#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 6.23 0.09 1.61 0.15 -1.26 -4.98 113.70 115.54 1x5a s SER 2 Ca 0.00 -0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.19 1x5a s SER 2 Cb 0.00 -2.22 -0.11 0.00 -1.71 0.00 0.00 66.02 61.98 1x5a s SER 2 CO 0.00 -0.40 1.46 -1.28 1.20 0.00 0.00 173.24 174.22 1x5a h SER 3 N 8.47 -1.40 0.00 5.45 0.87 -1.98 -3.45 113.55 121.51 1x5a h SER 3 Ca -0.29 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1x5a h SER 3 Cb 1.14 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1x5a h SER 3 CO 0.73 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1x5a n GLY 4 N -1.37 0.89 3.23 5.77 0.00 -1.26 -4.41 105.19 108.05 1x5a n GLY 4 Ca -0.06 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1x5a n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5a n SER 5 N -2.13 -3.45 -4.11 1.61 3.41 -1.26 -4.91 113.62 102.78 1x5a n SER 5 Ca 0.00 -0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 57.63 1x5a n SER 5 Cb 0.00 -1.00 0.08 0.00 -0.26 0.00 0.00 64.21 63.03 1x5a n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5a n SER 6 N -4.60 -3.28 0.00 4.04 7.64 -1.26 -4.22 113.62 111.94 1x5a n SER 6 Ca 0.09 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1x5a n SER 6 Cb 0.54 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1x5a n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5a n GLY 7 N 2.91 3.10 3.56 0.23 0.00 -1.26 -5.04 105.19 108.69 1x5a n GLY 7 Ca -0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.07 2.40 -0.37 4.61 0.00 -1.26 -4.79 121.76 122.28 1x5a s ALA 8 Ca 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.35 1x5a s ALA 8 Cb 0.00 -4.45 0.70 0.00 0.00 0.00 0.00 23.12 19.37 1x5a s ALA 8 CO 0.00 -3.87 1.83 0.39 0.00 0.00 0.00 175.76 174.11 1x5a n GLU 9 N 9.03 3.05 -3.88 0.00 -0.58 -1.26 -4.92 120.64 122.08 1x5a n GLU 9 Ca 0.27 -3.07 -0.32 0.00 -0.42 0.00 0.00 57.16 53.62 1x5a n GLU 9 Cb 0.50 -2.17 -0.06 0.00 -0.57 0.00 0.00 31.44 29.13 1x5a n GLU 9 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x5a n SER 10 N -0.60 -1.15 -4.06 1.62 2.88 -1.26 -4.72 113.62 106.33 1x5a n SER 10 Ca 0.47 -0.98 -0.40 0.00 -1.33 0.00 0.00 58.87 56.63 1x5a n SER 10 Cb 1.47 -1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.34 -2.44 -1.73 2.46 7.94 -1.26 -4.76 117.00 113.87 1x5a n LEU 11 Ca 0.05 0.82 -0.09 0.00 -1.11 0.00 0.00 56.01 55.68 1x5a n LEU 11 Cb 0.37 -0.84 0.01 0.00 0.53 0.00 0.00 43.42 43.49 1x5a n LEU 11 CO 0.74 -3.76 1.14 -1.20 -1.11 0.00 0.00 177.39 173.21 1x5a n SER 12 N 2.15 5.89 -2.94 1.96 7.64 -1.26 -4.74 113.62 122.31 1x5a n SER 12 Ca 0.12 -2.74 -0.13 0.00 1.01 0.00 0.00 58.87 57.13 1x5a n SER 12 Cb 0.35 -1.11 0.07 0.00 -1.01 0.00 0.00 64.21 62.50 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5a n GLY 13 