#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 2.97 0.12 1.61 1.04 -1.26 -5.10 113.70 113.08 1x5a s SER 2 Ca 0.00 -0.66 -0.26 0.00 0.48 0.00 0.00 55.95 55.52 1x5a s SER 2 Cb 0.00 -1.18 0.08 0.00 0.10 0.00 0.00 66.02 65.02 1x5a s SER 2 CO 0.00 -0.10 1.05 -0.44 0.98 0.00 0.00 173.24 174.73 1x5a s SER 3 N 1.46 -0.12 0.00 7.02 0.01 -1.26 -5.12 113.70 115.69 1x5a s SER 3 Ca 0.02 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1x5a s SER 3 Cb -0.14 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1x5a s SER 3 CO -0.09 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1x5a n GLY 4 N -0.51 0.33 3.27 3.44 0.00 -1.26 -5.16 105.19 105.30 1x5a n GLY 4 Ca -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -0.11 0.00 1.61 0.15 -1.26 -5.08 113.70 109.02 1x5a s SER 5 Ca 0.00 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1x5a s SER 5 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x5a s SER 5 CO 0.00 -0.76 0.00 -1.54 1.20 0.00 0.00 173.24 172.14 1x5a n SER 6 N 0.00 1.16 0.00 5.45 3.41 -1.26 -5.16 113.62 117.23 1x5a n SER 6 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1x5a n SER 6 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1x5a n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5a n GLY 7 N 2.62 3.61 3.08 5.00 0.00 -1.26 -5.12 105.19 113.12 1x5a n GLY 7 Ca 0.00 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a s ALA 8 N -2.00 2.35 0.83 4.61 0.00 -1.26 -5.12 121.76 121.16 1x5a s ALA 8 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 51.96 50.48 1x5a s ALA 8 Cb 0.00 -1.34 0.16 0.00 0.00 0.00 0.00 23.12 21.94 1x5a s ALA 8 CO 0.00 -0.72 1.14 -1.21 0.00 0.00 0.00 175.76 174.97 1x5a s GLU 9 N 1.25 1.24 0.17 0.00 2.02 -1.26 -4.98 118.70 117.14 1x5a s GLU 9 Ca -0.01 -0.77 -0.32 0.00 0.02 0.00 0.00 54.97 53.90 1x5a s GLU 9 Cb -0.16 -2.11 -0.17 0.00 0.10 0.00 0.00 34.13 31.79 1x5a s GLU 9 CO -0.09 -1.87 0.88 0.45 0.02 0.00 0.00 175.26 174.65 1x5a n SER 10 N -3.25 0.11 -3.65 -0.19 2.88 -1.26 -4.96 113.62 103.30 1x5a n SER 10 Ca 0.15 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.80 1x5a n SER 10 Cb 0.60 -1.07 -0.07 0.00 -0.75 0.00 0.00 64.21 62.92 1x5a n SER 10 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x5a s LEU 11 N 1.39 -0.26 0.11 2.46 2.96 -1.26 -4.85 118.68 119.23 1x5a s LEU 11 Ca 0.71 0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 54.81 1x5a s LEU 11 Cb -0.93 1.45 -0.10 0.00 0.50 0.00 0.00 46.19 47.11 1x5a s LEU 11 CO 0.56 -0.08 1.65 -1.28 -1.32 0.00 0.00 176.35 175.88 1x5a h SER 12 N 4.51 -0.65 0.00 3.68 0.87 -1.98 -3.44 113.55 116.54 1x5a h SER 12 Ca -0.27 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1x5a h SER 12 Cb 1.18 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1x5a h SER 12 CO 0.18 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 176.76 1x5a n GLY 13 N -1.36 -1.82 3.14 5.77 0.00 -1.26 -5.18 105.19 104.48 1x5a n GLY 13 Ca -0.07 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 1x5a n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5a s LEU 14 N 0.00 2.49 -0.30 0.99 1.43 -1.26 -4.41 118.68 117.62 1x5a s LEU 14 Ca 0.00 -0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 52.02 1x5a s LEU 14 Cb 0.00 0.01 0.17 0.00 0.03 0.00 0.00 46.19 46.39 1x5a s LEU 14 CO 0.00 -0.50 0.80 -0.44 0.23 0.00 0.00 176.35 176.44 1x5a s SER 15 N -2.95 -0.95 -0.30 2.29 0.01 -1.26 -5.05 113.70 105.49 1x5a s SER 15 Ca 0.09 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.98 1x5a s SER 15 Cb 0.05 1.92 0.00 0.00 0.21 0.00 0.00 66.02 68.21 1x5a s SER 15 CO -0.06 -0.18 1.25 -0.76 0.41 0.00 0.00 173.24 173.90 1x5a s LEU 16 N 2.79 3.90 -0.11 2.44 1.43 -1.26 -4.00 118.68 123.86 1x5a s LEU 16 Ca 0.04 1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 54.30 1x5a s LEU 16 Cb -0.11 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1x5a s LEU 16 CO -0.18 -1.02 -0.03 -0.75 0.23 0.00 0.00 176.35 174.59 1x5a s LYS 17 N 4.03 3.26 -0.97 1.70 2.47 -1.23 -4.95 119.74 124.05 1x5a s LYS 17 Ca 0.54 -0.49 -0.21 0.00 -1.56 0.00 0.00 55.97 54.24 1x5a s LYS 17 Cb -0.16 -2.80 0.08 0.00 -1.46 0.00 0.00 37.83 33.49 1x5a s LYS 17 CO 0.21 0.47 1.30 -1.17 0.16 0.00 0.00 175.35 176.33 1x5a s LEU 18 N -0.26 4.15 0.04 5.43 2.96 -1.26 -2.94 118.68 126.80 1x5a s LEU 18 Ca 0.05 -1.66 -0.28 0.00 -0.22 0.00 0.00 54.13 52.01 1x5a s LEU 18 Cb -0.13 -2.50 -0.17 0.00 0.50 0.00 0.00 46.19 43.90 1x5a s LEU 18 CO 0.02 -1.33 1.45 -0.37 -1.32 0.00 0.00 176.35 174.80 1x5a h VAL 19 N 6.37 0.52 -4.16 1.68 -1.51 -1.92 -3.44 116.25 113.80 1x5a h VAL 19 Ca 0.16 -0.25 -0.60 0.00 -1.23 0.00 0.00 66.70 64.78 1x5a h VAL 19 Cb 1.02 0.64 -0.31 0.00 -2.13 0.00 0.00 31.29 30.51 1x5a h VAL 19 CO 1.29 0.04 -0.85 -0.75 -1.23 0.00 0.00 177.57 176.07 1x5a s LYS 20 N -5.44 1.86 -0.77 5.19 2.20 -1.26 -5.04 119.74 116.47 1x5a s LYS 20 Ca -0.16 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.73 1x5a s LYS 20 Cb 0.03 -1.68 0.19 0.00 -1.51 0.00 0.00 37.83 34.86 1x5a s LYS 20 CO 0.58 0.36 0.61 0.21 -0.36 0.00 0.00 175.35 176.75 1x5a s LYS 21 N -0.23 2.88 0.18 4.03 2.20 -1.26 -3.96 119.74 123.58 1x5a s LYS 21 Ca 0.02 -3.05 0.06 0.00 -0.36 0.00 0.00 55.97 52.63 1x5a s LYS 21 Cb -0.10 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 1x5a s LYS 21 CO 0.01 -1.24 0.10 -1.21 -0.36 0.00 0.00 175.35 172.65 1x5a s GLU 22 N -0.96 2.73 0.44 4.03 0.41 -0.64 -4.00 118.70 120.70 1x5a s GLU 22 Ca 0.24 -0.98 0.22 0.00 -0.41 0.00 0.00 54.97 54.04 1x5a s GLU 22 Cb -0.11 -2.53 0.97 0.00 -1.78 0.00 0.00 34.13 30.67 1x5a s GLU 22 CO -0.10 0.46 1.86 -1.00 -0.49 0.00 0.00 175.26 175.99 1x5a h PRO 23 N 2.38 0.00 0.00 0.39 0.13 -1.89 -3.19 132.00 129.81 1x5a h PRO 23 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1x5a h PRO 23 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1x5a h PRO 23 CO 0.61 0.25 -0.71 0.54 -0.23 0.00 0.00 178.00 178.46 1x5a n ARG 24 N -3.54 0.75 -3.64 0.86 1.74 -1.26 -2.42 116.66 109.15 1x5a n ARG 24 Ca -0.01 -2.52 -0.09 0.00 -0.77 0.00 0.00 57.85 54.47 1x5a n ARG 24 Cb 0.40 -0.81 -0.07 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.54 0.52 -0.26 5.56 0.74 -1.21 -3.20 119.66 120.27 1x5a s GLN 25 Ca 0.33 0.65 -0.07 0.00 0.05 0.00 0.00 55.36 56.33 1x5a s GLN 25 Cb 0.35 0.24 0.13 0.00 1.10 0.00 0.00 33.01 34.82 1x5a s GLN 25 CO -0.10 -0.07 0.53 -0.51 -0.55 0.00 0.00 175.29 174.59 1x5a s LEU 26 N 0.39 -0.96 0.23 3.68 1.43 0.47 -1.62 118.68 122.30 1x5a s LEU 26 Ca 0.01 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.31 1x5a s LEU 26 Cb -0.05 1.83 -0.04 0.00 0.03 0.00 0.00 46.19 47.96 1x5a s LEU 26 CO -0.07 -0.24 0.00 -0.70 0.23 0.00 0.00 176.35 175.57 1x5a s GLU 27 N 2.76 2.35 0.03 1.70 2.12 -1.25 -1.34 118.70 125.07 1x5a s GLU 27 Ca 0.02 -1.29 0.01 0.00 0.36 0.00 0.00 54.97 54.07 1x5a s GLU 27 Cb -0.13 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 1x5a s GLU 27 CO -0.17 0.40 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.39 1x5a s LEU 28 N -3.41 2.25 -0.07 2.70 1.43 -0.96 -3.04 118.68 117.56 1x5a s LEU 28 Ca 0.30 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1x5a s LEU 28 Cb -0.07 -0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.15 1x5a s LEU 28 CO 0.19 -0.25 0.05 0.28 0.23 0.00 0.00 176.35 176.86 1x5a s THR 29 N -1.41 0.02 -0.28 5.49 -1.32 -1.15 -2.68 115.64 114.30 1x5a s THR 29 Ca -0.13 0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.60 1x5a s THR 29 Cb -0.10 -0.34 0.07 0.00 -1.51 0.00 0.00 72.50 70.63 1x5a s THR 29 CO -0.00 0.10 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.80 1x5a s TRP 30 N 2.11 3.18 -0.06 9.09 -2.14 -1.10 -3.50 118.94 126.51 1x5a s TRP 30 Ca 0.04 -2.39 0.01 0.00 2.66 0.00 0.00 56.10 56.43 1x5a s TRP 30 Cb -0.13 -2.13 0.02 0.00 -3.10 0.00 0.00 33.47 28.13 1x5a s TRP 30 CO -0.05 -0.88 -0.08 0.00 -2.66 0.00 0.00 176.95 173.28 1x5a s ALA 31 N 1.12 1.01 -0.27 2.67 0.00 -1.26 -4.80 121.76 120.23 1x5a s ALA 31 Ca -0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 1x5a s ALA 31 Cb -0.19 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1x5a s ALA 31 CO -0.07 -0.03 1.57 0.20 0.00 0.00 0.00 175.76 177.43 1x5a s GLY 32 N 0.95 1.18 -0.64 0.00 0.00 -1.26 -4.92 107.32 102.62 1x5a s GLY 32 Ca -0.10 0.32 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 1x5a s GLY 32 CO 0.00 2.95 1.89 -0.45 0.00 0.00 0.00 173.10 177.50 1x5a s SER 33 N 4.22 5.22 -0.01 1.64 0.15 -1.26 -4.91 113.70 118.75 1x5a s SER 33 Ca 0.69 0.26 -0.23 0.00 0.70 0.00 0.00 55.95 57.37 1x5a s SER 33 Cb -0.22 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 1x5a s SER 33 CO 0.29 -2.44 0.51 -0.13 1.20 0.00 0.00 173.24 172.67 1x5a s ARG 34 N 7.09 0.92 0.00 5.44 0.52 -1.26 -5.02 118.95 126.64 1x5a s ARG 34 Ca 0.69 -0.04 0.15 0.00 -0.52 0.00 0.00 55.73 56.00 1x5a s ARG 34 Cb -0.12 0.42 0.77 0.00 0.52 0.00 0.00 34.95 36.55 1x5a s ARG 34 CO 0.19 -0.29 1.39 -0.35 0.02 0.00 0.00 175.30 176.25 1x5a n PRO 35 N 0.87 0.26 -3.60 3.54 -0.04 -1.26 -4.54 135.00 130.23 1x5a n PRO 35 Ca -0.20 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1x5a n PRO 35 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1x5a n PRO 35 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1x5a s ARG 36 N -2.47 0.46 -0.53 0.54 3.52 -1.26 -5.11 118.95 114.10 1x5a s ARG 36 Ca 0.16 1.20 -0.01 0.00 -0.13 0.00 0.00 55.73 56.95 1x5a s ARG 36 Cb 0.10 0.56 0.14 0.00 -1.56 0.00 0.00 34.95 34.19 1x5a s ARG 36 CO 0.22 -0.28 0.32 -0.80 -0.81 0.00 0.00 175.30 173.95 1x5a s ASN 37 N 2.76 5.02 -0.21 -2.12 -0.87 -1.26 -5.07 114.94 113.20 1x5a s ASN 37 Ca -0.01 -2.64 -0.29 0.00 -1.57 0.00 0.00 52.86 48.35 1x5a s ASN 37 Cb -0.12 -1.79 -0.03 0.00 -0.02 0.00 0.00 41.25 39.29 1x5a s ASN 37 CO -0.16 -0.38 1.60 -2.16 -2.57 0.00 0.00 177.10 173.43 1x5a s PRO 38 N 0.25 3.84 0.00 -0.60 0.04 -1.26 -4.91 135.00 132.36 1x5a s PRO 38 Ca 0.14 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1x5a s PRO 38 Cb -0.22 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1x5a s PRO 38 CO -0.03 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1x5a n GLY 39 N 4.58 1.88 0.03 0.56 0.00 -1.26 -5.13 105.19 105.86 1x5a n GLY 39 Ca 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.69 -1.96 1.55 -0.02 0.00 -1.26 -4.95 105.19 97.87 1x5a n GLY 40 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.94 5.37 -4.93 1.61 3.02 -1.26 -4.89 115.26 113.24 1x5a n ASN 41 Ca 0.00 -2.54 -0.25 0.00 -0.03 0.00 0.00 54.58 51.76 1x5a n ASN 41 Cb 0.00 -1.05 0.03 0.00 -0.61 0.00 0.00 39.78 38.14 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5a s LEU 42 N -0.46 3.36 0.29 3.41 1.43 -1.26 -5.04 118.68 120.41 1x5a s LEU 42 Ca 0.08 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1x5a s LEU 42 Cb 0.06 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1x5a s LEU 42 CO 0.00 -0.96 0.20 -0.44 0.23 0.00 0.00 176.35 175.37 1x5a s SER 43 N -4.29 1.32 -0.08 2.29 0.01 -1.26 -4.93 113.70 106.77 1x5a s SER 43 Ca 0.52 -1.