#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a n SER 2 N 0.00 1.25 -3.97 1.61 3.41 -1.26 -5.01 113.62 109.65 1x5a n SER 2 Ca 0.00 0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.52 1x5a n SER 2 Cb 0.00 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 1x5a n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5a n SER 3 N -3.80 -3.60 -1.81 4.04 2.88 -1.26 -4.96 113.62 105.10 1x5a n SER 3 Ca -0.34 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 1x5a n SER 3 Cb 0.74 -3.54 0.00 0.00 -0.75 0.00 0.00 64.21 60.66 1x5a n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 4 N -1.64 -1.20 3.47 0.46 0.00 -1.26 -4.97 105.19 100.06 1x5a n GLY 4 Ca -0.02 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.49 5.84 -0.04 1.61 1.04 -1.26 -5.06 113.70 114.34 1x5a s SER 5 Ca 0.00 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1x5a s SER 5 Cb 0.00 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.07 1x5a s SER 5 CO 0.00 -0.26 0.05 -0.44 0.98 0.00 0.00 173.24 173.57 1x5a s SER 6 N 1.66 1.01 -0.41 7.02 0.01 -1.26 -5.04 113.70 116.68 1x5a s SER 6 Ca 0.05 0.05 0.09 0.00 1.31 0.00 0.00 55.95 57.45 1x5a s SER 6 Cb -0.18 -0.16 0.36 0.00 0.21 0.00 0.00 66.02 66.25 1x5a s SER 6 CO 0.08 -0.22 1.14 0.61 0.41 0.00 0.00 173.24 175.26 1x5a n GLY 7 N 5.09 1.34 2.88 3.44 0.00 -1.26 -5.04 105.19 111.63 1x5a n GLY 7 Ca -0.08 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.03 3.44 -3.76 4.61 0.00 -1.26 -5.02 120.51 118.49 1x5a n ALA 8 Ca 0.06 -4.54 -0.36 0.00 0.00 0.00 0.00 53.44 48.60 1x5a n ALA 8 Cb 0.76 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 1x5a n ALA 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x5a s GLU 9 N -1.51 2.29 -0.65 0.00 -1.05 -1.26 -4.94 118.70 111.59 1x5a s GLU 9 Ca 0.26 -2.28 -0.01 0.00 -0.15 0.00 0.00 54.97 52.79 1x5a s GLU 9 Cb -0.03 -3.63 0.44 0.00 -0.44 0.00 0.00 34.13 30.46 1x5a s GLU 9 CO -0.17 -1.13 1.95 0.45 0.95 0.00 0.00 175.26 177.32 1x5a n SER 10 N 3.86 7.43 -4.64 0.83 2.88 -1.26 -5.02 113.62 117.70 1x5a n SER 10 Ca 0.04 -3.79 -0.43 0.00 -1.33 0.00 0.00 58.87 53.36 1x5a n SER 10 Cb 0.39 -0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1x5a n SER 10 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1x5a n LEU 11 N -0.86 2.71 -0.04 2.46 7.94 -1.26 -4.93 117.00 123.01 1x5a n LEU 11 Ca 0.60 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 56.53 1x5a n LEU 11 Cb 0.65 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 43.11 1x5a n LEU 11 CO 0.73 -1.09 0.39 -1.28 -1.11 0.00 0.00 177.39 175.03 1x5a h SER 12 N 2.04 -0.03 0.00 1.96 0.87 -1.99 -3.46 113.55 112.94 1x5a h SER 12 Ca -0.43 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 59.40 1x5a h SER 12 Cb 1.32 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1x5a h SER 12 CO 0.60 0.78 0.00 0.61 -0.53 0.00 0.00 176.83 178.29 1x5a n GLY 13 N 1.26 0.00 2.62 5.77 0.00 -1.26 -5.06 105.19 108.52 1x5a n GLY 13 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 3.66 -4.50 0.99 4.77 -1.26 -4.15 117.00 116.51 1x5a n LEU 14 Ca 0.00 -5.48 -0.43 0.00 -0.03 0.00 0.00 56.01 50.07 1x5a n LEU 14 Cb 0.00 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1x5a n LEU 14 CO 0.00 2.21 0.69 -0.94 -1.33 0.00 0.00 177.39 178.02 1x5a s SER 15 N -2.85 6.29 -0.18 -1.43 1.04 -1.26 -4.90 113.70 110.41 1x5a s SER 15 Ca 0.44 -0.57 -0.39 0.00 0.48 0.00 0.00 55.95 55.91 1x5a s SER 15 Cb 0.22 -2.41 -0.15 0.00 0.10 0.00 0.00 66.02 63.78 1x5a s SER 15 CO -0.08 -1.22 1.69 0.18 0.98 0.00 0.00 173.24 174.79 1x5a n LEU 16 