N 1.00 -0.45 2.47 0.23 0.00 -1.26 -4.85 105.19 102.33 1x5a n GLY 13 Ca 0.17 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.26 2.59 -4.26 0.99 4.77 -1.26 -4.03 117.00 112.54 1x5a n LEU 14 Ca -0.16 -5.26 -0.43 0.00 -0.03 0.00 0.00 56.01 50.13 1x5a n LEU 14 Cb 0.62 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1x5a n LEU 14 CO 0.49 2.19 0.42 -0.94 -1.33 0.00 0.00 177.39 178.22 1x5a s SER 15 N -2.47 6.51 0.16 -1.43 1.04 -1.26 -4.81 113.70 111.43 1x5a s SER 15 Ca 0.41 -3.05 -0.25 0.00 0.48 0.00 0.00 55.95 53.55 1x5a s SER 15 Cb 0.23 -2.11 -0.15 0.00 0.10 0.00 0.00 66.02 64.09 1x5a s SER 15 CO -0.08 -0.42 0.49 0.18 0.98 0.00 0.00 173.24 174.38 1x5a n LEU 16 N 3.40 -1.00 -4.08 2.42 4.77 -1.26 -4.80 117.00 116.45 1x5a n LEU 16 Ca 0.16 0.99 -0.19 0.00 -0.03 0.00 0.00 56.01 56.93 1x5a n LEU 16 Cb 0.42 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.55 1x5a n LEU 16 CO 0.36 -2.53 -0.45 -1.59 -1.33 0.00 0.00 177.39 171.86 1x5a s LYS 17 N -0.80 0.83 -0.61 3.23 0.00 -1.20 -4.98 119.74 116.21 1x5a s LYS 17 Ca 0.58 -0.55 -0.27 0.00 0.00 0.00 0.00 55.97 55.72 1x5a s LYS 17 Cb -0.83 -0.80 0.01 0.00 0.00 0.00 0.00 37.83 36.21 1x5a s LYS 17 CO 0.49 0.20 1.46 -1.17 0.00 0.00 0.00 175.35 176.34 1x5a s LEU 18 N -0.72 3.32 -0.06 2.77 2.96 -1.26 -2.90 118.68 122.79 1x5a s LEU 18 Ca 0.02 0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.86 1x5a s LEU 18 Cb -0.06 -2.85 -0.14 0.00 0.50 0.00 0.00 46.19 43.64 1x5a s LEU 18 CO 0.00 -1.86 0.77 0.58 -1.32 0.00 0.00 176.35 174.53 1x5a h VAL 19 N 6.38 0.70 -3.52 1.68 2.07 -1.06 -3.46 116.25 119.04 1x5a h VAL 19 Ca -0.27 -1.09 -0.26 0.00 0.82 0.00 0.00 66.70 65.90 1x5a h VAL 19 Cb 1.09 1.20 -0.31 0.00 -1.52 0.00 0.00 31.29 31.75 1x5a h VAL 19 CO 1.21 0.19 -0.68 -0.75 0.02 0.00 0.00 177.57 177.55 1x5a s LYS 20 N -3.23 0.02 -0.39 1.57 2.20 -1.19 -4.98 119.74 113.73 1x5a s LYS 20 Ca -0.11 0.17 -0.14 0.00 -0.36 0.00 0.00 55.97 55.53 1x5a s LYS 20 Cb 0.00 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1x5a s LYS 20 CO 0.42 -0.10 0.26 0.21 -0.36 0.00 0.00 175.35 175.78 1x5a s LYS 21 N 0.68 3.04 0.16 4.03 2.20 -1.26 -3.13 119.74 125.45 1x5a s LYS 21 Ca -0.06 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 54.66 1x5a s LYS 21 Cb -0.08 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1x5a s LYS 21 CO -0.02 -0.68 -0.14 -1.21 -0.36 0.00 0.00 175.35 172.94 1x5a s GLU 22 N 1.66 1.16 0.39 4.03 0.41 -0.85 -4.47 118.70 121.02 1x5a s GLU 22 Ca 0.04 -1.40 0.18 0.00 -0.41 0.00 0.00 54.97 53.38 1x5a s GLU 22 Cb -0.19 -1.00 0.78 0.00 -1.78 0.00 0.00 34.13 31.94 1x5a s GLU 22 CO 0.09 0.18 1.80 -1.00 -0.49 0.00 0.00 175.26 175.84 1x5a h PRO 23 N 3.10 0.00 0.00 0.39 0.13 -1.87 -1.22 132.00 132.53 1x5a h PRO 23 Ca -0.39 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1x5a