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.11 1x5a s SER 43 Cb -0.10 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1x5a s SER 43 CO 0.42 -0.95 0.21 -0.31 0.41 0.00 0.00 173.24 173.03 1x5a s TYR 44 N -3.66 -0.23 -0.26 2.43 1.51 -0.08 -1.93 117.35 115.13 1x5a s TYR 44 Ca 0.38 0.56 -0.10 0.00 -1.01 0.00 0.00 57.07 56.91 1x5a s TYR 44 Cb 0.04 0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.93 1x5a s TYR 44 CO 0.20 -0.11 0.14 -2.00 -1.11 0.00 0.00 175.55 172.67 1x5a s GLU 45 N 0.12 3.88 -0.12 -0.62 2.56 -0.92 0.31 118.70 123.92 1x5a s GLU 45 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.97 54.57 1x5a s GLU 45 Cb -0.02 -3.52 -0.03 0.00 2.00 0.00 0.00 34.13 32.56 1x5a s GLU 45 CO 0.00 -0.13 0.02 -1.17 -0.56 0.00 0.00 175.26 173.42 1x5a s LEU 46 N 1.56 3.63 -0.10 2.70 1.98 -0.40 -2.86 118.68 125.18 1x5a s LEU 46 Ca 0.07 0.11 -0.02 0.00 -2.89 0.00 0.00 54.13 51.39 1x5a s LEU 46 Cb -0.15 -1.86 0.04 0.00 0.66 0.00 0.00 46.19 44.87 1x5a s LEU 46 CO 0.08 0.30 0.01 -2.28 -1.89 0.00 0.00 176.35 172.57 1x5a s HIS 47 N -0.40 0.70 -0.13 5.38 5.65 -0.79 0.50 115.29 126.19 1x5a s HIS 47 Ca 0.08 -0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.10 1x5a s HIS 47 Cb -0.12 -0.83 -0.01 0.00 -1.18 0.00 0.00 32.58 30.43 1x5a s HIS 47 CO 0.02 -0.39 -0.14 0.08 -0.65 0.00 0.00 174.74 173.66 1x5a s VAL 48 N 1.96 2.96 -0.17 0.89 1.01 0.42 -1.80 120.40 125.68 1x5a s VAL 48 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1x5a s VAL 48 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1x5a s VAL 48 CO -0.06 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.65 1x5a s LEU 49 N 0.37 2.41 0.50 3.92 1.02 0.85 -0.71 118.68 127.04 1x5a s LEU 49 Ca -0.11 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.56 1x5a s LEU 49 Cb -0.16 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.52 1x5a s LEU 49 CO 0.06 0.05 0.69 0.21 0.02 0.00 0.00 176.35 177.37 1x5a s ASN 50 N 1.04 5.43 0.01 2.29 3.84 0.22 -1.79 114.94 125.98 1x5a s ASN 50 Ca -0.01 -0.20 -0.02 0.00 0.21 0.00 0.00 52.86 52.84 1x5a s ASN 50 Cb -0.15 -0.76 -0.00 0.00 -0.55 0.00 0.00 41.25 39.79 1x5a s ASN 50 CO -0.04 -0.99 1.03 1.56 -2.79 0.00 0.00 177.10 175.86 1x5a h GLN 51 N 0.31 -0.00 -0.66 0.43 4.20 -2.00 -2.63 115.11 114.76 1x5a h GLN 51 Ca -0.41 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.87 1x5a h GLN 51 Cb 1.29 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.81 1x5a h GLN 51 CO 0.49 -0.00 -0.04 -3.47 -0.67 0.00 0.00 178.83 175.13 1x5a n ASP 52 N -3.05 4.48 -3.75 1.46 2.03 -1.26 -4.99 116.55 111.46 1x5a n ASP 52 Ca 0.00 -3.77 -0.10 0.00 0.52 0.00 0.00 54.79 51.44 1x5a n ASP 52 Cb 0.01 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.73 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x5a s GLU 53 N -3.50 1.21 -0.27 -0.67 0.41 -0.99 -5.16 118.70 109.73 1x5a s GLU 53 Ca 0.52 -0.88 -0.05 0.00 -0.41 0.00 0.00 54.97 54.15 1x5a s GLU 53 Cb 0.44 0.47 0.15 0.00 -1.78 0.00 0.00 34.13 33.40 1x5a s GLU 53 CO 0.01 -0.48 0.54 -2.00 -0.49 0.00 0.00 175.26 172.84 1x5a s GLU 54 N -3.87 0.49 0.02 1.61 2.12 -1.26 0.70 118.70 118.50 1x5a s GLU 54 Ca 0.08 1.04 0.03 0.00 0.36 0.00 0.00 54.97 56.49 1x5a s GLU 54 Cb 0.01 0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.79 1x5a s GLU 54 CO -0.06 -0.45 -0.09 1.67 -0.54 0.00 0.00 175.26 175.79 1x5a