2.04 4.07 0.00 2.44 1.04 -1.26 -5.02 113.70 112.93 1x5a s SER 6 Ca 0.28 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1x5a s SER 6 Cb -0.13 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1x5a s SER 6 CO 0.20 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x5a n GLY 7 N -1.00 0.71 1.97 7.32 0.00 -1.26 -5.01 105.19 107.92 1x5a n GLY 7 Ca -0.04 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a n ALA 8 N 0.00 5.33 -2.26 4.61 0.00 -1.26 -4.94 120.51 122.00 1x5a n ALA 8 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 53.44 51.31 1x5a n ALA 8 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 1x5a n ALA 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x5a s GLU 9 N -1.30 4.39 0.21 0.00 2.12 -1.26 -4.97 118.70 117.88 1x5a s GLU 9 Ca 0.35 1.93 -0.30 0.00 0.36 0.00 0.00 54.97 57.31 1x5a s GLU 9 Cb 0.24 -3.29 -0.10 0.00 0.26 0.00 0.00 34.13 31.25 1x5a s GLU 9 CO -0.05 -0.32 1.43 -1.12 -0.54 0.00 0.00 175.26 174.66 1x5a s SER 10 N 0.96 6.71 -0.02 -1.70 0.01 -1.26 -4.91 113.70 113.49 1x5a s SER 10 Ca 0.61 2.56 -0.04 0.00 1.31 0.00 0.00 55.95 60.39 1x5a s SER 10 Cb -0.33 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.27 1x5a s SER 10 CO 0.31 -0.68 0.35 0.17 0.41 0.00 0.00 173.24 173.79 1x5a h LEU 11 N 5.67 -0.11 -3.62 2.44 -0.00 -1.93 -3.40 115.31 114.36 1x5a h LEU 11 Ca -0.45 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.03 1x5a h LEU 11 Cb 1.21 0.03 -0.33 0.00 -0.00 0.00 0.00 40.66 41.57 1x5a h LEU 11 CO 0.81 0.03 -0.76 -0.24 -0.00 0.00 0.00 178.44 178.29 1x5a n SER 12 N -2.97 4.05 -1.51 0.17 2.88 -1.26 -4.93 113.62 110.05 1x5a n SER 12 Ca -0.02 -3.72 -0.03 0.00 -1.33 0.00 0.00 58.87 53.77 1x5a n SER 12 Cb 0.05 -0.39 0.02 0.00 -0.75 0.00 0.00 64.21 63.14 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 -0.79 0.30 2.72 0.46 0.00 -1.26 -4.73 105.19 101.89 1x5a n GLY 13 Ca 0.37 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.64 3.64 -4.62 0.99 4.77 -1.26 -2.20 117.00 116.68 1x5a n LEU 14 Ca -0.05 -5.42 -0.43 0.00 -0.03 0.00 0.00 56.01 50.07 1x5a n LEU 14 Cb 0.53 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1x5a n LEU 14 CO 0.12 2.30 1.10 -0.55 -1.33 0.00 0.00 177.39 179.04 1x5a s SER 15 N -3.25 6.64 -0.56 -1.43 0.15 -1.26 -4.89 113.70 109.09 1x5a s SER 15 Ca 0.46 0.96 -0.26 0.00 0.70 0.00 0.00 55.95 57.81 1x5a s SER 15 Cb 0.31 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1x5a s SER 15 CO -0.13 -1.15 2.14 -0.76 1.20 0.00 0.00 173.24 174.54 1x5a s LEU 16 N 4.48 3.34 0.00 3.45 1.43 -1.26 -4.55 118.68 125.57 1x5a s LEU 16 Ca 0.54 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 54.12 1x5a s LEU 16 Cb -0.13 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 1x5a s LEU 16 CO 0.25 -2.66 0.53 -0.75 0.23 0.00 0.00 176.35 173.95 1x5a s LYS 17 N 7.67 4.20 -0.97 1.70 2.47 -1.16 -4.97 119.74 128.68 1x5a s LYS 17 Ca 0.82 0.62 -0.15 0.00 -1.56 0.00 0.00 55.97 55.70 1x5a s LYS 17 Cb -0.15 -3.30 0.18 0.00 -1.46 0.00 0.00 37.83 33.10 1x5a s LYS 17 CO 0.23 0.49 1.08 -1.17 0.16 0.00 0.00 175.35 176.14 1x5a s LEU 18 N -0.54 5.66 0.02 5.43 2.96 -1.26 -3.03 118.68 127.93 1x5a s LEU 18 Ca 0.28 -2.57 -0.09 0.00 -0.22 0.00 0.00 54.13 51.53 1x5a s LEU 18 Cb -0.18 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1x5a s LEU 18 CO 0.16 -0.78 1.14 -0.37 -1.32 0.00 0.00 176.35 175.18 1x5a h VAL 19 N 5.09 0.00 -4.27 1.68 -1.51 -1.94 -3.44 116.25 111.86 1x5a