h PRO 23 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1x5a h PRO 23 CO 0.56 0.36 -0.85 0.54 -0.23 0.00 0.00 178.00 178.38 1x5a n ARG 24 N -3.72 0.50 -3.54 0.86 1.74 -1.26 -1.65 116.66 109.58 1x5a n ARG 24 Ca -0.01 -2.38 -0.14 0.00 -0.77 0.00 0.00 57.85 54.55 1x5a n ARG 24 Cb 0.45 -0.53 -0.05 0.00 -1.02 0.00 0.00 32.46 31.31 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 -1.02 0.85 -0.23 5.56 0.74 -1.23 -3.17 119.66 121.15 1x5a s GLN 25 Ca 0.34 0.15 -0.07 0.00 0.05 0.00 0.00 55.36 55.84 1x5a s GLN 25 Cb 0.37 0.40 0.11 0.00 1.10 0.00 0.00 33.01 34.99 1x5a s GLN 25 CO -0.13 -0.28 0.47 -0.51 -0.55 0.00 0.00 175.29 174.29 1x5a s LEU 26 N -1.28 -0.80 0.01 3.68 1.43 -0.72 -2.01 118.68 119.00 1x5a s LEU 26 Ca -0.06 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 1x5a s LEU 26 Cb -0.00 1.57 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1x5a s LEU 26 CO 0.05 -0.24 -0.04 -0.70 0.23 0.00 0.00 176.35 175.64 1x5a s GLU 27 N 2.68 2.61 0.03 1.70 2.12 -1.18 -2.10 118.70 124.56 1x5a s GLU 27 Ca 0.01 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 54.59 1x5a s GLU 27 Cb -0.13 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 1x5a s GLU 27 CO -0.15 0.60 0.05 -0.51 -0.54 0.00 0.00 175.26 174.71 1x5a s LEU 28 N -1.58 1.98 -0.09 2.70 1.43 -1.09 -0.38 118.68 121.65 1x5a s LEU 28 Ca 0.19 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1x5a s LEU 28 Cb -0.11 0.44 0.03 0.00 0.03 0.00 0.00 46.19 46.58 1x5a s LEU 28 CO 0.10 -0.47 0.22 0.28 0.23 0.00 0.00 176.35 176.70 1x5a s THR 29 N -2.50 -0.02 -0.18 5.49 -1.32 -1.14 -2.51 115.64 113.45 1x5a s THR 29 Ca -0.06 0.07 -0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1x5a s THR 29 Cb -0.02 -0.32 0.05 0.00 -1.51 0.00 0.00 72.50 70.69 1x5a s THR 29 CO -0.04 0.03 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.69 1x5a s TRP 30 N 0.63 1.77 0.07 9.09 -2.14 -0.63 -3.20 118.94 124.53 1x5a s TRP 30 Ca -0.04 -1.19 0.04 0.00 2.66 0.00 0.00 56.10 57.57 1x5a s TRP 30 Cb -0.06 -1.34 -0.03 0.00 -3.10 0.00 0.00 33.47 28.94 1x5a s TRP 30 CO -0.03 -0.65 -0.13 0.00 -2.66 0.00 0.00 176.95 173.48 1x5a s ALA 31 N 1.61 1.06 0.00 2.67 0.00 -1.26 -4.76 121.76 121.08 1x5a s ALA 31 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1x5a s ALA 31 Cb -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1x5a s ALA 31 CO -0.07 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1x5a n GLY 32 N 1.23 0.00 3.82 0.00 0.00 -1.26 -4.83 105.19 104.15 1x5a n GLY 32 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 4.65 0.01 1.61 0.01 -1.26 -4.59 113.70 114.13 1x5a s SER 33 Ca 0.00 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.24 1x5a s SER 33 Cb 0.00 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1x5a s SER 33 CO 