s TRP 55 N 2.77 0.80 0.01 5.30 -2.14 0.11 -4.98 118.94 120.81 1x5a s TRP 55 Ca 0.09 -0.27 0.04 0.00 2.66 0.00 0.00 56.10 58.62 1x5a s TRP 55 Cb -0.14 -0.49 -0.02 0.00 -3.10 0.00 0.00 33.47 29.72 1x5a s TRP 55 CO -0.18 -0.02 -0.13 -3.38 -2.66 0.00 0.00 176.95 170.58 1x5a s HIS 56 N -0.64 1.18 -0.09 1.66 -3.43 -1.26 -0.44 115.29 112.27 1x5a s HIS 56 Ca -0.01 -0.28 -0.05 0.00 -0.80 0.00 0.00 55.06 53.92 1x5a s HIS 56 Cb -0.06 -0.73 0.04 0.00 -1.43 0.00 0.00 32.58 30.40 1x5a s HIS 56 CO 0.00 0.01 0.22 1.14 -2.00 0.00 0.00 174.74 174.10 1x5a s GLN 57 N -0.71 0.18 -0.11 -0.38 -2.07 0.18 -4.97 119.66 111.77 1x5a s GLN 57 Ca 0.03 0.47 -0.30 0.00 -1.82 0.00 0.00 55.36 53.74 1x5a s GLN 57 Cb -0.06 -0.12 -0.01 0.00 -1.09 0.00 0.00 33.01 31.73 1x5a s GLN 57 CO 0.00 -0.15 1.01 1.41 -1.32 0.00 0.00 175.29 176.24 1x5a s MET 58 N 1.13 4.41 0.06 9.60 -2.45 -1.26 -1.28 119.30 129.52 1x5a s MET 58 Ca -0.08 1.40 0.04 0.00 -1.25 0.00 0.00 55.69 55.79 1x5a s MET 58 Cb -0.10 -3.55 -0.04 0.00 1.25 0.00 0.00 34.83 32.40 1x5a s MET 58 CO -0.07 -0.33 -0.00 0.14 1.05 0.00 0.00 175.02 175.81 1x5a s VAL 59 N 2.06 4.04 -0.19 10.11 -7.23 0.15 -4.88 120.40 124.47 1x5a s VAL 59 Ca 0.48 -0.87 0.20 0.00 -1.81 0.00 0.00 61.98 59.98 1x5a s VAL 59 Cb -0.18 -2.89 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 1x5a s VAL 59 CO 0.18 0.20 0.98 -0.07 -0.31 0.00 0.00 175.10 176.07 1x5a h LEU 60 N 3.72 0.00 -9.43 1.32 3.38 -1.93 -0.19 115.31 112.19 1x5a h LEU 60 Ca -0.48 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.87 1x5a h LEU 60 Cb 1.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 1x5a h LEU 60 CO 0.59 0.26 -0.68 -1.83 0.09 0.00 0.00 178.44 176.86 1x5a s GLU 61 N -3.17 2.32 0.00 1.13 -1.05 -1.26 -4.62 118.70 112.06 1x5a s GLU 61 Ca -0.01 -1.10 0.13 0.00 -0.15 0.00 0.00 54.97 53.84 1x5a s GLU 61 Cb 0.09 -2.33 0.78 0.00 -0.44 0.00 0.00 34.13 32.23 1x5a s GLU 61 CO 0.79 0.47 1.21 -0.35 0.95 0.00 0.00 175.26 178.33 1x5a n PRO 62 N 0.09 0.49 -4.04 -4.83 -0.04 -1.26 -4.54 135.00 120.87 1x5a n PRO 62 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 1x5a n PRO 62 Cb 0.54 -1.42 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.94 -0.09 0.54 1.70 -1.26 -2.72 118.95 118.06 1x5a s ARG 63 Ca 0.20 -0.89 0.02 0.00 -0.47 0.00 0.00 55.73 54.59 1x5a s ARG 63 Cb 0.09 -2.78 -0.02 0.00 -0.57 0.00 0.00 34.95 31.67 1x5a s ARG 63 CO 0.15 -0.29 -0.13 0.54 -1.08 0.00 0.00 175.30 174.49 1x5a s VAL 64 N 1.31 3.10 -0.37 4.99 0.11 -1.09 -4.98 120.40 123.47 1x5a s VAL 64 Ca 0.02 -0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 58.32 1x5a s VAL 64 Cb -0.15 -2.25 0.05 0.00 -1.53 0.00 0.00 36.38 32.50 1x5a s VAL 64 CO -0.08 0.56 0.16 -0.22 -3.33 0.00 0.00 175.10 172.19 1x5a s LEU 65 N -0.26 4.65 -0.21 2.54 1.98 -1.26 -2.27 118.68 123.85 1x5a s LEU 65 Ca 0.02 -1.30 -0.12 0.00 -2.89 0.00 0.00 54.13 49.84 1x5a s LEU 65 Cb -0.13 -1.91 -0.05 0.00 0.66 0.00 0.00 46.19 44.76 1x5a s LEU 65 CO 0.03 -0.41 0.22 -0.76 -1.89 0.00 0.00 176.35 173.54 1x5a s LEU 66 N 1.40 4.16 0.00 -0.68 1.43 -0.45 -4.99 118.68 119.56 1x5a s LEU 66 Ca 0.01 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1x5a s LEU 66 Cb -0.21 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1x5a s LEU 66 CO 0.02 0.07 0.11 0.35 0.23 0.00 0.00 176.35 177.13 1x5a n THR 67 N 4.01 0.00 -3.71 5.49 -2.24 -1.26 -0.39 114.28 116.18 1x5a n THR 67 Ca -0.13 -2.06 -0.26 0.00 -2.27 0.00 0.00 64.05 59.33 1x5a n THR 67 Cb 0.52 0.70 0.06 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.83 -6.85 -2.05 -0.78 5.02 -1.19 -4.92 