N 7.31 2.43 -4.55 2.42 4.77 -1.26 -4.74 117.00 123.37 1x5a n LEU 16 Ca -0.01 1.07 -0.33 0.00 -0.03 0.00 0.00 56.01 56.71 1x5a n LEU 16 Cb 0.47 -1.19 -0.12 0.00 -2.33 0.00 0.00 43.42 40.25 1x5a n LEU 16 CO 0.62 -0.48 -0.40 -0.75 -1.33 0.00 0.00 177.39 175.05 1x5a s LYS 17 N 3.01 2.62 -0.80 3.23 2.47 -1.22 -5.03 119.74 124.01 1x5a s LYS 17 Ca 0.95 -0.64 -0.17 0.00 -1.56 0.00 0.00 55.97 54.55 1x5a s LYS 17 Cb -0.99 -2.50 0.16 0.00 -1.46 0.00 0.00 37.83 33.04 1x5a s LYS 17 CO 0.60 0.64 0.88 -1.17 0.16 0.00 0.00 175.35 176.45 1x5a s LEU 18 N -0.93 5.81 0.00 5.43 2.96 -1.26 -2.79 118.68 127.90 1x5a s LEU 18 Ca 0.13 -2.14 -0.24 0.00 -0.22 0.00 0.00 54.13 51.66 1x5a s LEU 18 Cb -0.11 -2.30 -0.15 0.00 0.50 0.00 0.00 46.19 44.14 1x5a s LEU 18 CO 0.02 -0.89 1.08 0.58 -1.32 0.00 0.00 176.35 175.83 1x5a h VAL 19 N 5.45 0.29 -2.23 1.68 2.07 -1.84 -3.45 116.25 118.22 1x5a h VAL 19 Ca 0.02 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.92 1x5a h VAL 19 Cb 1.05 0.43 -0.29 0.00 -1.52 0.00 0.00 31.29 30.95 1x5a h VAL 19 CO 0.97 0.05 -0.44 -0.75 0.02 0.00 0.00 177.57 177.42 1x5a s LYS 20 N -4.43 0.32 -0.00 1.57 2.20 -0.76 -5.05 119.74 113.58 1x5a s LYS 20 Ca -0.13 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.10 1x5a s LYS 20 Cb 0.02 -0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 1x5a s LYS 20 CO 0.44 -0.46 0.36 -1.59 -0.36 0.00 0.00 175.35 173.74 1x5a s LYS 21 N 2.56 3.79 0.18 4.03 -2.85 -1.26 -1.00 119.74 125.19 1x5a s LYS 21 Ca 0.06 0.26 0.05 0.00 -1.00 0.00 0.00 55.97 55.33 1x5a s LYS 21 Cb -0.14 -3.17 -0.05 0.00 -2.06 0.00 0.00 37.83 32.42 1x5a s LYS 21 CO -0.14 0.68 -0.09 -1.21 0.10 0.00 0.00 175.35 174.70 1x5a s GLU 22 N -1.26 1.17 0.52 1.78 2.02 0.52 -4.61 118.70 118.84 1x5a s GLU 22 Ca 0.24 -1.53 0.30 0.00 0.02 0.00 0.00 54.97 54.01 1x5a s GLU 22 Cb -0.15 -0.70 1.26 0.00 0.10 0.00 0.00 34.13 34.64 1x5a s GLU 22 CO 0.13 0.05 1.95 -1.00 0.02 0.00 0.00 175.26 176.42 1x5a h PRO 23 N 2.67 0.00 0.00 0.39 0.13 -1.91 -3.02 132.00 130.27 1x5a h PRO 23 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.64 0.09 0.00 0.54 -0.23 0.00 0.00 178.00 179.03 1x5a n ARG 24 N -3.25 1.16 -4.21 0.86 1.74 -1.26 -0.18 116.66 111.51 1x5a n ARG 24 Ca 0.00 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.83 1x5a n ARG 24 Cb 0.33 -0.51 -0.10 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.20 1.19 -0.27 5.56 -0.44 -1.23 -1.72 119.66 122.55 1x5a s GLN 25 Ca 0.00 -1.62 -0.06 0.00 -2.50 0.00 0.00 55.36 51.18 1x5a s GLN 25 Cb 0.00 0.16 0.13 0.00 -1.64 0.00 0.00 33.01 31.67 1x5a s GLN 25 CO 0.00 -0.35 0.54 -0.51 0.50 0.00 0.00 175.29 175.47 1x5a s LEU 26 N -3.17 -1.00 -0.31 3.68 1.43 -0.64 -0.35 118.68 118.32 1x5a s LEU 26 Ca 0.36 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.49 1x5a s LEU 26 Cb 0.07 1.87 0.01 0.00 0.03 0.00 0.00 46.19 48.18 1x5a s LEU 26 CO 0.11 -0.24 0.09 -0.70 0.23 0.00 0.00 176.35 175.84 1x5a s GLU 27 N 2.77 3.00 0.29 1.70 2.12 -0.17 -2.57 118.70 125.85 1x5a s GLU 27 Ca 0.03 -0.92 0.10 0.00 0.36 0.00 0.00 54.97 54.55 1x5a s GLU 27 Cb -0.13 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 1x5a s GLU 27 CO -0.17 -0.49 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.39 1x5a s LEU 28 N 1.49 2.63 -0.21 2.70 1.43 -1.19 -1.83 118.68 123.70 1x5a s LEU 28 Ca 0.02 -1.10 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 1x5a s LEU 28 Cb -0.18 -0.99 0.08 0.00 0.03 0.00 0.00 46.19 45.13 1x5a s LEU 28 CO 0.03 -0.09 0.48 0.28 0.23 0.00 0.00 176.35 177.28 1x5a s THR 29 N -2.63 -0.32 -0.35 5.49 -1.32 -1.12 -2.70 115.64 112.70 1x5a s THR 29 Ca 0.30 0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 60.84 1x5a s THR 29 Cb -0.01 -0.73 0.07 0.00 -1.51 0.00 0.00 72.50 70.32 1x5a s THR 29 CO 0.14 0.04 0.11 -1.66 -2.21 0.00 0.00 174.62 171.04 1x5a s TRP 30 N 1.98 3.39 -0.01 9.09 -2.14 0.46 -3.43 118.94 128.27 1x5a s TRP 30 Ca -0.07 -1.98 0.03 0.00 2.66 0.00 0.00 56.10 56.74 1x5a s TRP 30 Cb -0.09 -2.60 -0.00 0.00 -3.10 0.00 0.00 33.47 27.67 1x5a s TRP 30 CO -0.14 -0.86 -0.10 0.00 -2.66 0.00 0.00 176.95 173.19 1x5a s ALA 31 N 1.25 0.88 0.00 2.67 0.00 -1.26 -4.79 121.76 120.50 1x5a s ALA 31 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1x5a s ALA 31 Cb -0.21 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1x5a s ALA 31 CO -0.01 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1x5a n GLY 32 N 2.99 -1.82 3.52 0.00 0.00 -1.26 -4.89 105.19 103.73 1x5a n GLY 32 Ca -0.15 0.80 -0.16 0.00 0.00 0.00 0.00 46.02 46.51 1x5a n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5a s SER 33 N 0.00 -0.63 0.34 1.61 0.01 -1.26 -4.62 113.70 109.15 1x5a s SER 33 Ca 0.00 0.92 -0.28 0.00 1.31 0.00 0.00 55.95 57.90 1x5a s SER 33 Cb 0.00 0.86 -0.10 0.00 0.21 0.00 0.00 66.02 66.99 1x5a s SER 33 CO 0.00 -0.44 1.28 -0.60 0.41 0.00 0.00 173.24 173.90 1x5a s ARG 34 N -0.56 4.30 0.00 12.44 3.52 -1.26 -4.89 118.95 132.51 1x5a s ARG 34 Ca -0.07 2.16 0.14 0.00 -0.13 0.00 0.00 55.73 57.83 1x5a s ARG 34 Cb -0.02 -3.01 0.82 0.00 -1.56 0.00 0.00 34.95 31.17 1x5a s ARG 34 CO 0.06 -0.21 1.24 -0.35 -0.81 0.00 0.00 175.30 175.23 1x5a n PRO 35 N 0.69 0.49 -1.84 5.12 -0.04 -1.26 -4.63 135.00 133.53 1x5a n PRO 35 Ca 0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 1x5a n PRO 35 Cb 0.42 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1x5a n PRO 35 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5a s ARG 36 N -2.00 2.01 -0.29 0.54 1.81 -1.26 -4.80 118.95 114.95 1x5a s ARG 36 Ca 0.21 -0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 53.84 1x5a s ARG 36 Cb 0.09 -5.01 0.14 0.00 -0.45 0.00 0.00 34.95 29.73 1x5a s ARG 36 CO 0.16 -4.22 0.62 1.21 -0.68 0.00 0.00 175.30 172.39 1x5a s ASN 37 N 8.56 -1.15 0.00 0.23 3.84 -1.26 -5.01 114.94 120.15 1x5a s ASN 37 Ca 0.78 1.36 0.14 0.00 0.21 0.00 0.00 52.86 55.35 1x5a s ASN 37 Cb -0.07 2.21 0.84 0.00 -0.55 0.00 0.00 41.25 43.69 1x5a s ASN 37 CO 0.08 -0.23 1.26 -0.81 -2.79 0.00 0.00 177.10 174.61 1x5a n PRO 38 N 5.44 0.49 0.00 0.43 -0.04 -1.26 -4.53 135.00 135.53 1x5a n PRO 38 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1x5a n PRO 38 Cb 0.50 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1x5a n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5a n GLY 39 N -0.03 0.61 0.00 0.55 0.00 -1.26 -5.11 105.19 99.96 1x5a n GLY 39 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.65 0.70 2.72 -0.02 0.00 -1.26 -5.10 105.19 102.88 1x5a n GLY 40 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1x5a n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5a s ASN 41 N -1.06 3.77 0.07 1.61 2.20 -1.26 -5.10 114.94 115.16 1x5a s ASN 41 Ca 0.00 -2.38 -0.05 0.00 -0.94 0.00 0.00 52.86 49.49 1x5a s ASN 41 Cb 0.00 -1.01 -0.02 0.00 -2.00 0.00 0.00 41.25 38.22 1x5a s ASN 41 CO 0.00 -0.31 0.08 -0.76 -2.94 0.00 0.00 177.10 173.18 1x5a s LEU 42 N 0.67 1.93 0.48 3.54 1.43 -1.26 -5.14 118.68 120.33 1x5a s LEU 42 Ca 0.16 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1x5a s LEU 42 Cb -0.23 0.62 -0.02 0.00 0.03 0.00 0.00 46.19 46.59 1x5a s LEU 42 CO -0.05 -0.65 0.11 -0.44 0.23 