0.00 -0.71 0.02 0.00 0.41 0.00 0.00 173.24 172.96 1x5a s ARG 34 N -4.05 2.82 0.71 12.44 1.70 -1.26 -5.12 118.95 126.19 1x5a s ARG 34 Ca 0.41 -0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 54.93 1x5a s ARG 34 Cb 0.00 -2.70 0.18 0.00 -0.57 0.00 0.00 34.95 31.86 1x5a s ARG 34 CO 0.23 0.62 0.63 -0.35 -1.08 0.00 0.00 175.30 175.35 1x5a n PRO 35 N 1.21 -2.26 -3.12 3.89 -0.04 -1.26 -4.37 135.00 129.05 1x5a n PRO 35 Ca -0.13 -1.01 -0.19 0.00 -0.04 0.00 0.00 63.50 62.12 1x5a n PRO 35 Cb 0.53 -0.95 0.05 0.00 -0.04 0.00 0.00 33.50 33.08 1x5a n PRO 35 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x5a n ARG 36 N -3.45 -5.22 -3.16 0.54 0.63 -1.26 -4.98 116.66 99.76 1x5a n ARG 36 Ca 0.09 0.73 -0.39 0.00 -0.92 0.00 0.00 57.85 57.36 1x5a n ARG 36 Cb 0.34 -5.32 -0.06 0.00 0.45 0.00 0.00 32.46 27.87 1x5a n ARG 36 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1x5a s ASN 37 N -2.98 7.19 1.13 6.15 2.47 -1.26 -5.07 114.94 122.57 1x5a s ASN 37 Ca 0.36 1.41 -0.17 0.00 0.42 0.00 0.00 52.86 54.88 1x5a s ASN 37 Cb -0.16 -2.41 0.25 0.00 -1.45 0.00 0.00 41.25 37.48 1x5a s ASN 37 CO 0.44 0.25 1.10 -2.16 -3.72 0.00 0.00 177.10 173.01 1x5a s PRO 38 N -1.10 -0.65 0.89 0.43 0.04 -1.26 -5.03 135.00 128.33 1x5a s PRO 38 Ca 0.32 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.35 1x5a s PRO 38 Cb -0.21 -1.64 0.23 0.00 0.04 0.00 0.00 34.50 32.92 1x5a s PRO 38 CO 0.22 -3.37 0.52 0.41 0.04 0.00 0.00 177.00 174.81 1x5a n GLY 39 N -0.99 -3.75 0.84 0.56 0.00 -1.26 -4.76 105.19 95.83 1x5a n GLY 39 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.40 0.86 2.96 -0.02 0.00 -1.26 -4.88 105.19 99.45 1x5a n GLY 40 Ca 0.08 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.84 0.34 -3.31 1.61 4.13 -1.26 -4.85 115.26 111.08 1x5a n ASN 41 Ca 0.00 0.25 -0.27 0.00 1.68 0.00 0.00 54.58 56.24 1x5a n ASN 41 Cb 0.29 -0.79 0.26 0.00 -1.54 0.00 0.00 39.78 38.00 1x5a n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x5a n LEU 42 N 8.47 -0.51 -4.25 3.41 4.77 -1.26 -5.07 117.00 122.56 1x5a n LEU 42 Ca 0.55 -0.76 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 1x5a n LEU 42 Cb 0.01 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.07 1x5a n LEU 42 CO 0.80 -4.30 -0.12 -0.44 -1.33 0.00 0.00 177.39 172.00 1x5a s SER 43 N -2.82 1.29 -0.12 -1.43 0.01 -1.26 -4.91 113.70 104.46 1x5a s SER 43 Ca 0.59 -1.66 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 1x5a s SER 43 Cb -0.11 0.53 0.04 0.00 0.21 0.00 0.00 66.02 66.69 1x5a s SER 43 CO 0.50 -1.03 0.29 -0.31 0.41 0.00 0.00 173.24 173.10 1x5a s TYR 44 N -3.57 -0.37 -0.27 2.43 2.02 -0.35 -2.32 117.35 114.92 1x5a s TYR 44 Ca 0.40 0.87 -0.12 0.00 -0.37 0.00 0.00 57.07 57.84 1x5a s TYR 44 Cb 0.03 0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.66 1x5a s TYR 