118.16 106.55 1x5a n LYS 68 Ca -0.07 0.74 -0.14 0.00 -2.02 0.00 0.00 58.31 56.82 1x5a n LYS 68 Cb 0.53 -5.71 0.06 0.00 -0.02 0.00 0.00 35.03 29.90 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 -4.80 0.00 -4.46 -0.35 4.77 -1.26 -5.06 117.00 105.85 1x5a n LEU 69 Ca -0.02 -1.47 -0.33 0.00 -0.03 0.00 0.00 56.01 54.17 1x5a n LEU 69 Cb 0.56 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 1x5a n LEU 69 CO 0.69 -0.73 -0.45 -1.10 -1.33 0.00 0.00 177.39 174.47 1x5a s GLN 70 N -3.91 2.68 0.32 3.23 -0.21 -1.23 -4.58 119.66 115.96 1x5a s GLN 70 Ca 0.41 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 1x5a s GLN 70 Cb -0.03 -2.43 -0.10 0.00 1.00 0.00 0.00 33.01 31.45 1x5a s GLN 70 CO 0.26 0.55 1.23 -1.25 -2.12 0.00 0.00 175.29 173.96 1x5a s PRO 71 N -0.53 4.43 -1.20 2.91 0.04 -1.01 -3.55 135.00 136.09 1x5a s PRO 71 Ca 0.07 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 1x5a s PRO 71 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1x5a s PRO 71 CO 0.02 -0.06 1.00 -3.47 0.04 0.00 0.00 177.00 174.52 1x5a n ASP 72 N 0.87 -2.15 -3.88 6.66 2.03 -1.02 -4.80 116.55 114.26 1x5a n ASP 72 Ca -0.00 -0.62 -0.11 0.00 0.52 0.00 0.00 54.79 54.58 1x5a n ASP 72 Cb 0.43 -5.11 -0.13 0.00 -0.72 0.00 0.00 41.12 35.60 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 -3.36 0.03 -0.14 5.18 2.01 -1.23 -4.95 115.64 113.18 1x5a s THR 73 Ca 0.01 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 1x5a s THR 73 Cb -0.01 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1x5a s THR 73 CO 0.73 -0.14 0.74 -0.89 -0.69 0.00 0.00 174.62 174.38 1x5a s THR 74 N -0.41 4.97 -0.22 -0.82 2.01 -1.26 -2.46 115.64 117.45 1x5a s THR 74 Ca -0.05 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.44 1x5a s THR 74 Cb -0.03 -4.06 0.03 0.00 0.01 0.00 0.00 72.50 68.45 1x5a s THR 74 CO 0.00 0.12 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.60 1x5a s TYR 75 N 1.63 2.99 0.05 4.92 2.02 -0.27 -4.33 117.35 124.36 1x5a s TYR 75 Ca 0.36 -1.86 -0.28 0.00 -0.37 0.00 0.00 57.07 54.93 1x5a s TYR 75 Cb -0.17 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.40 1x5a s TYR 75 CO 0.14 -0.82 0.87 0.42 -1.57 0.00 0.00 175.55 174.59 1x5a s ILE 76 N 1.23 4.69 0.03 2.71 -1.09 -0.74 -3.48 121.20 124.55 1x5a s ILE 76 Ca -0.00 1.85 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 1x5a s ILE 76 Cb -0.16 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 1x5a s ILE 76 CO -0.09 0.30 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.18 1x5a s VAL 77 N 0.21 0.33 -0.18 2.92 1.01 -1.24 -0.10 120.40 123.35 1x5a s VAL 77 Ca 0.44 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1x5a s VAL 77 Cb -0.21 -0.42 0.06 0.00 0.00 0.00 0.00 36.38 35.81 1x5a s VAL 77 CO 0.26 -0.38 0.42 0.00 0.00 0.00 0.00 175.10 175.40 1x5a s ARG 78 N -1.36 0.38 0.02 2.72 1.70 -0.74 -3.45 118.95 118.22 1x5a s ARG 78 Ca -0.11 0.84 0.07 0.00 -0.47 0.00 0.00 55.73 56.05 1x5a s ARG 78 Cb -0.09 0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.31 1x5a s ARG 78 CO -0.00 -0.18 -0.20 0.54 -1.08 0.00 0.00 175.30 174.39 1x5a s VAL 79 N 1.63 1.56 0.01 4.99 0.11 -1.26 -1.89 120.40 125.55 1x5a s VAL 79 Ca -0.08 -1.03 -0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1x5a s VAL 79 Cb -0.09 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1x5a s VAL 79 CO -0.13 0.28 -0.00 0.00 -3.33 0.00 0.00 175.10 171.92 1x5a s ARG 80 N -0.87 0.15 -0.73 1.54 1.70 -1.14 -3.63 118.95 115.97 1x5a s ARG 80 Ca 0.07 -0.25 -0.25 0.00 -0.47 0.00 0.00 55.73 54.83 1x5a s ARG 80 Cb -0.08 0.05 0.05 0.00 -0.57 0.00 0.00 