#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 -0.22 0.37 1.61 0.01 -1.26 -5.16 113.70 109.05 1x5a s SER 2 Ca 0.00 0.35 -0.17 0.00 1.31 0.00 0.00 55.95 57.45 1x5a s SER 2 Cb 0.00 0.46 -0.09 0.00 0.21 0.00 0.00 66.02 66.60 1x5a s SER 2 CO 0.00 -0.20 0.82 -0.94 0.41 0.00 0.00 173.24 173.33 1x5a s SER 3 N -0.36 6.81 -1.14 2.44 1.04 -1.26 -4.99 113.70 116.24 1x5a s SER 3 Ca -0.05 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 1x5a s SER 3 Cb -0.03 -2.43 0.25 0.00 0.10 0.00 0.00 66.02 63.90 1x5a s SER 3 CO 0.01 -0.28 1.97 0.61 0.98 0.00 0.00 173.24 176.53 1x5a n GLY 4 N -0.56 5.67 3.16 7.32 0.00 -1.26 -4.87 105.19 114.64 1x5a n GLY 4 Ca 0.05 -2.40 -0.38 0.00 0.00 0.00 0.00 46.02 43.29 1x5a n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5a s SER 5 N -0.73 6.16 0.26 1.61 1.04 -1.26 -5.01 113.70 115.77 1x5a s SER 5 Ca 0.43 -3.50 -0.20 0.00 0.48 0.00 0.00 55.95 53.16 1x5a s SER 5 Cb 0.17 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.34 1x5a s SER 5 CO -0.08 -0.25 0.67 -0.55 0.98 0.00 0.00 173.24 174.00 1x5a s SER 6 N 0.38 -0.26 0.00 7.02 0.15 -1.26 -5.18 113.70 114.55 1x5a s SER 6 Ca 0.26 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1x5a s SER 6 Cb -0.10 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1x5a s SER 6 CO -0.10 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.67 1x5a n GLY 7 N -0.44 -1.08 3.13 9.45 0.00 -1.26 -4.99 105.19 109.99 1x5a n GLY 7 Ca -0.05 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a s ALA 8 N -3.37 3.58 0.25 4.61 0.00 -1.26 -5.08 121.76 120.49 1x5a s ALA 8 Ca 0.00 -3.16 -0.19 0.00 0.00 0.00 0.00 51.96 48.61 1x5a s ALA 8 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.31 1x5a s ALA 8 CO 0.00 -2.08 0.73 -2.00 0.00 0.00 0.00 175.76 172.41 1x5a s GLU 9 N 0.14 4.19 0.20 0.00 2.12 -1.26 -5.08 118.70 119.01 1x5a s GLU 9 Ca 0.16 0.82 0.09 0.00 0.36 0.00 0.00 54.97 56.40 1x5a s GLU 9 Cb -0.20 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1x5a s GLU 9 CO -0.04 0.34 -0.08 0.45 -0.54 0.00 0.00 175.26 175.39 1x5a s SER 10 N -1.80 4.30 -0.06 -1.70 0.15 -1.26 -5.13 113.70 108.19 1x5a s SER 10 Ca 0.46 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.54 1x5a s SER 10 Cb -0.15 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.43 1x5a s SER 10 CO 0.20 0.08 -0.14 -0.22 1.20 0.00 0.00 173.24 174.37 1x5a s LEU 11 N -3.00 1.74 0.10 3.45 2.96 -1.26 -5.05 118.68 117.61 1x5a s LEU 11 Ca 0.26 -0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 1x5a s LEU 11 Cb -0.08 -0.88 -0.13 0.00 0.50 0.00 0.00 46.19 45.60 1x5a s LEU 11 CO 0.16 0.07 1.65 -1.28 -1.32 0.00 0.00 176.35 175.63 1x5a h SER 12 N 6.79 -0.64 0.00 3.68 0.87 -2.04 -3.44 113.55 118.76 1x5a h SER 12 Ca -0.30 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1x5a h SER 12 Cb 1.19 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1x5a h SER 12 CO 0.48 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.03 1x5a n GLY 13 N -1.37 -0.71 2.64 5.77 0.00 -1.26 -5.07 105.19 105.19 1x5a n GLY 13 Ca -0.09 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 3.18 -4.48 0.99 4.77 -1.26 -4.09 117.00 116.12 1x5a n LEU 14 Ca 0.00 -5.28 -0.43 0.00 -0.03 0.00 0.00 56.01 50.27 1x5a n LEU 14 Cb 0.00 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1x5a n LEU 14 CO 0.00 2.27 0.87 -0.44 -1.33 0.00 0.00 177.39 178.76 1x5a s SER 15 N -3.14 6.19 -0.30 -1.43 0.01 -1.26 -4.93 113.70 108.84 1x5a s SER 15 Ca 0.45 -0.91 -0.36 0.00 1.31 0.00 0.00 55.95 56.44 1x5a s SER 15 Cb 0.33 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 63.99 1x5a s SER 15 CO -0.11 -1.53 2.09 0.18 0.41 0.00 0.00 173.24 174.28 1x5a n LEU 16 N 8.09 2.38 -4.76 2.44 4.77 -1.26 -4.73 117.00 123.93 1x5a n LEU 16 Ca -0.01 0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 56.19 1x5a n LEU 16 Cb 0.46 -1.