0.00 0.00 176.35 175.55 1x5a s SER 43 N -2.81 4.23 -0.01 2.29 0.01 -1.26 -4.94 113.70 111.21 1x5a s SER 43 Ca 0.05 -1.42 -0.00 0.00 1.31 0.00 0.00 55.95 55.88 1x5a s SER 43 Cb 0.06 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.45 1x5a s SER 43 CO -0.10 -0.77 0.02 -0.31 0.41 0.00 0.00 173.24 172.49 1x5a s TYR 44 N -2.78 0.01 -0.25 2.43 2.02 0.04 -1.76 117.35 117.06 1x5a s TYR 44 Ca 0.23 0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.88 1x5a s TYR 44 Cb 0.03 -0.10 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 1x5a s TYR 44 CO 0.13 -0.04 0.18 -2.00 -1.57 0.00 0.00 175.55 172.25 1x5a s GLU 45 N 0.45 4.03 -0.11 -0.62 2.56 -0.46 -0.37 118.70 124.18 1x5a s GLU 45 Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.97 54.65 1x5a s GLU 45 Cb -0.05 -3.58 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 1x5a s GLU 45 CO -0.01 -0.04 -0.04 -1.17 -0.56 0.00 0.00 175.26 173.45 1x5a s LEU 46 N 1.34 3.31 -0.14 2.70 1.98 -1.00 -2.42 118.68 124.44 1x5a s LEU 46 Ca 0.08 -0.03 -0.03 0.00 -2.89 0.00 0.00 54.13 51.26 1x5a s LEU 46 Cb -0.14 -1.76 0.05 0.00 0.66 0.00 0.00 46.19 44.99 1x5a s LEU 46 CO 0.07 0.28 0.05 -2.28 -1.89 0.00 0.00 176.35 172.58 1x5a s HIS 47 N -0.28 0.50 -0.13 5.38 5.65 -0.67 -0.05 115.29 125.69 1x5a s HIS 47 Ca 0.05 -0.36 -0.04 0.00 0.25 0.00 0.00 55.06 54.95 1x5a s HIS 47 Cb -0.13 -0.78 -0.03 0.00 -1.18 0.00 0.00 32.58 30.46 1x5a s HIS 47 CO 0.02 -0.46 0.02 0.08 -0.65 0.00 0.00 174.74 173.75 1x5a s VAL 48 N 2.03 4.44 -0.18 0.89 1.01 0.39 -2.44 120.40 126.55 1x5a s VAL 48 Ca 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1x5a s VAL 48 Cb -0.15 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1x5a s VAL 48 CO -0.07 0.55 -0.18 -0.76 0.00 0.00 0.00 175.10 174.63 1x5a s LEU 49 N -0.32 2.17 0.59 3.92 1.02 -0.22 -0.68 118.68 125.16 1x5a s LEU 49 Ca 0.07 -0.69 -0.00 0.00 0.02 0.00 0.00 54.13 53.53 1x5a s LEU 49 Cb -0.12 -1.44 0.04 0.00 0.02 0.00 0.00 46.19 44.69 1x5a s LEU 49 CO 0.02 -0.02 0.83 0.21 0.02 0.00 0.00 176.35 177.41 1x5a s ASN 50 N 1.30 5.12 0.00 2.29 3.84 0.48 -2.32 114.94 125.65 1x5a s ASN 50 Ca 0.04 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.16 1x5a s ASN 50 Cb -0.14 -0.85 0.00 0.00 -0.55 0.00 0.00 41.25 39.71 1x5a s ASN 50 CO -0.12 -1.28 0.98 0.00 -2.79 0.00 0.00 177.10 173.89 1x5a n GLN 51 N -2.48 0.00 -0.68 0.43 1.13 -1.26 -2.77 117.38 111.75 1x5a n GLN 51 Ca 0.08 0.91 -0.00 0.00 -1.94 0.00 0.00 57.00 56.05 1x5a n GLN 51 Cb 0.60 -1.48 0.22 0.00 0.11 0.00 0.00 30.24 29.69 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1x5a n ASP 52 N -2.77 2.98 -3.91 1.08 9.92 -1.26 -5.00 116.55 117.59 1x5a n ASP 52 Ca 0.00 -3.50 -0.08 0.00 -0.53 0.00 0.00 54.79 50.68 1x5a n ASP 52 Cb 0.00 -0.61 -0.08 0.00 -0.64 0.00 0.00 41.12 39.79 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x5a s GLU 53 N -3.10 0.79 -0.13 -1.24 0.41 -1.11 -5.17 118.70 109.14 1x5a s GLU 53 Ca 0.44 -1.02 -0.07 0.00 -0.41 0.00 0.00 54.97 53.91 1x5a s GLU 53 Cb 0.38 0.31 0.05 0.00 -1.78 0.00 0.00 34.13 33.10 1x5a s GLU 53 CO 0.03 -0.23 0.31 -2.00 -0.49 0.00 0.00 175.26 172.89 1x5a s GLU 54 N -3.87 0.28 -0.12 1.61 -6.30 -1.26 0.18 118.70 109.22 1x5a s GLU 54 Ca 0.05 0.65 -0.11 0.00 -2.50 0.00 0.00 54.97 53.07 1x5a s GLU 54 Cb 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 34.13 34.15 1x5a s GLU 54 CO -0.11 -0.17 0.32 1.67 0.02 0.00 0.00 175.26 177.00 1x5a s TRP 55 N 1.41 -0.35 0.20 5.30 -2.14 0.14 -4.96 118.94 118.54 1x5a s TRP 55 Ca -0.09 0.86 0.08 0.00 2.66 0.00 0.00 56.10 59.61 1x5a