44 CO 0.24 -0.21 0.22 -2.00 -1.57 0.00 0.00 175.55 172.23 1x5a s GLU 45 N 0.76 3.99 -0.14 -0.62 2.56 -0.25 -0.43 118.70 124.58 1x5a s GLU 45 Ca -0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 54.97 54.63 1x5a s GLU 45 Cb -0.06 -3.63 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 1x5a s GLU 45 CO -0.05 -0.14 0.07 -1.17 -0.56 0.00 0.00 175.26 173.41 1x5a s LEU 46 N 1.66 3.92 -0.14 2.70 1.98 -0.99 -1.86 118.68 125.95 1x5a s LEU 46 Ca 0.09 0.21 -0.03 0.00 -2.89 0.00 0.00 54.13 51.51 1x5a s LEU 46 Cb -0.15 -1.96 0.05 0.00 0.66 0.00 0.00 46.19 44.78 1x5a s LEU 46 CO 0.09 0.29 0.05 -2.28 -1.89 0.00 0.00 176.35 172.61 1x5a s HIS 47 N -0.32 0.61 -0.10 5.38 5.65 -0.65 -0.12 115.29 125.75 1x5a s HIS 47 Ca 0.09 -0.43 -0.03 0.00 0.25 0.00 0.00 55.06 54.95 1x5a s HIS 47 Cb -0.12 -0.82 -0.03 0.00 -1.18 0.00 0.00 32.58 30.42 1x5a s HIS 47 CO 0.02 -0.47 0.01 0.08 -0.65 0.00 0.00 174.74 173.73 1x5a s VAL 48 N 2.00 4.41 0.00 0.89 1.01 0.64 -2.00 120.40 127.35 1x5a s VAL 48 Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1x5a s VAL 48 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1x5a s VAL 48 CO -0.07 0.59 -0.14 -0.76 0.00 0.00 0.00 175.10 174.72 1x5a s LEU 49 N -0.71 2.06 0.42 3.92 1.02 0.23 -0.86 118.68 124.77 1x5a s LEU 49 Ca 0.11 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 53.99 1x5a s LEU 49 Cb -0.12 -0.70 -0.03 0.00 0.02 0.00 0.00 46.19 45.36 1x5a s LEU 49 CO 0.02 0.14 0.07 0.21 0.02 0.00 0.00 176.35 176.82 1x5a s ASN 50 N -0.52 3.18 0.15 2.29 2.47 0.34 -1.07 114.94 121.79 1x5a s ASN 50 Ca 0.05 -1.60 -0.29 0.00 0.42 0.00 0.00 52.86 51.44 1x5a s ASN 50 Cb -0.06 0.34 -0.04 0.00 -1.45 0.00 0.00 41.25 40.04 1x5a s ASN 50 CO -0.00 -0.82 1.55 1.56 -3.72 0.00 0.00 177.10 175.67 1x5a h GLN 51 N 1.72 -0.23 0.00 0.43 4.20 -2.02 -3.17 115.11 116.04 1x5a h GLN 51 Ca -0.39 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.23 1x5a h GLN 51 Cb 1.28 0.05 -0.22 0.00 0.30 0.00 0.00 27.48 28.88 1x5a h GLN 51 CO 0.66 -0.15 -0.81 -0.25 -0.67 0.00 0.00 178.83 177.61 1x5a n ASP 52 N -5.36 1.29 -3.56 1.46 9.92 -1.26 -5.01 116.55 114.02 1x5a n ASP 52 Ca 0.00 -2.78 -0.16 0.00 -0.53 0.00 0.00 54.79 51.32 1x5a n ASP 52 Cb 0.33 -0.39 -0.13 0.00 -0.64 0.00 0.00 41.12 40.29 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 -1.33 0.17 -0.14 -1.24 0.41 -1.20 -5.14 118.70 110.24 1x5a s GLU 53 Ca 0.35 0.47 0.02 0.00 -0.41 0.00 0.00 54.97 55.40 1x5a s GLU 53 Cb 0.38 -0.63 0.00 0.00 -1.78 0.00 0.00 34.13 32.10 1x5a s GLU 53 CO -0.13 -0.49 -0.19 -2.00 -0.49 0.00 0.00 175.26 171.96 1x5a s GLU 54 N 2.38 3.12 -0.01 1.61 -6.30 -1.26 0.13 118.70 118.37 1x5a s GLU 54 Ca 0.05 -0.81 -0.07 0.00 -2.50 0.00 0.00 54.97 51.64 1x5a s GLU 54 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 34.13 31.51 