h VAL 19 Ca 0.18 0.00 -0.55 0.00 -1.23 0.00 0.00 66.70 65.10 1x5a h VAL 19 Cb 0.98 0.00 -0.30 0.00 -2.13 0.00 0.00 31.29 29.85 1x5a h VAL 19 CO 1.02 0.00 -0.83 -0.75 -1.23 0.00 0.00 177.57 175.78 1x5a s LYS 20 N -3.72 1.47 -0.44 5.19 2.20 -1.26 -5.08 119.74 118.10 1x5a s LYS 20 Ca -0.04 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1x5a s LYS 20 Cb 0.01 -1.40 0.12 0.00 -1.51 0.00 0.00 37.83 35.05 1x5a s LYS 20 CO 0.15 0.36 0.24 0.21 -0.36 0.00 0.00 175.35 175.95 1x5a s LYS 21 N -0.35 2.09 0.16 4.03 2.20 -1.26 -3.66 119.74 122.94 1x5a s LYS 21 Ca 0.05 -1.90 0.06 0.00 -0.36 0.00 0.00 55.97 53.82 1x5a s LYS 21 Cb -0.07 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1x5a s LYS 21 CO -0.00 -1.09 0.09 -1.21 -0.36 0.00 0.00 175.35 172.77 1x5a s GLU 22 N 1.01 2.74 0.53 4.03 2.02 -0.60 -4.09 118.70 124.34 1x5a s GLU 22 Ca 0.09 -0.94 0.32 0.00 0.02 0.00 0.00 54.97 54.46 1x5a s GLU 22 Cb -0.23 -2.56 1.32 0.00 0.10 0.00 0.00 34.13 32.77 1x5a s GLU 22 CO -0.04 0.48 1.97 -1.00 0.02 0.00 0.00 175.26 176.69 1x5a h PRO 23 N 2.54 0.00 0.00 0.39 0.13 -1.89 -3.24 132.00 129.92 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x5a h PRO 23 CO 0.62 0.06 0.00 0.54 -0.23 0.00 0.00 178.00 178.98 1x5a n ARG 24 N -3.19 3.96 -4.29 0.86 1.74 -1.26 -1.39 116.66 113.08 1x5a n ARG 24 Ca 0.00 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.86 1x5a n ARG 24 Cb 0.32 -0.33 -0.11 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.57 1.16 -0.30 5.56 -0.44 -1.22 -0.80 119.66 123.05 1x5a s GLN 25 Ca 0.00 -1.32 -0.09 0.00 -2.50 0.00 0.00 55.36 51.44 1x5a s GLN 25 Cb 0.00 -1.16 0.14 0.00 -1.64 0.00 0.00 33.01 30.35 1x5a s GLN 25 CO 0.00 0.23 0.65 -0.51 0.50 0.00 0.00 175.29 176.16 1x5a s LEU 26 N -2.53 -1.17 0.12 3.68 1.43 0.11 -1.55 118.68 118.77 1x5a s LEU 26 Ca 0.12 1.50 0.09 0.00 -1.03 0.00 0.00 54.13 54.82 1x5a s LEU 26 Cb -0.06 2.29 -0.04 0.00 0.03 0.00 0.00 46.19 48.41 1x5a s LEU 26 CO 0.05 -0.22 -0.19 -0.70 0.23 0.00 0.00 176.35 175.52 1x5a s GLU 27 N 2.89 1.75 0.04 1.70 2.12 -1.24 -1.11 118.70 124.85 1x5a s GLU 27 Ca -0.03 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.10 1x5a s GLU 27 Cb -0.12 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 1x5a s GLU 27 CO -0.19 0.48 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.46 1x5a s LEU 28 N -2.14 2.33 -0.04 2.70 1.43 -1.15 -3.55 118.68 118.26 1x5a s LEU 28 Ca 0.18 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1x5a s LEU 28 Cb -0.11 0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.24 1x5a s LEU 28 CO 0.10 -0.39 0.07 0.28 0.23 0.00 0.00 176.35 176.64 1x5a s THR 29 N -2.30 -0.08 -0.23 5.49 -1.32 -1.17 -2.85 115.64 113.18 1x5a s THR 29 Ca -0.07 0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.68 1x5a s THR 29 Cb -0.04 -0.15 0.06 0.00 -1.51 0.00 0.00 72.50 70.86 1x5a s THR 29 CO -0.04 0.11 -0.07 -1.66 -2.21 0.00 0.00 174.62 170.75 1x5a s TRP 30 N 1.41 2.55 -0.03 9.09 -2.14 -0.87 -2.98 118.94 125.97 1x5a s TRP 30 Ca -0.05 -1.83 0.00 0.00 2.66 0.00 0.00 56.10 56.88 1x5a s TRP 30 Cb -0.12 -1.65 0.02 0.00 -3.10 0.00 0.00 33.47 28.62 1x5a s TRP 30 CO -0.04 -0.79 -0.00 0.00 -2.66 0.00 0.00 176.95 173.46 1x5a s ALA 31 N 1.34 0.30 0.00 2.67 0.00 -1.26 -4.83 121.76 119.99 1x5a s ALA 31 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1x5a s ALA 31 Cb -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1x5a s ALA 31 CO -0.06 