s TRP 55 Cb -0.10 0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.35 1x5a s TRP 55 CO -0.10 -0.17 -0.15 -3.38 -2.66 0.00 0.00 176.95 170.48 1x5a s HIS 56 N 0.15 1.75 -0.26 1.66 -3.43 -1.26 -0.46 115.29 113.44 1x5a s HIS 56 Ca -0.00 -0.55 -0.11 0.00 -0.80 0.00 0.00 55.06 53.60 1x5a s HIS 56 Cb -0.02 -0.81 0.10 0.00 -1.43 0.00 0.00 32.58 30.42 1x5a s HIS 56 CO 0.00 0.38 0.59 1.14 -2.00 0.00 0.00 174.74 174.85 1x5a s GLN 57 N -3.56 0.54 0.08 -0.38 -2.07 0.92 -4.96 119.66 110.23 1x5a s GLN 57 Ca 0.22 1.25 -0.31 0.00 -1.82 0.00 0.00 55.36 54.71 1x5a s GLN 57 Cb -0.01 0.50 -0.06 0.00 -1.09 0.00 0.00 33.01 32.35 1x5a s GLN 57 CO 0.07 -0.20 1.21 1.41 -1.32 0.00 0.00 175.29 176.46 1x5a s MET 58 N 2.40 4.44 0.21 9.60 -2.45 -1.26 -2.38 119.30 129.86 1x5a s MET 58 Ca -0.06 1.79 0.10 0.00 -1.25 0.00 0.00 55.69 56.27 1x5a s MET 58 Cb -0.10 -3.33 -0.05 0.00 1.25 0.00 0.00 34.83 32.60 1x5a s MET 58 CO -0.17 -0.24 -0.20 0.14 1.05 0.00 0.00 175.02 175.60 1x5a s VAL 59 N 0.92 2.15 -0.20 10.11 -7.23 0.50 -4.90 120.40 121.75 1x5a s VAL 59 Ca 0.58 -2.13 0.12 0.00 -1.81 0.00 0.00 61.98 58.74 1x5a s VAL 59 Cb -0.30 -2.08 -0.21 0.00 0.56 0.00 0.00 36.38 34.36 1x5a s VAL 59 CO 0.30 -0.32 -0.03 0.18 -0.31 0.00 0.00 175.10 174.92 1x5a n LEU 60 N -0.06 1.02 -4.87 1.32 4.77 -1.26 -0.78 117.00 117.14 1x5a n LEU 60 Ca -0.10 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.53 1x5a n LEU 60 Cb 0.58 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1x5a n LEU 60 CO 0.32 0.61 0.45 -1.83 -1.33 0.00 0.00 177.39 175.62 1x5a s GLU 61 N -2.46 3.80 0.00 3.23 1.03 -1.26 -4.55 118.70 118.50 1x5a s GLU 61 Ca -0.17 0.51 0.10 0.00 0.03 0.00 0.00 54.97 55.44 1x5a s GLU 61 Cb 0.06 -2.38 0.60 0.00 -0.80 0.00 0.00 34.13 31.61 1x5a s GLU 61 CO 0.69 -0.03 1.04 -0.35 -1.33 0.00 0.00 175.26 175.28 1x5a n PRO 62 N -1.24 0.49 -4.30 -4.83 -0.04 -1.26 -4.68 135.00 119.14 1x5a n PRO 62 Ca 0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1x5a n PRO 62 Cb 0.54 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.95 -0.03 0.54 1.70 -1.26 -0.40 118.95 118.44 1x5a s ARG 63 Ca 0.15 -0.89 0.03 0.00 -0.47 0.00 0.00 55.73 54.55 1x5a s ARG 63 Cb 0.07 -1.00 0.00 0.00 -0.57 0.00 0.00 34.95 33.45 1x5a s ARG 63 CO 0.12 0.24 -0.13 0.54 -1.08 0.00 0.00 175.30 174.99 1x5a s VAL 64 N -1.04 1.09 -0.40 4.99 0.11 -1.10 -4.92 120.40 119.13 1x5a s VAL 64 Ca 0.01 -0.53 -0.06 0.00 -2.93 0.00 0.00 61.98 58.48 1x5a s VAL 64 Cb -0.09 -0.95 0.09 0.00 -1.53 0.00 0.00 36.38 33.90 1x5a s VAL 64 CO 0.02 0.32 0.21 -0.22 -3.33 0.00 0.00 175.10 172.11 1x5a s LEU 65 N 0.14 5.06 -0.26 2.54 1.98 -1.26 -3.14 118.68 123.73 1x5a s LEU 65 Ca -0.04 -1.68 -0.12 0.00 -2.89 0.00 0.00 54.13 49.40 1x5a s LEU 65 Cb -0.10 -1.90 -0.05 0.00 0.66 0.00 0.00 46.19 44.80 1x5a s LEU 65 CO 0.01 -0.51 0.25 -0.76 -1.89 0.00 0.00 176.35 173.45 1x5a s LEU 66 N 1.30 4.06 0.00 -0.68 1.43 -1.06 -4.98 118.68 118.75 1x5a s LEU 66 Ca 0.04 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1x5a s LEU 66 Cb -0.23 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1x5a s LEU 66 CO -0.01 -0.06 0.12 0.35 0.23 0.00 0.00 176.35 176.99 1x5a n THR 67 N 4.79 0.00 -3.68 5.49 -2.24 -1.26 -1.62 114.28 115.76 1x5a n THR 67 Ca -0.12 -2.03 -0.23 0.00 -2.27 0.00 0.00 64.05 59.40 1x5a n THR 67 Cb 0.52 0.25 0.05 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.28 -5.78 -2.52 -0.78 5.02 -1.04 -4.94 118.16 106.83 1x5a n LYS 68 Ca -0.13 0.69 -0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1x5a n LYS 68 Cb 0.56 -5.47 0.01 