1x5a s GLU 54 CO -0.10 0.05 0.14 1.67 0.02 0.00 0.00 175.26 177.04 1x5a s TRP 55 N 0.68 0.01 0.12 5.30 -2.14 -0.04 -5.01 118.94 117.86 1x5a s TRP 55 Ca -0.09 -0.04 0.06 0.00 2.66 0.00 0.00 56.10 58.68 1x5a s TRP 55 Cb -0.16 -0.03 -0.04 0.00 -3.10 0.00 0.00 33.47 30.14 1x5a s TRP 55 CO 0.02 -0.25 -0.14 -3.38 -2.66 0.00 0.00 176.95 170.53 1x5a s HIS 56 N -1.13 1.40 -0.26 1.66 -3.43 -1.26 -0.26 115.29 112.00 1x5a s HIS 56 Ca -0.12 -0.54 -0.05 0.00 -0.80 0.00 0.00 55.06 53.55 1x5a s HIS 56 Cb -0.07 -0.74 0.14 0.00 -1.43 0.00 0.00 32.58 30.49 1x5a s HIS 56 CO 0.01 0.14 0.52 1.14 -2.00 0.00 0.00 174.74 174.55 1x5a s GLN 57 N -2.56 0.46 -0.02 -0.38 -2.07 0.83 -4.97 119.66 110.95 1x5a s GLN 57 Ca 0.08 1.01 -0.30 0.00 -1.82 0.00 0.00 55.36 54.33 1x5a s GLN 57 Cb -0.06 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1x5a s GLN 57 CO 0.03 -0.43 1.30 1.41 -1.32 0.00 0.00 175.29 176.28 1x5a s MET 58 N 2.74 4.32 0.01 9.60 1.75 -1.26 -2.34 119.30 134.11 1x5a s MET 58 Ca 0.07 1.82 0.06 0.00 -1.25 0.00 0.00 55.69 56.40 1x5a s MET 58 Cb -0.14 -3.56 -0.03 0.00 2.84 0.00 0.00 34.83 33.95 1x5a s MET 58 CO -0.17 -0.51 -0.19 0.14 -0.65 0.00 0.00 175.02 173.64 1x5a s VAL 59 N 2.28 2.73 -0.88 10.11 -7.23 0.43 -4.89 120.40 122.96 1x5a s VAL 59 Ca 0.60 -1.07 0.13 0.00 -1.81 0.00 0.00 61.98 59.82 1x5a s VAL 59 Cb -0.28 -2.10 0.60 0.00 0.56 0.00 0.00 36.38 35.16 1x5a s VAL 59 CO 0.24 0.43 1.46 0.18 -0.31 0.00 0.00 175.10 177.11 1x5a n LEU 60 N 1.86 4.24 -4.03 1.32 4.77 -1.26 -1.22 117.00 122.68 1x5a n LEU 60 Ca -0.16 -2.14 -0.09 0.00 -0.03 0.00 0.00 56.01 53.58 1x5a n LEU 60 Cb 0.52 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1x5a n LEU 60 CO 0.26 0.61 -0.37 -1.83 -1.33 0.00 0.00 177.39 174.73 1x5a s GLU 61 N -2.04 0.44 0.00 3.23 -1.05 -1.26 -4.84 118.70 113.18 1x5a s GLU 61 Ca 0.41 -0.80 0.13 0.00 -0.15 0.00 0.00 54.97 54.57 1x5a s GLU 61 Cb 0.29 0.05 0.78 0.00 -0.44 0.00 0.00 34.13 34.81 1x5a s GLU 61 CO 0.16 -0.04 1.20 -0.35 0.95 0.00 0.00 175.26 177.18 1x5a n PRO 62 N 1.18 0.49 -4.45 -4.83 -0.04 -1.26 -4.72 135.00 121.37 1x5a n PRO 62 Ca -0.21 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.01 1x5a n PRO 62 Cb 0.56 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.80 -0.24 0.54 1.70 -1.26 -1.61 118.95 117.87 1x5a s ARG 63 Ca 0.20 -1.74 -0.17 0.00 -0.47 0.00 0.00 55.73 53.55 1x5a s ARG 63 Cb 0.09 -1.83 0.07 0.00 -0.57 0.00 0.00 34.95 32.71 1x5a s ARG 63 CO 0.15 0.31 0.62 0.54 -1.08 0.00 0.00 175.30 175.84 1x5a s VAL 64 N -2.49 -0.00 -0.28 4.99 0.11 -1.04 -4.94 120.40 116.74 1x5a s VAL 64 Ca 0.31 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1x5a s VAL 64 Cb -0.04 -0.89 0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1x5a s VAL 64 CO 0.16 0.01 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.68 