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1x5a n GLY 32 N 4.04 0.05 2.67 0.00 0.00 -0.94 -4.77 105.19 106.24 1x5a n GLY 32 Ca -0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.42 1.48 0.25 1.61 0.15 -1.26 -5.06 113.70 110.45 1x5a s SER 33 Ca 0.00 -0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.33 1x5a s SER 33 Cb 0.00 -0.20 -0.14 0.00 -1.71 0.00 0.00 66.02 63.97 1x5a s SER 33 CO 0.00 -0.27 0.27 -2.11 1.20 0.00 0.00 173.24 172.33 1x5a n ARG 34 N 5.27 0.00 -2.26 5.44 0.00 -1.26 -4.85 116.66 119.01 1x5a n ARG 34 Ca -0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.43 1x5a n ARG 34 Cb 0.50 -0.85 -0.02 0.00 -0.00 0.00 0.00 32.46 32.09 1x5a n ARG 34 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1x5a s PRO 35 N -0.85 3.96 -0.00 2.89 0.04 -1.26 -4.97 135.00 134.80 1x5a s PRO 35 Ca 0.53 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 1x5a s PRO 35 Cb -0.68 -2.61 -0.19 0.00 0.04 0.00 0.00 34.50 31.06 1x5a s PRO 35 CO 0.51 -0.40 1.29 -0.09 0.04 0.00 0.00 177.00 178.35 1x5a h ARG 36 N 2.48 0.10 -6.17 4.56 9.65 -2.08 -3.45 114.38 119.48 1x5a h ARG 36 Ca -0.49 -0.05 -0.63 0.00 -1.10 0.00 0.00 59.98 57.71 1x5a h ARG 36 Cb 1.24 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.74 1x5a h ARG 36 CO 0.62 0.55 -0.59 0.54 2.80 0.00 0.00 179.97 183.89 1x5a s ASN 37 N -5.80 5.57 0.06 -3.80 2.20 -1.26 -5.04 114.94 106.87 1x5a s ASN 37 Ca -0.15 -0.00 -0.18 0.00 -0.94 0.00 0.00 52.86 51.58 1x5a s ASN 37 Cb 0.03 -1.51 -0.12 0.00 -2.00 0.00 0.00 41.25 37.65 1x5a s ASN 37 CO 0.70 0.17 1.37 1.55 -2.94 0.00 0.00 177.10 177.94 1x5a h PRO 38 N 3.23 0.47 0.00 3.55 0.13 -2.04 -3.47 132.00 133.87 1x5a h PRO 38 Ca -0.47 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1x5a h PRO 38 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x5a h PRO 38 CO 0.66 0.82 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 1x5a n GLY 39 N 0.18 1.10 0.00 1.56 0.00 -1.26 -4.75 105.19 102.02 1x5a n GLY 39 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.18 3.84 -0.02 0.00 -1.26 -5.10 105.19 103.83 1x5a n GLY 40 Ca 0.00 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.00 5.92 0.31 1.61 0.01 -1.26 -5.12 114.94 115.41 1x5a s ASN 41 Ca 0.00 0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.34 1x5a s ASN 41 Cb 0.00 -1.71 -0.06 0.00 0.41 0.00 0.00 41.25 39.89 1x5a s ASN 41 CO 0.00 0.17 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.94 1x5a s LEU 42 N -2.46 2.57 0.42 0.60 1.43 -1.26 -5.05 118.68 114.93 1x5a s LEU 42 Ca 0.32 -1.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1x5a s LEU 42 Cb -0.13 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1x5a s LEU 42 CO 0.25 -0.32 0.15 -0.44 0.23 0.00 0.00 176.35 176.21 1x5a s SER 43 N -3.52 2.88 -0.07 2.29 0.01 -1.19 -4.94 113.70 109.16 1x5a s SER 43 Ca 0.31 -1.73 -0.05 0.00 1.31 0.00 0.00 55.95 55.80 1x5a s SER 43 Cb 0.04 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1x5a s SER 43 CO 0.14 -0.98 0.18 -0.31 0.41 0.00 0.00 173.24 172.67 1x5a s TYR 44 N -3.18 -0.21 -0.27 2.43 2.02 -0.42 -1.26 117.35 116.46 1x5a s TYR 44 Ca 0.22 0.54 -0.12 0.00 -0.37 0.00 0.00 57.07 57.34 1x5a s TYR 44 Cb 0.02 0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.54 1x5a s TYR 44 CO 0.15 -0.14 0.23 -2.00 -1.57 0.00 0.00 175.55 172.22 1x5a s GLU 45 N 0.68 3.99 -0.15 -0.62 2.12 -1.04 -0.23 118.70 123.46 1x5a s GLU 45 Ca -0.05 -0.22 