0.00 -0.02 0.00 0.00 35.03 30.11 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 -4.43 0.00 -4.34 -0.35 4.77 -0.70 -5.06 117.00 106.88 1x5a n LEU 69 Ca -0.18 -1.50 -0.31 0.00 -0.03 0.00 0.00 56.01 53.99 1x5a n LEU 69 Cb 0.63 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1x5a n LEU 69 CO 0.68 -0.50 -0.56 -1.10 -1.33 0.00 0.00 177.39 174.58 1x5a s GLN 70 N -3.31 1.99 0.67 3.23 -1.52 -1.25 -4.53 119.66 114.94 1x5a s GLN 70 Ca 0.23 -1.00 -0.14 0.00 -1.95 0.00 0.00 55.36 52.49 1x5a s GLN 70 Cb -0.02 -2.04 0.01 0.00 -0.22 0.00 0.00 33.01 30.74 1x5a s GLN 70 CO 0.15 0.54 1.11 -1.25 -0.25 0.00 0.00 175.29 175.58 1x5a s PRO 71 N -0.95 2.75 -1.39 2.91 0.04 0.75 -3.76 135.00 135.34 1x5a s PRO 71 Ca 0.11 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 1x5a s PRO 71 Cb -0.10 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x5a s PRO 71 CO 0.01 -1.29 0.38 -0.25 0.04 0.00 0.00 177.00 175.89 1x5a n ASP 72 N -2.53 -0.90 -4.01 6.66 8.00 -0.93 -4.89 116.55 117.95 1x5a n ASP 72 Ca 0.10 -1.11 -0.20 0.00 0.71 0.00 0.00 54.79 54.30 1x5a n ASP 72 Cb 0.52 -2.59 -0.15 0.00 -0.02 0.00 0.00 41.12 38.88 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5a s THR 73 N -3.98 0.75 -0.26 -3.53 2.01 -1.25 -4.94 115.64 104.45 1x5a s THR 73 Ca 0.10 -0.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 1x5a s THR 73 Cb -0.05 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 1x5a s THR 73 CO 0.92 0.23 0.87 -0.89 -0.69 0.00 0.00 174.62 175.06 1x5a s THR 74 N 0.00 4.79 -0.04 -0.82 2.01 -1.26 -2.47 115.64 117.85 1x5a s THR 74 Ca 0.00 1.59 0.06 0.00 0.31 0.00 0.00 61.69 63.65 1x5a s THR 74 Cb -0.06 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 1x5a s THR 74 CO 0.00 -0.14 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.25 1x5a s TYR 75 N 2.96 2.23 -0.23 4.92 2.02 -0.54 -4.40 117.35 124.31 1x5a s TYR 75 Ca 0.36 -0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 56.39 1x5a s TYR 75 Cb -0.15 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 1x5a s TYR 75 CO 0.08 -0.15 0.13 0.42 -1.57 0.00 0.00 175.55 174.46 1x5a s ILE 76 N -0.27 5.13 0.03 2.71 -1.09 -0.98 -1.85 121.20 124.87 1x5a s ILE 76 Ca 0.01 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.61 1x5a s ILE 76 Cb -0.12 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1x5a s ILE 76 CO 0.02 0.37 -0.25 -0.69 -1.23 0.00 0.00 174.94 173.16 1x5a s VAL 77 N 0.95 2.00 -0.14 2.92 1.01 -1.19 -1.05 120.40 124.89 1x5a s VAL 77 Ca 0.06 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1x5a s VAL 77 Cb -0.13 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.61 1x5a s VAL 77 CO 0.03 0.38 0.31 0.00 0.00 0.00 0.00 175.10 175.83 1x5a s ARG 78 N -1.06 0.23 0.02 2.72 1.70 -1.02 -3.11 118.95 118.44 1x5a s ARG 78 Ca 0.10 0.77 0.07 0.00 -0.47 0.00 0.00 55.73 56.20 1x5a s ARG 78 Cb -0.10 0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.29 1x5a s ARG 78 CO 0.01 -0.23 -0.21 0.54 -1.08 0.00 0.00 175.30 174.33 1x5a s VAL 79 N 2.07 1.64 -0.05 4.99 0.11 -1.26 -1.67 120.40 126.22 1x5a s VAL 79 Ca -0.03 -1.08 -0.10 0.00 -2.93 0.00 0.00 61.98 57.84 1x5a s VAL 79 Cb -0.11 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 1x5a s VAL 79 CO -0.10 0.29 0.24 0.00 -3.33 0.00 0.00 175.10 172.20 1x5a s ARG 80 N -0.93 0.43 -0.01 1.54 1.04 -1.02 -3.66 118.95 116.34 1x5a s ARG 80 Ca 0.08 0.04 -0.30 0.00 -1.04 0.00 0.00 55.73 54.50 1x5a s ARG 80 Cb -0.08 0.19 -0.05 0.00 -2.04 0.00 0.00 34.95 32.97 1x5a s ARG 80 CO 0.01 -0.09 1.33 0.99 -0.04 0.00 0.00 175.30 177.50 1x5a s THR 81 N -0.59 3.87 0.08 4.99 2.01 -1.26 -1.35 115.64 123.39 1x5a s THR 81 Ca -0.07 1.