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.21 1x5a n LEU 16 CO 0.65 -0.59 -0.19 -0.75 -1.33 0.00 0.00 177.39 175.18 1x5a s LYS 17 N 5.56 3.93 -0.91 3.23 2.20 -1.24 -4.99 119.74 127.53 1x5a s LYS 17 Ca 1.05 -0.21 -0.22 0.00 -0.36 0.00 0.00 55.97 56.23 1x5a s LYS 17 Cb -0.85 -3.32 0.08 0.00 -1.51 0.00 0.00 37.83 32.23 1x5a s LYS 17 CO 0.51 0.44 1.26 -1.17 -0.36 0.00 0.00 175.35 176.04 1x5a s LEU 18 N -0.06 4.08 0.06 5.43 2.96 -1.26 -3.29 118.68 126.60 1x5a s LEU 18 Ca 0.10 -1.46 -0.31 0.00 -0.22 0.00 0.00 54.13 52.24 1x5a s LEU 18 Cb -0.11 -2.49 -0.18 0.00 0.50 0.00 0.00 46.19 43.90 1x5a s LEU 18 CO 0.00 -1.40 1.57 -0.37 -1.32 0.00 0.00 176.35 174.83 1x5a h VAL 19 N 6.28 0.43 -3.74 1.68 -1.51 -1.95 -3.44 116.25 113.99 1x5a h VAL 19 Ca 0.06 -0.08 -0.28 0.00 -1.23 0.00 0.00 66.70 65.17 1x5a h VAL 19 Cb 1.03 0.47 -0.29 0.00 -2.13 0.00 0.00 31.29 30.36 1x5a h VAL 19 CO 1.27 0.01 -0.74 -0.75 -1.23 0.00 0.00 177.57 176.14 1x5a s LYS 20 N -5.85 0.19 -0.67 5.19 2.47 -1.26 -5.06 119.74 114.74 1x5a s LYS 20 Ca -0.17 -0.04 -0.05 0.00 -1.56 0.00 0.00 55.97 54.15 1x5a s LYS 20 Cb 0.03 -0.22 0.17 0.00 -1.46 0.00 0.00 37.83 36.35 1x5a s LYS 20 CO 0.61 0.01 0.51 0.21 0.16 0.00 0.00 175.35 176.85 1x5a s LYS 21 N 0.16 2.80 0.22 4.03 2.20 -1.26 -3.91 119.74 123.98 1x5a s LYS 21 Ca -0.01 -2.51 0.06 0.00 -0.36 0.00 0.00 55.97 53.14 1x5a s LYS 21 Cb -0.03 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1x5a s LYS 21 CO -0.00 -1.20 0.21 -1.21 -0.36 0.00 0.00 175.35 172.79 1x5a s GLU 22 N -0.01 3.04 0.28 4.03 0.41 -0.69 -3.63 118.70 122.13 1x5a s GLU 22 Ca 0.17 -0.93 0.06 0.00 -0.41 0.00 0.00 54.97 53.87 1x5a s GLU 22 Cb -0.18 -2.66 0.41 0.00 -1.78 0.00 0.00 34.13 29.91 1x5a s GLU 22 CO -0.05 0.44 1.66 -1.00 -0.49 0.00 0.00 175.26 175.82 1x5a h PRO 23 N 1.73 0.22 0.00 0.39 0.13 -1.89 -3.14 132.00 129.44 1x5a h PRO 23 Ca -0.49 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.47 1x5a h PRO 23 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1x5a h PRO 23 CO 0.62 0.65 -0.64 0.54 -0.23 0.00 0.00 178.00 178.94 1x5a n ARG 24 N -3.98 1.08 -3.61 0.86 1.74 -1.26 -2.18 116.66 109.32 1x5a n ARG 24 Ca -0.02 -2.85 -0.11 0.00 -0.77 0.00 0.00 57.85 54.10 1x5a n ARG 24 Cb 0.52 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.77 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 -2.22 0.65 -0.28 5.56 0.74 -1.23 -3.42 119.66 119.48 1x5a s GLN 25 Ca 0.36 0.51 -0.06 0.00 0.05 0.00 0.00 55.36 56.23 1x5a s GLN 25 Cb 0.36 0.31 0.14 0.00 1.10 0.00 0.00 33.01 34.93 1x5a s GLN 25 CO -0.09 -0.13 0.56 -0.51 -0.55 0.00 0.00 175.29 174.57 1x5a s LEU 26 N -0.26 -1.09 0.23 3.68 1.43 -0.63 -1.70 118.68 120.35 1x5a s LEU 26 Ca -0.00 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 1x5a s LEU 26 Cb -0.03 1.97 -0.04 0.00 0.03 0.00 0.00 46.19 48.11 1x5a s LEU 26 CO -0.01 -0.24 0.07 -0.70 0.23 0.00 0.00 176.35 175.70 1x5a s GLU 27 N 2.80 2.56 -0.00 1.70 2.12 -1.25 -1.82 118.70 124.80 1x5a s GLU 27 Ca 0.06 -1.19 -0.08 0.00 0.36 0.00 0.00 54.97 54.12 1x5a s GLU 27 Cb -0.13 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.89 1x5a s GLU 27 CO -0.18 0.41 0.15 -0.51 -0.54 0.00 0.00 175.26 174.58 1x5a s LEU 28 N -3.52 1.50 -0.06 2.70 1.43 -0.89 -3.48 118.68 116.37 1x5a s LEU 28 Ca 0.31 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1x5a