34.95 34.40 1x5a s ARG 80 CO 0.01 -0.02 1.18 0.99 -1.08 0.00 0.00 175.30 176.38 1x5a s THR 81 N -0.62 3.93 0.97 4.99 2.01 -1.26 -2.15 115.64 123.51 1x5a s THR 81 Ca -0.07 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 1x5a s THR 81 Cb -0.04 -4.85 0.17 0.00 0.01 0.00 0.00 72.50 67.79 1x5a s THR 81 CO -0.00 -1.73 1.08 -0.76 -0.69 0.00 0.00 174.62 172.52 1x5a s LEU 82 N 5.13 1.92 0.11 4.42 1.02 -0.81 -4.01 118.68 126.46 1x5a s LEU 82 Ca 0.31 1.54 -0.09 0.00 0.02 0.00 0.00 54.13 55.91 1x5a s LEU 82 Cb -0.10 -3.81 -0.00 0.00 0.02 0.00 0.00 46.19 42.30 1x5a s LEU 82 CO 0.12 -3.11 0.22 0.42 0.02 0.00 0.00 176.35 174.02 1x5a s THR 83 N -2.80 0.12 0.19 5.49 -4.23 -1.26 -4.34 115.64 108.81 1x5a s THR 83 Ca 0.65 -1.18 0.27 0.00 -1.18 0.00 0.00 61.69 60.25 1x5a s THR 83 Cb -0.20 -1.43 0.28 0.00 1.34 0.00 0.00 72.50 72.48 1x5a s THR 83 CO 0.59 -0.55 1.91 1.55 -0.54 0.00 0.00 174.62 177.58 1x5a h PRO 84 N 2.68 0.00 -3.28 3.99 0.13 -1.97 -3.38 132.00 130.16 1x5a h PRO 84 Ca -0.34 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.17 1x5a h PRO 84 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1x5a h PRO 84 CO 0.54 0.16 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.26 1x5a s LEU 85 N -6.76 3.33 -0.05 1.56 1.43 -1.26 -4.97 118.68 111.96 1x5a s LEU 85 Ca -0.00 -2.64 -0.04 0.00 -1.03 0.00 0.00 54.13 50.42 1x5a s LEU 85 Cb 0.11 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1x5a s LEU 85 CO 0.61 -0.27 0.07 0.61 0.23 0.00 0.00 176.35 177.59 1x5a n GLY 86 N 3.55 -3.69 3.76 -3.19 0.00 -1.26 -4.98 105.19 99.39 1x5a n GLY 86 Ca 0.06 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.96 4.46 1.17 1.61 0.04 -1.26 -4.52 135.00 135.54 1x5a s PRO 87 Ca -0.08 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 1x5a s PRO 87 Cb 0.01 -3.12 0.27 0.00 0.04 0.00 0.00 34.50 31.70 1x5a s PRO 87 CO 0.23 -0.04 1.06 0.20 0.04 0.00 0.00 177.00 178.49 1x5a s GLY 88 N -0.62 1.54 0.17 0.56 0.00 -1.26 -4.94 107.32 102.76 1x5a s GLY 88 Ca 0.47 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 1x5a s GLY 88 CO 0.48 0.19 0.15 -1.55 0.00 0.00 0.00 173.10 172.37 1x5a n PRO 89 N -4.74 -1.31 -4.56 2.90 -0.04 -1.26 -4.93 135.00 121.07 1x5a n PRO 89 Ca 0.08 -0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1x5a n PRO 89 Cb 0.58 -0.22 -0.13 0.00 -0.04 0.00 0.00 33.50 33.69 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 -1.27 2.94 0.79 0.54 0.08 -1.26 -4.63 117.98 115.18 1x5a s PHE 90 Ca 0.10 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 1x5a s PHE 90 Cb -0.01 -1.90 -0.08 0.00 -0.57 0.00 0.00 43.02 40.46 1x5a s PHE 90 CO 0.07 -0.08 0.04 -1.13 -0.10 0.00 0.00 175.22 174.02 1x5a n SER 91 N 3.47 -3.08 -4.75 1.36 3.41 -1.24 -4.87 113.62 107.92 1x5a n SER 91 Ca -0.18 0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 58.47 1x5a n SER 91 Cb 0.53 -1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 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 -2.39 4.42 -0.47 4.33 0.04 -1.26 -4.82 135.00 134.86 1x5a s PRO 92 Ca 0.56 2.05 -0.43 0.00 0.04 0.00 0.00 61.00 63.21 1x5a s PRO 92 Cb -0.31 -3.17 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 1x5a s PRO 92 CO 0.68 -0.16 1.73 -0.40 0.04 0.00 0.00 177.00 178.89 1x5a n ASP 93 N 1.96 0.95 -4.40 6.66 5.75 -1.26 -4.87 116.55 121.34 1x5a n ASP 93 Ca 0.03 0.91 -0.43 0.00 -0.01 0.00 0.00 54.79 55.30 1x5a n ASP 93 Cb 0.43 -0.84 -0.10 0.00 -1.03 0.00 0.00 41.12 39.59 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 4.06 3.25 -0.53 2.11 3.76 -1.22 -5.03 115.29 121.70 1x5a s HIS 94 Ca 