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.96 1x5a s THR 81 Cb -0.04 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1x5a s THR 81 CO 0.02 0.00 0.65 -0.76 -0.69 0.00 0.00 174.62 173.84 1x5a s LEU 82 N 2.25 4.51 0.05 4.42 1.43 -0.72 -2.55 118.68 128.07 1x5a s LEU 82 Ca 0.61 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1x5a s LEU 82 Cb -0.29 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 1x5a s LEU 82 CO 0.25 0.19 -0.08 0.42 0.23 0.00 0.00 176.35 177.37 1x5a s THR 83 N -0.80 0.59 0.24 5.49 -4.23 -1.26 -4.24 115.64 111.44 1x5a s THR 83 Ca 0.32 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1x5a s THR 83 Cb -0.20 -0.85 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 1x5a s THR 83 CO 0.21 -0.48 1.61 1.55 -0.54 0.00 0.00 174.62 176.97 1x5a h PRO 84 N 4.17 0.44 -3.38 3.99 0.13 -2.00 -3.35 132.00 131.99 1x5a h PRO 84 Ca -0.36 -0.23 -0.62 0.00 -0.87 0.00 0.00 66.00 63.92 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 0.46 0.80 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.81 1x5a s LEU 85 N -8.36 3.41 0.00 1.56 1.43 -1.26 -4.88 118.68 110.58 1x5a s LEU 85 Ca -0.06 -2.58 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 1x5a s LEU 85 Cb 0.12 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1x5a s LEU 85 CO 0.81 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.71 1x5a n GLY 86 N 3.63 -0.12 3.75 -3.19 0.00 -1.26 -5.03 105.19 102.96 1x5a n GLY 86 Ca 0.06 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.78 4.41 0.88 1.61 0.04 -1.26 -4.70 135.00 134.21 1x5a s PRO 87 Ca 0.00 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 1x5a s PRO 87 Cb 0.00 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.44 1x5a s PRO 87 CO 0.00 -0.18 0.79 0.41 0.04 0.00 0.00 177.00 178.06 1x5a n GLY 88 N 1.92 -1.08 3.68 0.56 0.00 -1.06 -4.92 105.19 104.29 1x5a n GLY 88 Ca 0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1x5a n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 89 N -3.89 0.51 -0.21 1.61 0.04 -1.26 -4.77 135.00 127.02 1x5a s PRO 89 Ca 0.64 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 1x5a s PRO 89 Cb -0.25 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1x5a s PRO 89 CO 0.60 -2.69 0.75 -0.06 0.04 0.00 0.00 177.00 175.64 1x5a s PHE 90 N -2.96 3.35 0.77 0.56 0.08 -1.26 -4.62 117.98 113.91 1x5a s PHE 90 Ca 0.65 1.06 -0.17 0.00 0.12 0.00 0.00 56.93 58.60 1x5a s PHE 90 Cb -0.19 -2.94 -0.11 0.00 -0.57 0.00 0.00 43.02 39.22 1x5a s PHE 90 CO 0.58 -0.29 -0.18 -1.13 -0.10 0.00 0.00 175.22 174.10 1x5a n SER 91 N 5.50 -3.82 -4.74 1.36 3.41 -1.24 -4.85 113.62 109.23 1x5a n SER 91 Ca 0.02 0.44 -0.41 0.00 -0.26 0.00 0.00 58.87 58.66 1x5a n SER 91 Cb 0.49 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.00 4.40 -0.50 4.33 0.04 -1.26 -4.80 135.00 135.21 1x5a s PRO 92 Ca 0.53 2.05 -0.44 0.00 0.04 0.00 0.00 61.00 63.18 1x5a s PRO 92 Cb -0.32 -3.19 -0.19 0.00 0.04 0.00 0.00 34.50 30.84 1x5a s PRO 92 CO 0.70 -0.23 2.13 -0.40 0.04 0.00 0.00 177.00 179.25 1x5a n ASP 93 N 2.48 0.78 -4.48 6.66 5.75 -1.26 -4.86 116.55 121.62 1x5a n ASP 93 Ca 0.05 0.69 -0.43 0.00 -0.01 0.00 0.00 54.79 55.09 1x5a n ASP 93 Cb 0.43 -0.91 -0.08 0.00 -1.03 0.00 0.00 41.12 39.54 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 5.96 3.13 -0.36 2.11 3.76 -1.18 -4.98 115.29 123.73 1x5a s HIS 94 Ca 1.20 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 55.48 1x5a s HIS 94 Cb -1.49 -3.12 -0.00 0.00 1.11 0.00 0.00 32.58 29.07 1x5a s HIS 94 CO 0.66 -0.80 1.57 -1.21 -0.85 0.00 0.00 174.74 174.11 1x5a s GLU 95 N 2.37 3.51 0.26 1.40 2.02 -1.26 -3.17 118.70 123.83 1x5a s GLU 95 Ca 0.15 1.19 0.11 0.00 0.02 0.00 0.00 54.97 56.44 1x5a s GLU 95 Cb -0.17 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.93 1x5a s GLU 95 CO 0.14 -1.64 -0.13 -0.06 0.02 0.00 0.00 175.26 173.59 1x5a s PHE 96 N 5.93 2.46 -0.03 1.61 0.08 -0.77 -5.00 117.98 122.25 1x5a s PHE 96 Ca 0.69 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.45 1x5a s PHE 96 Cb -0.18 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1x5a s PHE 96 CO 0.33 0.65 0.01 0.50 -0.10 0.00 0.00 175.22 176.60 1x5a s ARG 97 N -3.43 0.27 1.04 0.44 3.52 -1.26 -1.47 118.95 118.06 1x5a s ARG 97 Ca 0.29 0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.84 1x5a s ARG 97 Cb -0.06 -0.49 0.21 0.00 -1.56 0.00 0.00 34.95 33.05 1x5a s ARG 97 CO 0.16 -0.16 1.17 0.95 -0.81 0.00 0.00 175.30 176.61 1x5a s THR 98 N 1.15 1.85 0.26 4.11 -4.23 -1.03 -4.91 115.64 112.84 1x5a s THR 98 Ca -0.08 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.13 1x5a s THR 98 Cb -0.13 -2.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 1x5a s THR 98 CO -0.02 0.00 1.06 -0.55 -0.54 0.00 0.00 174.62 174.57 1x5a s SER 99 N -4.16 7.36 0.50 3.99 0.15 -1.14 -4.05 113.70 116.34 1x5a s SER 99 Ca 0.69 2.18 -0.21 0.00 0.70 0.00 0.00 55.95 59.31 1x5a s SER 99 Cb -0.10 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 1x5a s SER 99 CO 0.55 -0.07 1.15 -2.16 1.20 0.00 0.00 173.24 173.90 1x5a s PRO 100 N -1.31 3.55 -0.02 5.44 0.04 -1.26 -2.19 135.00 139.25 1x5a s PRO 100 Ca 0.44 1.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.91 1x5a s PRO 100 Cb -0.30 -2.20 -0.20 0.00 0.04 0.00 0.00 34.50 31.83 1x5a s PRO 100 CO 0.38 -0.70 1.25 -1.00 0.04 0.00 0.00 177.00 176.97 1x5a h PRO 101 N 1.62 -0.03 -6.69 0.56 0.13 -1.95 -3.46 132.00 122.18 1x5a h PRO 101 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 1x5a h PRO 101 Cb 1.25 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.41 1x5a h PRO 101 CO 0.58 0.45 -0.06 -1.54 -0.23 0.00 0.00 178.00 177.21 1x5a s SER 102 N -5.66 6.30 -0.34 1.44 1.04 -1.26 -5.08 113.70 110.14 1x5a s SER 102 Ca -0.16 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 56.91 1x5a s SER 102 Cb 0.02 -2.14 0.19 0.00 0.10 0.00 0.00 66.02 64.19 1x5a s SER 102 CO 0.66 -0.41 0.93 -0.83 0.98 0.00 0.00 173.24 174.57 1x5a s GLY 103 N -3.98 -1.41 0.00 7.32 0.00 -1.26 -5.05 107.32 102.94 1x5a s GLY 103 Ca 0.44 1.09 -0.24 0.00 0.00 0.00 0.00 44.72 46.01 1x5a s GLY 103 CO 0.39 4.11 1.30 -0.56 0.00 0.00 0.00 173.10 178.34 1x5a h PRO 104 N 6.08 0.14 0.25 2.90 0.13 -1.98 -3.34 132.00 136.17 1x5a h PRO 104 Ca -0.02 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1x5a h PRO 104 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x5a h PRO 104 CO -0.03 0.59 -0.12 1.03 -0.23 0.00 0.00 178.00 179.24 1x5a h SER 105 N -0.30 -0.28 -3.05 1.44 0.87 -2.06 -3.41 113.55 106.75 1x5a h SER 105 Ca 0.01 -0.24 -0.58 0.00 -1.23 0.00 0.00 61.79 59.76 1x5a h SER 105 Cb 0.56 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.54 1x5a h SER 105 CO 0.01 0.13 0.82 -0.55 -0.53 0.00 0.00 176.83 176.72 1x5a s SER 106 N -5.22 7.07 0.00 6.23 0.15 -1.25 -5.33 113.70 115.35 1x5a s SER 106 Ca -0.14 1.45 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1x5a s SER 106 Cb 0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1x5a s SER 106 CO 0.54 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.90