s LEU 28 Cb -0.08 0.70 0.03 0.00 0.03 0.00 0.00 46.19 46.87 1x5a s LEU 28 CO 0.21 -0.35 0.05 0.28 0.23 0.00 0.00 176.35 176.77 1x5a s THR 29 N -1.26 -0.00 -0.34 5.49 -1.32 -1.21 -1.91 115.64 115.08 1x5a s THR 29 Ca -0.13 0.31 -0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1x5a s THR 29 Cb -0.07 -0.27 0.08 0.00 -1.51 0.00 0.00 72.50 70.73 1x5a s THR 29 CO 0.02 0.16 0.07 -1.66 -2.21 0.00 0.00 174.62 170.99 1x5a s TRP 30 N 2.12 3.51 -0.13 9.09 -2.14 -0.58 -3.59 118.94 127.22 1x5a s TRP 30 Ca 0.05 -2.40 -0.08 0.00 2.66 0.00 0.00 56.10 56.32 1x5a s TRP 30 Cb -0.12 -2.68 0.05 0.00 -3.10 0.00 0.00 33.47 27.61 1x5a s TRP 30 CO -0.04 -0.91 0.33 0.00 -2.66 0.00 0.00 176.95 173.67 1x5a s ALA 31 N 1.11 -0.80 -0.21 2.67 0.00 -1.26 -4.80 121.76 118.46 1x5a s ALA 31 Ca 0.03 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 1x5a s ALA 31 Cb -0.21 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.25 1x5a s ALA 31 CO -0.04 -0.22 0.10 0.20 0.00 0.00 0.00 175.76 175.80 1x5a s GLY 32 N 1.14 0.42 -0.30 0.00 0.00 -1.26 -4.99 107.32 102.34 1x5a s GLY 32 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 1x5a s GLY 32 CO -0.09 1.81 0.85 -0.56 0.00 0.00 0.00 173.10 175.12 1x5a s SER 33 N 2.10 -0.86 -0.03 1.64 0.01 -1.26 -4.94 113.70 110.35 1x5a s SER 33 Ca 0.04 0.58 -0.00 0.00 1.31 0.00 0.00 55.95 57.88 1x5a s SER 33 Cb -0.16 1.74 -0.00 0.00 0.21 0.00 0.00 66.02 67.81 1x5a s SER 33 CO -0.18 -0.16 -0.01 0.03 0.41 0.00 0.00 173.24 173.34 1x5a h ARG 34 N 7.98 0.00 0.05 12.44 -0.00 -2.03 -3.42 114.38 129.40 1x5a h ARG 34 Ca -0.18 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.30 1x5a h ARG 34 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.13 1x5a h ARG 34 CO 0.06 0.00 -0.02 -1.00 0.00 0.00 0.00 179.97 179.01 1x5a h PRO 35 N -0.34 -0.07 -1.45 0.04 0.13 -2.08 -3.48 132.00 124.76 1x5a h PRO 35 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 1x5a h PRO 35 Cb 0.02 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 30.93 1x5a h PRO 35 CO 0.00 0.40 0.66 0.50 -0.23 0.00 0.00 178.00 179.33 1x5a s ARG 36 N -4.21 0.45 0.01 0.86 3.00 -1.26 -5.17 118.95 112.63 1x5a s ARG 36 Ca -0.15 0.08 -0.10 0.00 -1.00 0.00 0.00 55.73 54.56 1x5a s ARG 36 Cb 0.02 0.21 -0.05 0.00 0.00 0.00 0.00 34.95 35.12 1x5a s ARG 36 CO 0.64 -0.15 0.32 0.54 0.00 0.00 0.00 175.30 176.66 1x5a s ASN 37 N -1.18 6.61 0.69 -2.12 4.22 -1.26 -4.87 114.94 117.02 1x5a s ASN 37 Ca 0.02 0.72 -0.14 0.00 -2.14 0.00 0.00 52.86 51.32 1x5a s ASN 37 Cb -0.01 -2.16 0.01 0.00 1.28 0.00 0.00 41.25 40.38 1x5a s ASN 37 CO -0.02 0.28 1.11 -2.16 -2.04 0.00 0.00 177.10 174.27 1x5a s PRO 38 N -1.50 2.66 0.38 3.55 0.04 -1.26 -5.07 135.00 133.80 1x5a s PRO 38 Ca 0.26 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1x5a s PRO 38 Cb -0.14 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1x5a s PRO 38 CO 0.14 -1.35 0.00 0.20 0.04 0.00 0.00 177.00 176.03 1x5a s GLY 39 N -2.78 2.30 0.00 0.56 0.00 -1.26 -5.12 107.32 101.02 1x5a s GLY 39 Ca 0.66 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1x5a s GLY 39 CO 0.45 -2.01 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1x5a n GLY 40 N -0.95 4.59 3.53 0.20 0.00 -1.26 -5.01 105.19 106.28 1x5a n GLY 40 Ca -0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 0.89 -4.14 1.61 0.23 -1.26 -4.87 115.26 107.72 1x5a n ASN 41 Ca 0.00 -0.57 -0.15 0.00 -0.53 0.00 0.00 54.58 53.32 1x5a n ASN 41 Cb 0.00 -1.21 -0.11 0.00 -2.08 0.00 0.00 39.78 36.37 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1x5a s LEU 42 N 9.52 2.31 0.41 -4.53 1.43 -1.26 -5.00 118.68 121.55 1x5a s LEU 42 Ca 1.14 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1x5a s LEU 42 Cb -0.59 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1x5a s LEU 42 CO 0.34 -0.18 0.06 -0.44 0.23 0.00 0.00 176.35 176.37 1x5a s SER 43 N -1.90 3.15 -0.02 2.29 0.01 -1.26 -4.97 113.70 111.01 1x5a s SER 43 Ca -0.02 -1.55 0.01 0.00 1.31 0.00 0.00 55.95 55.70 1x5a s SER 43 Cb -0.08 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1x5a s SER 43 CO 0.01 -0.76 -0.04 -0.31 0.41 0.00 0.00 173.24 172.55 1x5a s TYR 44 N -3.08 0.50 -0.27 2.43 2.02 -0.70 -1.02 117.35 117.23 1x5a s TYR 44 Ca 0.24 -0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 1x5a s TYR 44 Cb 0.05 -0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 41.17 1x5a s TYR 44 CO 0.12 -0.07 0.24 -2.00 -1.57 0.00 0.00 175.55 172.27 1x5a s GLU 45 N 0.31 3.99 -0.14 -0.62 2.56 -1.18 -1.01 118.70 122.61 1x5a s GLU 45 Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.97 54.71 1x5a s GLU 45 Cb -0.07 -3.64 -0.02 0.00 2.00 0.00 0.00 34.13 32.40 1x5a s GLU 45 CO -0.00 -0.16 -0.07 -1.17 -0.56 0.00 0.00 175.26 173.29 1x5a s LEU 46 N 1.72 3.07 -0.14 2.70 1.98 -1.01 -3.07 118.68 123.92 1x5a s LEU 46 Ca 0.09 -0.19 -0.02 0.00 -2.89 0.00 0.00 54.13 51.13 1x5a s LEU 46 Cb -0.16 -1.72 0.05 0.00 0.66 0.00 0.00 46.19 45.02 1x5a s LEU 46 CO 0.10 0.18 0.01 -2.28 -1.89 0.00 0.00 176.35 172.47 1x5a s HIS 47 N 0.28 0.97 -0.11 5.38 5.65 -0.80 0.54 115.29 127.19 1x5a s HIS 47 Ca -0.05 -0.63 -0.03 0.00 0.25 0.00 0.00 55.06 54.60 1x5a s HIS 47 Cb -0.15 -0.98 -0.03 0.00 -1.18 0.00 0.00 32.58 30.24 1x5a s HIS 47 CO 0.04 -0.51 0.02 0.08 -0.65 0.00 0.00 174.74 173.72 1x5a s VAL 48 N 1.87 4.47 0.08 0.89 1.01 -0.06 -2.20 120.40 126.47 1x5a s VAL 48 Ca 0.02 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1x5a s VAL 48 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1x5a s VAL 48 CO -0.07 0.58 -0.20 -0.76 0.00 0.00 0.00 175.10 174.64 1x5a s LEU 49 N -0.60 2.26 0.27 3.92 1.02 0.69 -0.98 118.68 125.25 1x5a s LEU 49 Ca 0.10 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 53.65 1x5a s LEU 49 Cb -0.12 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 1x5a s LEU 49 CO 0.02 0.08 0.17 0.21 0.02 0.00 0.00 176.35 176.85 1x5a s ASN 50 N -1.68 0.99 0.02 2.29 2.47 0.21 -1.54 114.94 117.72 1x5a s ASN 50 Ca 0.06 -1.53 -0.05 0.00 0.42 0.00 0.00 52.86 51.76 1x5a s ASN 50 Cb -0.10 0.42 -0.01 0.00 -1.45 0.00 0.00 41.25 40.11 1x5a s ASN 50 CO 0.03 -0.90 0.77 1.67 -3.72 0.00 0.00 177.10 174.95 1x5a n GLN 51 N -0.46 -0.06 -0.87 0.43 7.27 -1.26 -2.89 117.38 119.53 1x5a n GLN 51 Ca 0.03 0.77 0.05 0.00 0.07 0.00 0.00 57.00 57.92 1x5a n GLN 51 Cb 0.65 -1.15 0.11 0.00 2.41 0.00 0.00 30.24 32.27 1x5a n GLN 51 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1x5a n ASP 52 N -3.15 1.37 -3.64 1.69 -0.08 -1.26 -5.00 116.55 106.47 1x5a n ASP 52 Ca 0.00 -2.96 -0.24 0.00 -1.51 0.00 0.00 54.79 50.09 1x5a n ASP 52 Cb 0.04 -0.41 -0.17 0.00 2.34 0.00 0.00 41.12 42.92 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1x5a s GLU 53 N -1.73 0.06 -0.13 -0.67 0.41 -1.14 -5.13 118.70 110.37 1x5a s GLU 53 Ca 0.33 0.08 0.02 0.00 -0.41 0.00 0.00 54.97 54.99 1x5a s GLU 53 Cb 0.34 -1.32 0.01 0.00 -1.78 0.00 0.00 34.13 31.38 1x5a s GLU 53 CO -0.09 -0.53 -0.20 -2.00 -0.49 0.00 0.00 175.26 171.95 1x5a s GLU 54 N 2.13 2.80 -0.12 1.61 -6.30 -1.26 0.68 118.70 118.24 1x5a s GLU 54 Ca 0.03 -0.78 -0.09 0.00 -2.50 0.00 0.00 54.97 51.64 1x5a s GLU 54 Cb -0.14 -2.26 0.04 0.00 0.00 0.00 0.00 34.13 31.76 1x5a s GLU 54 CO -0.07 0.00 0.31 