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1x5a s GLU 45 Cb -0.06 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1x5a s GLU 45 CO -0.04 -0.16 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.34 1x5a s LEU 46 N 1.70 3.43 -0.18 2.70 1.98 -0.79 -2.97 118.68 124.55 1x5a s LEU 46 Ca 0.09 -0.04 -0.00 0.00 -2.89 0.00 0.00 54.13 51.29 1x5a s LEU 46 Cb -0.16 -1.83 0.05 0.00 0.66 0.00 0.00 46.19 44.91 1x5a s LEU 46 CO 0.10 0.21 -0.05 -2.28 -1.89 0.00 0.00 176.35 172.44 1x5a s HIS 47 N 0.13 1.77 -0.25 5.38 5.65 -0.84 0.79 115.29 127.93 1x5a s HIS 47 Ca 0.01 -1.18 -0.05 0.00 0.25 0.00 0.00 55.06 54.09 1x5a s HIS 47 Cb -0.13 -1.34 -0.00 0.00 -1.18 0.00 0.00 32.58 29.93 1x5a s HIS 47 CO 0.02 -0.64 -0.00 0.08 -0.65 0.00 0.00 174.74 173.55 1x5a s VAL 48 N 1.61 3.55 -0.13 0.89 1.01 0.12 -1.89 120.40 125.57 1x5a s VAL 48 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1x5a s VAL 48 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1x5a s VAL 48 CO -0.07 0.30 -0.01 -0.76 0.00 0.00 0.00 175.10 174.55 1x5a s LEU 49 N 1.48 3.46 0.45 3.92 1.02 0.19 -0.69 118.68 128.51 1x5a s LEU 49 Ca 0.04 0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.28 1x5a s LEU 49 Cb -0.15 -1.82 -0.00 0.00 0.02 0.00 0.00 46.19 44.23 1x5a s LEU 49 CO -0.01 0.26 0.41 0.21 0.02 0.00 0.00 176.35 177.23 1x5a s ASN 50 N -0.15 4.97 0.00 2.29 3.84 0.23 -1.40 114.94 124.72 1x5a s ASN 50 Ca 0.04 -0.84 0.00 0.00 0.21 0.00 0.00 52.86 52.27 1x5a s ASN 50 Cb -0.13 -0.35 0.00 0.00 -0.55 0.00 0.00 41.25 40.22 1x5a s ASN 50 CO 0.02 -0.77 0.71 0.00 -2.79 0.00 0.00 177.10 174.28 1x5a n GLN 51 N -1.62 0.00 -1.31 0.43 6.02 -1.26 -2.57 117.38 117.06 1x5a n GLN 51 Ca 0.03 0.71 -0.21 0.00 -0.01 0.00 0.00 57.00 57.52 1x5a n GLN 51 Cb 0.62 -1.21 0.12 0.00 1.02 0.00 0.00 30.24 30.79 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 -1.85 4.79 -3.77 1.08 8.00 -1.26 -4.98 116.55 118.56 1x5a n ASP 52 Ca 0.00 -3.76 -0.10 0.00 0.71 0.00 0.00 54.79 51.65 1x5a n ASP 52 Cb 0.00 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.34 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 -3.51 1.22 -0.19 -1.24 0.41 -1.06 -5.17 118.70 109.15 1x5a s GLU 53 Ca 0.54 -0.90 -0.09 0.00 -0.41 0.00 0.00 54.97 54.11 1x5a s GLU 53 Cb 0.45 0.46 0.07 0.00 -1.78 0.00 0.00 34.13 33.34 1x5a s GLU 53 CO 0.02 -0.48 0.45 -2.00 -0.49 0.00 0.00 175.26 172.76 1x5a s GLU 54 N -3.88 0.41 -0.10 1.61 2.12 -1.26 0.74 118.70 118.34 1x5a s GLU 54 Ca 0.09 0.94 -0.10 0.00 0.36 0.00 0.00 54.97 56.26 1x5a s GLU 54 Cb 0.01 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.57 1x5a s GLU 54 CO -0.05 -0.19 0.29 1.67 -0.54 0.00 0.00 175.26 176.44 1x5a s TRP 55 N 1.86 -0.30 0.06 5.30 -2.14 0.14 -4.97 118.94 118.89 1x5a s TRP 55 Ca -0.07 0.73 0.05 0.00 2.66 0.00 0.00 56.10 59.47 1x5a s TRP 55 Cb -0.09 0.10 -0.03 0.00 -3.10 0.00 0.00 33.47 30.35 1x5a s TRP 55 CO -0.14 -0.17 -0.14 -3.38 -2.66 0.00 0.00 176.95 170.46 1x5a s HIS 56 N 0.04 1.23 -0.07 1.66 -3.43 -1.26 0.16 115.29 113.62 1x5a s HIS 56 Ca -0.01 -0.41 -0.03 0.00 -0.80 0.00 0.00 55.06 53.81 1x5a s HIS 56 Cb -0.02 -0.71 0.04 0.00 -1.43 0.00 0.00 32.58 30.46 1x5a s HIS 56 CO 0.01 0.05 0.14 1.14 -2.00 0.00 0.00 174.74 174.08 1x5a s GLN 57 N -1.48 0.07 -0.06 -0.38 -2.07 0.24 -4.95 119.66 111.03 1x5a s GLN 57 Ca -0.00 0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 53.63 1x5a s GLN 57 Cb -0.09 -0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 