1.05 -0.88 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 1x5a s HIS 94 Cb -1.41 -2.77 -0.00 0.00 1.11 0.00 0.00 32.58 29.50 1x5a s HIS 94 CO 0.71 -0.70 1.60 -2.00 -0.85 0.00 0.00 174.74 173.50 1x5a s GLU 95 N 1.61 3.14 0.01 1.40 2.12 -1.26 -3.69 118.70 122.03 1x5a s GLU 95 Ca 0.04 0.68 0.04 0.00 0.36 0.00 0.00 54.97 56.08 1x5a s GLU 95 Cb -0.21 -4.20 -0.03 0.00 0.26 0.00 0.00 34.13 29.94 1x5a s GLU 95 CO 0.07 -2.12 -0.09 -0.06 -0.54 0.00 0.00 175.26 172.52 1x5a s PHE 96 N 6.96 2.81 -0.01 5.30 0.08 -1.23 -5.02 117.98 126.88 1x5a s PHE 96 Ca 0.61 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.64 1x5a s PHE 96 Cb -0.13 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1x5a s PHE 96 CO 0.26 0.34 -0.22 0.50 -0.10 0.00 0.00 175.22 176.00 1x5a s ARG 97 N -1.39 1.72 0.05 0.44 3.52 -1.26 -1.11 118.95 120.92 1x5a s ARG 97 Ca 0.16 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.86 1x5a s ARG 97 Cb -0.11 -1.69 -0.06 0.00 -1.56 0.00 0.00 34.95 31.54 1x5a s ARG 97 CO 0.07 0.46 0.37 0.95 -0.81 0.00 0.00 175.30 176.34 1x5a s THR 98 N -0.55 5.13 0.34 4.11 -4.23 -1.03 -4.89 115.64 114.51 1x5a s THR 98 Ca 0.08 0.45 -0.25 0.00 -1.18 0.00 0.00 61.69 60.79 1x5a s THR 98 Cb -0.08 -3.64 -0.14 0.00 1.34 0.00 0.00 72.50 69.98 1x5a s THR 98 CO -0.00 0.35 0.73 -0.24 -0.54 0.00 0.00 174.62 174.91 1x5a n SER 99 N 1.08 -0.06 -4.77 3.99 2.88 -1.24 -3.07 113.62 112.43 1x5a n SER 99 Ca -0.10 1.05 -0.33 0.00 -1.33 0.00 0.00 58.87 58.16 1x5a n SER 99 Cb 0.52 -1.16 0.04 0.00 -0.75 0.00 0.00 64.21 62.86 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 -1.49 2.91 0.74 -1.46 0.04 -1.26 -2.44 135.00 132.03 1x5a s PRO 100 Ca 0.62 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1x5a s PRO 100 Cb -0.69 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 31.93 1x5a s PRO 100 CO 0.58 -1.17 1.10 -1.25 0.04 0.00 0.00 177.00 176.30 1x5a s PRO 101 N -3.94 2.40 0.84 0.56 0.04 -1.26 -4.85 135.00 128.78 1x5a s PRO 101 Ca 0.68 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1x5a s PRO 101 Cb -0.21 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.52 1x5a s PRO 101 CO 0.39 -1.54 1.13 -1.12 0.04 0.00 0.00 177.00 175.89 1x5a s SER 102 N -3.17 3.66 0.38 6.66 0.01 -1.26 -4.77 113.70 115.21 1x5a s SER 102 Ca 0.63 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.95 1x5a s SER 102 Cb -0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1x5a s SER 102 CO 0.52 -2.61 0.00 0.61 0.41 0.00 0.00 173.24 172.17 1x5a n GLY 103 N -0.32 -4.78 3.67 3.44 0.00 -1.26 -4.82 105.19 101.12 1x5a n GLY 103 Ca 0.11 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1x5a n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 104 N -2.76 4.23 0.72 1.61 0.04 -1.26 -5.00 135.00 132.58 1x5a s PRO 104 Ca 0.00 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1x5a s PRO 104 Cb 0.00 -3.74 0.03 0.00 0.04 0.00 0.00 34.50 30.83 1x5a s PRO 104 CO 0.00 -0.70 1.10 0.45 0.04 0.00 0.00 177.00 177.89 1x5a s SER 105 N 2.41 4.84 -0.29 6.66 0.15 -1.26 -5.04 113.70 121.17 1x5a s SER 105 Ca 0.66 1.88 -0.01 0.00 0.70 0.00 0.00 55.95 59.18 1x5a s SER 105 Cb -0.31 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.56 1x5a s SER 105 CO 0.26 -1.81 0.07 -0.94 1.20 0.00 0.00 173.24 172.02 1x5a s SER 106 N -3.07 3.87 0.00 5.45 1.04 -1.26 -5.28 113.70 114.45 1x5a s SER 106 Ca 0.63 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1x5a s SER 106 Cb -0.18 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.05 1x5a s SER 106 CO 0.50 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.95