1.67 0.02 0.00 0.00 175.26 177.19 1x5a s TRP 55 N 0.79 -0.38 0.08 5.30 -2.14 -0.15 -5.02 118.94 117.42 1x5a s TRP 55 Ca -0.09 0.89 0.09 0.00 2.66 0.00 0.00 56.10 59.66 1x5a s TRP 55 Cb -0.16 0.12 -0.03 0.00 -3.10 0.00 0.00 33.47 30.30 1x5a s TRP 55 CO -0.00 -0.22 -0.24 -3.38 -2.66 0.00 0.00 176.95 170.46 1x5a s HIS 56 N 0.71 2.04 -0.11 1.66 -3.43 -1.26 -0.88 115.29 114.02 1x5a s HIS 56 Ca -0.04 -0.39 -0.05 0.00 -0.80 0.00 0.00 55.06 53.77 1x5a s HIS 56 Cb -0.06 -1.17 0.05 0.00 -1.43 0.00 0.00 32.58 29.98 1x5a s HIS 56 CO -0.05 0.19 0.25 1.14 -2.00 0.00 0.00 174.74 174.27 1x5a s GLN 57 N -1.58 0.19 -0.08 -0.38 -2.07 0.19 -4.96 119.66 110.97 1x5a s GLN 57 Ca 0.10 0.58 -0.30 0.00 -1.82 0.00 0.00 55.36 53.92 1x5a s GLN 57 Cb -0.10 -0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 31.70 1x5a s GLN 57 CO 0.03 -0.19 1.10 1.41 -1.32 0.00 0.00 175.29 176.32 1x5a s MET 58 N 1.51 4.39 0.03 9.60 -2.45 -1.26 -2.41 119.30 128.71 1x5a s MET 58 Ca -0.07 1.53 0.06 0.00 -1.25 0.00 0.00 55.69 55.96 1x5a s MET 58 Cb -0.11 -3.54 -0.03 0.00 1.25 0.00 0.00 34.83 32.40 1x5a s MET 58 CO -0.09 -0.37 -0.14 0.14 1.05 0.00 0.00 175.02 175.61 1x5a s VAL 59 N 2.07 3.09 0.00 10.11 -7.23 -0.18 -4.93 120.40 123.33 1x5a s VAL 59 Ca 0.52 -1.04 0.10 0.00 -1.81 0.00 0.00 61.98 59.76 1x5a s VAL 59 Cb -0.21 -2.32 -0.23 0.00 0.56 0.00 0.00 36.38 34.18 1x5a s VAL 59 CO 0.20 0.36 0.84 -0.07 -0.31 0.00 0.00 175.10 176.12 1x5a h LEU 60 N 4.54 0.01-10.09 1.32 3.38 -1.91 -1.85 115.31 110.72 1x5a h LEU 60 Ca -0.48 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 56.96 1x5a h LEU 60 Cb 1.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1x5a h LEU 60 CO 0.50 1.02 0.03 -1.83 0.09 0.00 0.00 178.44 178.25 1x5a s GLU 61 N -2.63 3.81 0.00 1.13 1.03 -1.26 -4.67 118.70 116.10 1x5a s GLU 61 Ca -0.03 0.40 0.10 0.00 0.03 0.00 0.00 54.97 55.47 1x5a s GLU 61 Cb 0.08 -2.48 0.61 0.00 -0.80 0.00 0.00 34.13 31.54 1x5a s GLU 61 CO 0.82 0.11 1.05 -0.35 -1.33 0.00 0.00 175.26 175.56 1x5a n PRO 62 N -0.85 0.49 -4.29 -4.83 -0.04 -1.26 -4.70 135.00 119.52 1x5a n PRO 62 Ca 0.02 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 1x5a n PRO 62 Cb 0.54 -1.33 -0.11 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 1.16 0.02 0.54 1.04 -1.26 -1.52 118.95 116.92 1x5a s ARG 63 Ca 0.15 -1.37 0.00 0.00 -1.04 0.00 0.00 55.73 53.48 1x5a s ARG 63 Cb 0.07 -1.04 -0.01 0.00 -2.04 0.00 0.00 34.95 31.92 1x5a s ARG 63 CO 0.12 0.20 -0.03 0.54 -0.04 0.00 0.00 175.30 176.09 1x5a s VAL 64 N -2.36 0.14 -0.23 4.99 0.11 -0.81 -4.92 120.40 117.32 1x5a s VAL 64 Ca 0.14 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1x5a s VAL 64 Cb -0.04 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 34.64 1x5a s VAL 64 CO 0.05 -0.31 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.19 1x5a s LEU 65 N -0.98 2.87 -0.16 2.54 1.98 -1.26 -2.09 118.68 121.58 1x5a s LEU 65 Ca -0.10 -1.18 -0.07 0.00 -2.89 0.00 0.00 54.13 49.90 1x5a s LEU 65 Cb -0.07 -1.38 -0.04 0.00 0.66 0.00 0.00 46.19 45.36 1x5a s LEU 65 CO -0.01 -0.18 0.07 -0.76 -1.89 0.00 0.00 176.35 173.59 1x5a s LEU 66 N 1.26 3.93 0.00 -0.68 1.43 -0.76 -5.02 118.68 118.84 1x5a s LEU 66 Ca -0.05 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1x5a s LEU 66 Cb -0.18 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1x5a s LEU 66 CO -0.07 0.26 0.14 0.35 0.23 0.00 0.00 176.35 177.26 1x5a n THR 67 N 2.99 0.00 -3.66 5.49 -2.24 -1.26 -1.61 114.28 113.99 1x5a n THR 67 Ca -0.18 -2.45 -0.23 0.00 -2.27 0.00 0.00 64.05 58.93 1x5a n THR 67 Cb 0.53 0.85 0.06 