31.60 1x5a s GLN 57 CO 0.02 -0.19 1.08 1.41 -1.32 0.00 0.00 175.29 176.29 1x5a s MET 58 N 1.39 4.42 -0.05 9.60 -2.45 -1.26 -1.88 119.30 129.06 1x5a s MET 58 Ca -0.07 1.52 0.06 0.00 -1.25 0.00 0.00 55.69 55.95 1x5a s MET 58 Cb -0.12 -3.52 -0.02 0.00 1.25 0.00 0.00 34.83 32.43 1x5a s MET 58 CO -0.06 -0.31 -0.22 0.14 1.05 0.00 0.00 175.02 175.62 1x5a s VAL 59 N 1.83 2.32 0.11 10.11 -7.23 0.68 -4.91 120.40 123.32 1x5a s VAL 59 Ca 0.52 -0.99 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 1x5a s VAL 59 Cb -0.22 -1.85 -0.22 0.00 0.56 0.00 0.00 36.38 34.65 1x5a s VAL 59 CO 0.22 0.57 1.25 -0.07 -0.31 0.00 0.00 175.10 176.76 1x5a h LEU 60 N 5.80 0.07-10.00 1.32 3.38 -1.92 -1.11 115.31 112.84 1x5a h LEU 60 Ca -0.38 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.00 1x5a h LEU 60 Cb 1.16 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1x5a h LEU 60 CO 0.48 1.06 -0.05 -1.83 0.09 0.00 0.00 178.44 178.19 1x5a s GLU 61 N -2.70 3.85 0.00 1.13 1.03 -1.26 -4.57 118.70 116.18 1x5a s GLU 61 Ca 0.00 0.38 0.10 0.00 0.03 0.00 0.00 54.97 55.49 1x5a s GLU 61 Cb 0.10 -2.57 0.62 0.00 -0.80 0.00 0.00 34.13 31.47 1x5a s GLU 61 CO 0.83 0.25 1.06 -0.35 -1.33 0.00 0.00 175.26 175.72 1x5a n PRO 62 N -0.30 0.49 -4.08 -4.83 -0.04 -1.26 -4.56 135.00 120.43 1x5a n PRO 62 Ca 0.01 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1x5a n PRO 62 Cb 0.53 -1.33 -0.17 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.92 0.15 0.54 1.70 -1.26 -2.05 118.95 116.95 1x5a s ARG 63 Ca 0.16 -0.09 0.06 0.00 -0.47 0.00 0.00 55.73 55.38 1x5a s ARG 63 Cb 0.07 -0.99 -0.04 0.00 -0.57 0.00 0.00 34.95 33.42 1x5a s ARG 63 CO 0.12 -0.14 0.07 0.54 -1.08 0.00 0.00 175.30 174.80 1x5a s VAL 64 N 1.23 4.18 -0.22 4.99 0.11 -1.13 -5.00 120.40 124.55 1x5a s VAL 64 Ca -0.06 -1.15 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 1x5a s VAL 64 Cb -0.14 -3.09 0.05 0.00 -1.53 0.00 0.00 36.38 31.67 1x5a s VAL 64 CO -0.02 -0.06 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.35 1x5a s LEU 65 N -2.88 2.76 -0.15 2.54 1.98 -1.26 -2.95 118.68 118.72 1x5a s LEU 65 Ca 0.29 -1.08 -0.05 0.00 -2.89 0.00 0.00 54.13 50.40 1x5a s LEU 65 Cb -0.10 -1.41 -0.04 0.00 0.66 0.00 0.00 46.19 45.31 1x5a s LEU 65 CO 0.21 -0.14 0.03 -0.76 -1.89 0.00 0.00 176.35 173.80 1x5a s LEU 66 N 1.25 3.66 0.34 -0.68 1.43 -0.27 -5.02 118.68 119.40 1x5a s LEU 66 Ca -0.04 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1x5a s LEU 66 Cb -0.17 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1x5a s LEU 66 CO -0.08 0.24 0.19 0.42 0.23 0.00 0.00 176.35 177.35 1x5a s THR 67 N -0.04 0.27 -1.25 5.49 -4.23 -1.26 -0.71 115.64 113.91 1x5a s THR 67 Ca 0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1x5a s THR 67 Cb -0.12 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1x5a s THR 67 CO 0.02 0.00 0.98 0.29 -0.54 0.00 0.00 174.62 175.37 1x5a n LYS 68 N -0.67 -6.54 -3.42 3.99 5.02 -0.41 -4.93 118.16 111.20 1x5a n LYS 68 Ca 0.01 0.81 -0.20 0.00 -2.02 0.00 0.00 58.31 56.92 1x5a n LYS 68 Cb 0.64 -5.76 -0.02 0.00 -0.02 0.00 0.00 35.03 29.87 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 -6.56 3.51 -0.12 -0.35 1.43 0.02 -5.04 118.68 111.56 1x5a s LEU 69 Ca 0.10 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1x5a s LEU 69 Cb -0.04 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1x5a s LEU 69 CO 0.74 -0.65 0.13 -1.10 0.23 0.00 0.00 176.35 175.71 1x5a s GLN 70 N -4.19 3.48 0.53 1.70 -1.52 -1.24 -4.15 119.66 114.28 1x5a s GLN 70 Ca 0.49 -0.15 -0.20 0.00 -1.95 0.00 0.00 55.36 53.56 1x5a s GLN 70 Cb -0.06 -3.19 -0.06 0.00 -0.22 0.00 0.00 33.01 29.48 1x5a s GLN 70 CO 0.29 0.74 1.13 -1.25 -0.25 0.00 0.00 175.29 175.96 1x5a s PRO 71 N -0.92 3.40 -1.37 2.91 0.04 -0.49 -3.60 135.00 134.98 1x5a s PRO 71 Ca 0.14 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1x5a s PRO 71 Cb -0.12 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.40 1x5a s PRO 71 CO 0.03 -0.81 0.84 -3.47 0.04 0.00 0.00 177.00 173.63 1x5a n ASP 72 N -1.22 -2.69 -4.02 6.66 2.03 -1.13 -4.88 116.55 111.29 1x5a n ASP 72 Ca 0.11 -0.78 -0.17 0.00 0.52 0.00 0.00 54.79 54.48 1x5a n ASP 72 Cb 0.51 -4.14 -0.14 0.00 -0.72 0.00 0.00 41.12 36.63 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 -3.51 0.63 -0.09 5.18 2.01 -1.24 -4.94 115.64 113.68 1x5a s THR 73 Ca 0.25 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1x5a s THR 73 Cb -0.12 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1x5a s THR 73 CO 0.81 0.05 0.66 -0.89 -0.69 0.00 0.00 174.62 174.56 1x5a s THR 74 N -0.45 5.06 -0.11 -0.82 2.01 -1.26 -2.05 115.64 118.03 1x5a s THR 74 Ca 0.01 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.37 1x5a s THR 74 Cb -0.05 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1x5a s THR 74 CO 0.00 0.25 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.75 1x5a s TYR 75 N 0.88 1.81 -0.05 4.92 2.02 -0.74 -4.33 117.35 121.85 1x5a s TYR 75 Ca 0.35 -0.89 -0.18 0.00 -0.37 0.00 0.00 57.07 55.99 1x5a s TYR 75 Cb -0.17 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 39.98 1x5a s TYR 75 CO 0.16 -0.50 0.49 0.42 -1.57 0.00 0.00 175.55 174.55 1x5a s ILE 76 N 1.26 5.05 0.00 2.71 -1.09 -0.49 -3.20 121.20 125.44 1x5a s ILE 76 Ca -0.02 1.00 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 1x5a s ILE 76 Cb -0.14 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 1x5a s ILE 76 CO -0.05 0.43 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.35 1x5a s VAL 77 N -0.14 0.40 -0.13 2.92 1.01 -1.24 -0.63 120.40 122.58 1x5a s VAL 77 Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1x5a s VAL 77 Cb -0.17 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 35.92 1x5a s VAL 77 CO 0.13 0.04 0.28 0.00 0.00 0.00 0.00 175.10 175.55 1x5a s ARG 78 N -0.32 0.18 0.12 2.72 1.70 -0.79 -3.42 118.95 119.13 1x5a s ARG 78 Ca 0.00 0.75 0.10 0.00 -0.47 0.00 0.00 55.73 56.11 1x5a s ARG 78 Cb -0.03 -0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 1x5a s ARG 78 CO -0.00 -0.26 -0.24 0.54 -1.08 0.00 0.00 175.30 174.25 1x5a s VAL 79 N 2.24 2.42 -0.09 4.99 0.11 -1.26 -1.99 120.40 126.83 1x5a s VAL 79 Ca -0.01 -1.65 -0.17 0.00 -2.93 0.00 0.00 61.98 57.22 1x5a s VAL 79 Cb -0.12 -2.07 0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1x5a s VAL 79 CO -0.09 0.12 0.41 0.00 -3.33 0.00 0.00 175.10 172.21 1x5a s ARG 80 N -2.01 0.65 -0.29 1.54 1.04 -1.16 -3.56 118.95 115.16 1x5a s ARG 80 Ca 0.15 0.22 -0.28 0.00 -1.04 0.00 0.00 55.73 54.79 1x5a s ARG 80 Cb -0.10 0.30 -0.05 0.00 -2.04 0.00 0.00 34.95 33.06 1x5a s ARG 80 CO 0.07 -0.15 2.25 0.99 -0.04 0.00 0.00 175.30 178.42 1x5a s THR 81 N -0.61 3.03 -0.16 4.99 2.01 -1.26 -2.49 115.64 121.14 1x5a s THR 81 Ca -0.07 0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.69 1x5a s THR 81 Cb -0.04 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1x5a s THR 81 CO 0.03 -0.03 