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.97 -6.27 -2.74 -0.78 5.02 -1.22 -4.94 118.16 106.26 1x5a n LYS 68 Ca -0.07 0.72 -0.19 0.00 -2.02 0.00 0.00 58.31 56.75 1x5a n LYS 68 Cb 0.63 -5.60 0.08 0.00 -0.02 0.00 0.00 35.03 30.12 1x5a n LYS 68 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x5a n LEU 69 N -4.53 0.00 -4.47 -0.35 4.77 -1.26 -5.05 117.00 106.11 1x5a n LEU 69 Ca -0.13 -2.25 -0.33 0.00 -0.03 0.00 0.00 56.01 53.27 1x5a n LEU 69 Cb 0.61 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1x5a n LEU 69 CO 0.68 -0.77 -0.45 -1.10 -1.33 0.00 0.00 177.39 174.41 1x5a s GLN 70 N -4.60 2.56 0.27 3.23 -1.52 -1.22 -4.52 119.66 113.86 1x5a s GLN 70 Ca 0.59 -0.69 -0.29 0.00 -1.95 0.00 0.00 55.36 53.01 1x5a s GLN 70 Cb -0.04 -2.40 -0.10 0.00 -0.22 0.00 0.00 33.01 30.26 1x5a s GLN 70 CO 0.38 0.60 1.25 -1.25 -0.25 0.00 0.00 175.29 176.02 1x5a s PRO 71 N -0.66 4.44 -1.21 2.91 0.04 -0.93 -3.50 135.00 136.10 1x5a s PRO 71 Ca 0.10 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.19 1x5a s PRO 71 Cb -0.11 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x5a s PRO 71 CO 0.01 -0.11 0.99 -3.47 0.04 0.00 0.00 177.00 174.46 1x5a n ASP 72 N 1.53 -2.01 -3.85 6.66 2.03 -0.91 -4.76 116.55 115.24 1x5a n ASP 72 Ca 0.02 -0.63 -0.17 0.00 0.52 0.00 0.00 54.79 54.53 1x5a n ASP 72 Cb 0.43 -5.08 -0.16 0.00 -0.72 0.00 0.00 41.12 35.59 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 -3.37 0.25 0.05 5.18 2.01 -1.23 -4.95 115.64 113.58 1x5a s THR 73 Ca 0.00 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 1x5a s THR 73 Cb -0.00 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.14 1x5a s THR 73 CO 0.73 0.15 1.27 -0.89 -0.69 0.00 0.00 174.62 175.19 1x5a s THR 74 N 0.85 3.85 -0.09 -0.82 2.01 -1.26 -3.11 115.64 117.08 1x5a s THR 74 Ca -0.09 1.31 0.02 0.00 0.31 0.00 0.00 61.69 63.24 1x5a s THR 74 Cb -0.12 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1x5a s THR 74 CO -0.01 0.08 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.57 1x5a s TYR 75 N 1.34 1.61 -0.19 4.92 2.02 0.27 -4.48 117.35 122.84 1x5a s TYR 75 Ca 0.60 -0.69 -0.13 0.00 -0.37 0.00 0.00 57.07 56.48 1x5a s TYR 75 Cb -0.31 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 1x5a s TYR 75 CO 0.28 -0.38 0.28 0.42 -1.57 0.00 0.00 175.55 174.58 1x5a s ILE 76 N 0.97 5.29 -0.02 2.71 -1.09 -0.59 -2.48 121.20 126.00 1x5a s ILE 76 Ca -0.08 0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1x5a s ILE 76 Cb -0.15 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1x5a s ILE 76 CO -0.00 0.34 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.21 1x5a s VAL 77 N 0.85 1.17 0.02 2.92 1.01 -1.23 -0.22 120.40 124.93 1x5a s VAL 77 Ca 0.15 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1x5a s VAL 77 Cb -0.13 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1x5a s VAL 77 CO 0.05 0.33 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 1x5a s ARG 78 N -0.24 0.44 -0.01 2.72 1.70 -0.93 -3.63 118.95 119.01 1x5a s ARG 78 Ca 0.03 -0.50 -0.10 0.00 -0.47 0.00 0.00 55.73 54.69 1x5a s ARG 78 Cb -0.07 -0.29 0.01 0.00 -0.57 0.00 0.00 34.95 34.04 1x5a s ARG 78 CO -0.00 0.06 0.21 0.54 -1.08 0.00 0.00 175.30 175.03 1x5a s VAL 79 N -0.86 0.07 0.30 4.99 0.11 -1.26 -1.91 120.40 121.84 1x5a s VAL 79 Ca -0.06 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1x5a s VAL 79 Cb -0.07 -0.50 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1x5a s VAL 79 CO 0.00 -0.32 0.43 0.00 -3.33 0.00 0.00 175.10 171.88 1x5a s ARG 80 N -1.31 1.74 -0.51 1.54 1.70 -1.17 -3.84 118.95 117.08 1x5a s ARG 80 Ca -0.14 -1.63 -0.06 0.00 -0.47 0.00 0.00 55.73 53.43 1x5a s ARG 80 Cb -0.06 0.43 0.13 0.00 -0.57 0.00 0.00 34.95 34.88 1x5a s ARG 80 CO 0.03 -0.70 0.36 0.99 -1.08 0.00 0.00 175.30 174.89 1x5a s THR 81 N -3.43 3.96 0.69 4.99 2.01 -1.26 -3.09 115.64 119.50 1x5a s THR 81 Ca 0.30 -2.17 -0.17 0.00 0.31 0.00 0.00 61.69 59.96 1x5a s THR 81 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1x5a s THR 81 CO 0.17 -0.80 0.14 0.18 -0.69 0.00 0.00 174.62 173.62 1x5a n LEU 82 N 4.44 -1.53 -4.15 4.42 7.99 -0.19 -4.62 117.00 123.37 1x5a n LEU 82 Ca -0.01 0.56 -0.14 0.00 -0.01 0.00 0.00 56.01 56.41 1x5a n LEU 82 Cb 0.41 -1.04 -0.11 0.00 -0.11 0.00 0.00 43.42 42.57 1x5a n LEU 82 CO 0.38 -4.04 -0.41 0.42 -1.51 0.00 0.00 177.39 172.22 1x5a s THR 83 N -1.94 0.83 0.16 -5.08 -4.23 -1.26 -4.54 115.64 99.58 1x5a s THR 83 Ca 0.59 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 59.46 1x5a s THR 83 Cb -0.37 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1x5a s THR 83 CO 0.64 -0.55 1.50 1.55 -0.54 0.00 0.00 174.62 177.22 1x5a h PRO 84 N 3.70 0.87 -4.30 3.99 0.13 -1.94 -3.41 132.00 131.04 1x5a h PRO 84 Ca -0.37 -0.46 -0.62 0.00 -0.87 0.00 0.00 66.00 63.69 1x5a h PRO 84 Cb 1.19 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1x5a h PRO 84 CO 0.51 1.10 -0.77 -0.48 -0.23 0.00 0.00 178.00 178.14 1x5a s LEU 85 N -8.81 2.96 -0.10 1.56 0.05 -1.26 -4.94 118.68 108.13 1x5a s LEU 85 Ca -0.10 -1.45 -0.03 0.00 0.05 0.00 0.00 54.13 52.60 1x5a s LEU 85 Cb 0.11 -1.22 0.01 0.00 -2.05 0.00 0.00 46.19 43.04 1x5a s LEU 85 CO 0.87 -0.29 0.05 0.61 -0.55 0.00 0.00 176.35 177.04 1x5a n GLY 86 N 4.61 -3.69 3.77 -3.48 0.00 -1.26 -4.99 105.19 100.15 1x5a n GLY 86 Ca -0.07 0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.77 3.78 1.02 1.61 0.04 -1.26 -4.74 135.00 134.68 1x5a s PRO 87 Ca -0.06 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1x5a s PRO 87 Cb 0.00 -2.43 0.22 0.00 0.04 0.00 0.00 34.50 32.33 1x5a s PRO 87 CO 0.33 -0.54 1.23 0.20 0.04 0.00 0.00 177.00 178.27 1x5a s GLY 88 N -1.34 1.69 0.26 0.56 0.00 -1.26 -5.00 107.32 102.23 1x5a s GLY 88 Ca 0.63 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 1x5a s GLY 88 CO 0.35 -0.26 0.23 -1.55 0.00 0.00 0.00 173.10 171.87 1x5a n PRO 89 N -4.06 -1.47 -4.54 2.90 -0.04 -1.26 -5.02 135.00 121.52 1x5a n PRO 89 Ca 0.13 -0.37 -0.33 0.00 -0.04 0.00 0.00 63.50 62.89 1x5a n PRO 89 Cb 0.59 -0.35 -0.13 0.00 -0.04 0.00 0.00 33.50 33.58 1x5a n PRO 89 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1x5a s PHE 90 N -1.42 2.95 0.80 0.54 0.08 -1.26 -4.83 117.98 114.84 1x5a s PHE 90 Ca 0.15 -0.42 -0.17 0.00 0.12 0.00 0.00 56.93 56.60 1x5a s PHE 90 Cb -0.01 -1.91 -0.14 0.00 -0.57 0.00 0.00 43.02 40.38 1x5a s PHE 90 CO 0.11 -0.10 -0.47 -1.13 -0.10 0.00 0.00 175.22 173.53 1x5a n SER 91 N 3.52 -4.88 -4.74 1.36 3.41 -1.25 -4.84 113.62 106.20 1x5a n SER 91 Ca -0.18 0.38 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 1x5a n SER 91 Cb 0.53 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.67 4.41 -0.85 4.33 0.04 -1.26 -4.82 135.00 135.18 1x5a s PRO 92 Ca 0.48 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 1x5a s PRO 92 Cb -0.31 -3.18 -0.19 0.00 0.04 0.00 0.00 34.50 30.86 1x5a s PRO 92 CO 0.75 -0.18 2.58 -0.40 0.04 0.00 0.00 177.00 179.79 1x5a n ASP 93 N 2.17 0.69 -4.57 6.66 5.75 -1.26 -4.83 116.55 121.16 1x5a n ASP 93 Ca 0.04 0.15 -0.43 0.00 -0.01 0.00 0.00 54.79 54.55 1x5a n ASP 93 Cb 0.43 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1x5a s HIS 94 N 9.02 2.75 -0.50 2.11 3.76 -1.24 -4.98 115.29 126.21 1x5a s HIS 94 Ca 1.28 0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 56.31 1x5a s HIS 94 Cb -1.13 -4.32 0.00 0.00 1.11 0.00 0.00 32.58 28.25 1x5a s HIS 94 CO 0.48 -1.38 1.51 -2.00 -0.85 0.00 0.00 174.74 172.50 1x5a s GLU 95 N 4.44 3.29 0.19 1.40 2.12 -1.26 -3.47 118.70 125.40 1x5a s GLU 95 Ca 0.41 0.71 0.10 0.00 0.36 0.00 0.00 54.97 56.56 1x5a s GLU 95 Cb -0.09 -4.