0.89 -0.22 -0.69 0.00 0.00 174.62 174.60 1x5a s LEU 82 N 9.21 4.19 0.11 4.42 2.96 -0.39 -2.68 118.68 136.50 1x5a s LEU 82 Ca 0.99 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 56.25 1x5a s LEU 82 Cb -0.29 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1x5a s LEU 82 CO 0.33 -0.44 -0.18 0.42 -1.32 0.00 0.00 176.35 175.16 1x5a s THR 83 N 2.21 1.57 0.17 3.68 -4.23 -1.26 -3.20 115.64 114.58 1x5a s THR 83 Ca 0.41 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 1x5a s THR 83 Cb -0.17 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 1x5a s THR 83 CO 0.13 -0.19 1.52 1.55 -0.54 0.00 0.00 174.62 177.08 1x5a h PRO 84 N 3.87 0.80 -3.42 3.99 0.13 -1.96 -3.35 132.00 132.04 1x5a h PRO 84 Ca -0.43 -0.42 -0.62 0.00 -0.87 0.00 0.00 66.00 63.65 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 0.44 1.05 -0.70 -0.51 -0.23 0.00 0.00 178.00 178.04 1x5a s LEU 85 N -8.73 3.46 0.00 1.56 1.43 -1.26 -4.85 118.68 110.28 1x5a s LEU 85 Ca -0.10 -2.57 0.00 0.00 -1.03 0.00 0.00 54.13 50.44 1x5a s LEU 85 Cb 0.12 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1x5a s LEU 85 CO 0.86 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.76 1x5a n GLY 86 N 3.66 0.69 3.77 -3.19 0.00 -1.26 -5.07 105.19 103.78 1x5a n GLY 86 Ca 0.05 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.16 4.04 0.74 1.61 0.04 -1.26 -4.69 135.00 133.32 1x5a s PRO 87 Ca 0.00 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1x5a s PRO 87 Cb 0.00 -2.69 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1x5a s PRO 87 CO 0.00 -0.35 1.08 0.20 0.04 0.00 0.00 177.00 177.98 1x5a s GLY 88 N -1.07 1.64 0.57 0.56 0.00 -1.09 -4.95 107.32 102.98 1x5a s GLY 88 Ca 0.57 -0.11 -0.18 0.00 0.00 0.00 0.00 44.72 44.99 1x5a s GLY 88 CO 0.40 0.26 1.12 2.56 0.00 0.00 0.00 173.10 177.44 1x5a s PRO 89 N -5.14 3.23 0.22 2.90 0.04 -1.26 -4.80 135.00 130.18 1x5a s PRO 89 Ca 0.59 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1x5a s PRO 89 Cb -0.14 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1x5a s PRO 89 CO 0.54 -0.94 1.14 -0.06 0.04 0.00 0.00 177.00 177.72 1x5a s PHE 90 N -1.91 3.52 0.86 0.56 0.08 -1.26 -4.72 117.98 115.10 1x5a s PHE 90 Ca 0.71 1.57 -0.12 0.00 0.12 0.00 0.00 56.93 59.22 1x5a s PHE 90 Cb -0.23 -3.34 0.11 0.00 -0.57 0.00 0.00 43.02 38.99 1x5a s PHE 90 CO 0.30 -0.82 1.17 -1.54 -0.10 0.00 0.00 175.22 174.23 1x5a s SER 91 N -0.29 3.33 0.20 1.36 1.04 -1.23 -4.94 113.70 113.16 1x5a s SER 91 Ca 0.49 2.25 -0.30 0.00 0.48 0.00 0.00 55.95 58.86 1x5a s SER 91 Cb -0.32 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.14 1x5a s SER 91 CO 0.38 -2.84 1.30 -2.16 0.98 0.00 0.00 173.24 170.90 1x5a s PRO 92 N -4.43 4.40 -0.41 4.02 0.04 -1.26 -4.81 135.00 132.55 1x5a s PRO 92 Ca 0.69 2.04 -0.43 0.00 0.04 0.00 0.00 61.00 63.34 1x5a s PRO 92 Cb -0.25 -3.19 -0.17 0.00 0.04 0.00 0.00 34.50 30.92 1x5a s PRO 92 CO 0.54 -0.23 1.80 -0.25 0.04 0.00 0.00 177.00 178.91 1x5a n ASP 93 N 2.52 1.63 -4.51 6.66 9.92 -1.26 -4.87 116.55 126.64 1x5a n ASP 93 Ca 0.06 0.99 -0.41 0.00 -0.53 0.00 0.00 54.79 54.89 1x5a n ASP 93 Cb 0.43 -1.01 -0.10 0.00 -0.64 0.00 0.00 41.12 39.80 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 4.14 3.22 -0.45 1.24 3.76 -1.22 -5.00 115.29 120.99 1x5a s HIS 94 Ca 1.06 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 55.38 1x5a s HIS 94 Cb -1.29 -2.57 0.01 0.00 1.11 0.00 0.00 32.58 29.84 1x5a s HIS 94 CO 0.71 -0.46 1.43 -2.00 -0.85 0.00 0.00 174.74 173.56 1x5a s GLU 95 N 1.79 3.49 0.27 1.40 2.12 -1.26 -3.63 118.70 122.87 1x5a s GLU 95 Ca 0.07 0.84 0.11 0.00 0.36 0.00 0.00 54.97 56.35 1x5a s GLU 95 Cb -0.18 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 1x5a s GLU 95 CO 0.11 -1.68 -0.14 -0.06 -0.54 0.00 0.00 175.26 172.94 1x5a s PHE 96 N 5.69 2.41 -0.00 5.30 0.08 -1.19 -5.02 117.98 125.24 1x5a s PHE 96 Ca 0.60 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.36 1x5a s PHE 96 Cb -0.13 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 1x5a s PHE 96 CO 0.31 0.68 -0.01 0.50 -0.10 0.00 0.00 175.22 176.60 1x5a s ARG 97 N -3.51 0.11 0.38 0.44 3.52 -1.26 -1.79 118.95 116.84 1x5a s ARG 97 Ca 0.30 -0.02 -0.16 0.00 -0.13 0.00 0.00 55.73 55.72 1x5a s ARG 97 Cb -0.06 -0.14 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 1x5a s ARG 97 CO 0.16 -0.00 0.81 0.95 -0.81 0.00 0.00 175.30 176.41 1x5a s THR 98 N 0.14 4.62 0.39 4.11 -4.23 -0.87 -4.92 115.64 114.88 1x5a s THR 98 Ca -0.01 1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 61.28 1x5a s THR 98 Cb -0.03 -3.64 -0.11 0.00 1.34 0.00 0.00 72.50 70.06 1x5a s THR 98 CO -0.00 -0.32 1.03 -0.24 -0.54 0.00 0.00 174.62 174.55 1x5a n SER 99 N -0.70 1.40 -4.77 3.99 2.88 -1.24 -3.47 113.62 111.72 1x5a n SER 99 Ca 0.04 1.07 -0.37 0.00 -1.33 0.00 0.00 58.87 58.28 1x5a n SER 99 Cb 0.54 -1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 62.63 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 -1.92 3.84 -0.02 -1.46 0.04 -1.26 -2.85 135.00 131.37 1x5a s PRO 100 Ca 0.62 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 63.20 1x5a s PRO 100 Cb -0.58 -2.49 -0.20 0.00 0.04 0.00 0.00 34.50 31.27 1x5a s PRO 100 CO 0.58 -0.49 1.24 -1.00 0.04 0.00 0.00 177.00 177.37 1x5a h PRO 101 N 2.23 -0.03 -6.21 0.56 0.13 -1.91 -3.46 132.00 123.30 1x5a h PRO 101 Ca -0.49 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 1x5a h PRO 101 Cb 1.24 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1x5a h PRO 101 CO 0.61 0.44 -0.46 -1.12 -0.23 0.00 0.00 178.00 177.24 1x5a s SER 102 N -5.65 5.83 0.00 1.44 0.01 -1.26 -4.95 113.70 109.13 1x5a s SER 102 Ca -0.16 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1x5a s SER 102 Cb 0.02 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1x5a s SER 102 CO 0.66 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1x5a n GLY 103 N -1.34 -1.61 0.00 3.44 0.00 -1.26 -4.94 105.19 99.48 1x5a n GLY 103 Ca -0.07 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.59 1x5a n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5a n PRO 104 N 0.00 0.32 -2.48 1.61 -0.04 -1.26 -4.73 135.00 128.43 1x5a n PRO 104 Ca 0.00 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 1x5a n PRO 104 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1x5a n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5a s SER 105 N -2.34 7.02 -0.10 3.54 0.15 -1.26 -4.93 113.70 115.78 1x5a s SER 105 Ca 0.18 1.69 -0.39 0.00 0.70 0.00 0.00 55.95 58.13 1x5a s SER 105 Cb 0.10 -2.55 -0.19 0.00 -1.71 0.00 0.00 66.02 61.68 1x5a s SER 105 CO 0.21 -0.67 1.12 -1.20 1.20 0.00 0.00 173.24 173.90 1x5a n SER 106 N 5.95 0.24 0.00 5.45 7.64 -1.26 -5.16 113.62 126.48 1x5a n SER 106 Ca 0.12 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1x5a n SER 106 Cb 0.46 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1x5a n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64