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 1x5a s GLU 95 CO 0.26 -1.93 -0.18 -0.06 -0.54 0.00 0.00 175.26 172.81 1x5a s PHE 96 N 6.36 2.43 -0.03 5.30 0.08 -1.03 -5.00 117.98 126.10 1x5a s PHE 96 Ca 0.60 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 57.36 1x5a s PHE 96 Cb -0.13 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1x5a s PHE 96 CO 0.27 0.50 -0.04 0.50 -0.10 0.00 0.00 175.22 176.35 1x5a s ARG 97 N -2.71 0.60 0.57 0.44 3.52 -1.26 -0.57 118.95 119.54 1x5a s ARG 97 Ca 0.22 -0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.60 1x5a s ARG 97 Cb -0.08 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.64 1x5a s ARG 97 CO 0.12 -0.00 0.96 0.95 -0.81 0.00 0.00 175.30 176.52 1x5a s THR 98 N 0.50 4.74 0.44 4.11 -4.23 -1.18 -4.88 115.64 115.13 1x5a s THR 98 Ca -0.06 0.76 -0.24 0.00 -1.18 0.00 0.00 61.69 60.97 1x5a s THR 98 Cb -0.09 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.80 1x5a s THR 98 CO -0.00 -1.02 1.15 -0.24 -0.54 0.00 0.00 174.62 173.97 1x5a n SER 99 N -2.47 1.89 -4.77 3.99 2.88 -1.19 -3.50 113.62 110.45 1x5a n SER 99 Ca 0.05 1.05 -0.37 0.00 -1.33 0.00 0.00 58.87 58.27 1x5a n SER 99 Cb 0.54 -1.44 -0.01 0.00 -0.75 0.00 0.00 64.21 62.56 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 -2.21 3.69 1.15 -1.46 0.04 -1.26 -2.15 135.00 132.80 1x5a s PRO 100 Ca 0.64 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 1x5a s PRO 100 Cb -0.52 -2.34 0.29 0.00 0.04 0.00 0.00 34.50 31.97 1x5a s PRO 100 CO 0.56 -0.60 1.02 -0.35 0.04 0.00 0.00 177.00 177.67 1x5a n PRO 101 N -0.63 -3.02 -1.79 0.56 -0.04 -1.26 -4.87 135.00 123.95 1x5a n PRO 101 Ca 0.08 -1.64 -0.42 0.00 -0.04 0.00 0.00 63.50 61.48 1x5a n PRO 101 Cb 0.49 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1x5a n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5a s SER 102 N -4.26 6.52 -0.30 3.54 0.15 -1.26 -4.93 113.70 113.16 1x5a s SER 102 Ca 0.66 2.53 -0.18 0.00 0.70 0.00 0.00 55.95 59.66 1x5a s SER 102 Cb -0.07 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 61.90 1x5a s SER 102 CO 0.51 -1.01 1.23 -0.83 1.20 0.00 0.00 173.24 174.34 1x5a s GLY 103 N 4.02 0.18 0.88 9.45 0.00 -1.26 -5.17 107.32 115.41 1x5a s GLY 103 Ca 0.83 3.52 -0.11 0.00 0.00 0.00 0.00 44.72 48.96 1x5a s GLY 103 CO 0.37 3.39 1.09 2.56 0.00 0.00 0.00 173.10 180.51 1x5a s PRO 104 N 2.17 1.43 -0.48 2.90 0.04 -1.26 -5.02 135.00 134.77 1x5a s PRO 104 Ca -0.00 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 1x5a s PRO 104 Cb -0.02 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1x5a s PRO 104 CO -0.16 -2.14 0.30 0.45 0.04 0.00 0.00 177.00 175.49 1x5a s SER 105 N -3.42 5.38 0.15 6.66 0.15 -1.26 -4.97 113.70 116.39 1x5a s SER 105 Ca 0.63 -2.21 -0.20 0.00 0.70 0.00 0.00 55.95 54.86 1x5a s SER 105 Cb -0.18 -1.88 0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1x5a s SER 105 CO 0.57 -0.54 1.66 -1.28 1.20 0.00 0.00 173.24 174.85 1x5a h SER 106 N 7.89 -0.50 0.00 5.45 0.87 -2.09 -3.59 113.55 121.59 1x5a h SER 106 Ca -0.12 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1x5a h SER 106 Cb 1.03 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1x5a h SER 106 CO 0.74 -0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.46