1x5a s LEU 65 N 1.09 3.60 -0.18 2.54 1.98 -1.26 -2.69 118.68 123.76 1x5a s LEU 65 Ca -0.06 -1.17 -0.09 0.00 -2.89 0.00 0.00 54.13 49.92 1x5a s LEU 65 Cb -0.05 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 45.08 1x5a s LEU 65 CO -0.11 -0.21 0.12 -0.76 -1.89 0.00 0.00 176.35 173.51 1x5a s LEU 66 N 1.25 4.17 0.42 -0.68 1.43 -0.89 -5.01 118.68 119.37 1x5a s LEU 66 Ca -0.04 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1x5a s LEU 66 Cb -0.19 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1x5a s LEU 66 CO -0.03 0.23 0.08 0.42 0.23 0.00 0.00 176.35 177.28 1x5a s THR 67 N 0.07 0.88 -1.26 5.49 -4.23 -1.26 -1.75 115.64 113.58 1x5a s THR 67 Ca 0.09 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1x5a s THR 67 Cb -0.11 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1x5a s THR 67 CO -0.00 0.00 1.09 0.29 -0.54 0.00 0.00 174.62 175.46 1x5a n LYS 68 N -0.98 -7.32 -3.49 3.99 5.02 -1.19 -4.95 118.16 109.24 1x5a n LYS 68 Ca -0.09 0.79 -0.19 0.00 -2.02 0.00 0.00 58.31 56.80 1x5a n LYS 68 Cb 0.66 -5.70 -0.01 0.00 -0.02 0.00 0.00 35.03 29.96 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 -6.81 3.93 -0.02 -0.35 1.43 -1.24 -5.05 118.68 110.58 1x5a s LEU 69 Ca 0.45 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1x5a s LEU 69 Cb -0.20 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 1x5a s LEU 69 CO 0.69 -0.43 0.32 -1.10 0.23 0.00 0.00 176.35 176.06 1x5a s GLN 70 N -4.16 3.72 0.40 1.70 -1.52 -1.26 -4.32 119.66 114.22 1x5a s GLN 70 Ca 0.45 0.17 -0.25 0.00 -1.95 0.00 0.00 55.36 53.77 1x5a s GLN 70 Cb -0.09 -3.16 -0.08 0.00 -0.22 0.00 0.00 33.01 29.45 1x5a s GLN 70 CO 0.31 0.69 1.19 -1.25 -0.25 0.00 0.00 175.29 175.98 1x5a s PRO 71 N -1.27 4.06 -1.19 2.91 0.04 -0.66 -3.69 135.00 135.19 1x5a s PRO 71 Ca 0.23 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 1x5a s PRO 71 Cb -0.15 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1x5a s PRO 71 CO 0.12 -0.34 0.84 -3.47 0.04 0.00 0.00 177.00 174.19 1x5a n ASP 72 N 0.12 -3.40 -3.86 6.66 2.03 -1.11 -4.87 116.55 112.12 1x5a n ASP 72 Ca 0.04 -0.77 -0.14 0.00 0.52 0.00 0.00 54.79 54.43 1x5a n ASP 72 Cb 0.46 -4.50 -0.15 0.00 -0.72 0.00 0.00 41.12 36.20 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 -3.50 0.11 -0.32 5.18 2.01 -1.24 -4.95 115.64 112.92 1x5a s THR 73 Ca 0.19 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 1x5a s THR 73 Cb -0.04 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.33 1x5a s THR 73 CO 0.78 0.07 0.95 -0.89 -0.69 0.00 0.00 174.62 174.85 1x5a s THR 74 N 0.40 4.62 -0.22 -0.82 2.01 -1.26 -2.40 115.64 117.97 1x5a s THR 74 Ca -0.04 1.47 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 1x5a s THR 74 Cb -0.06 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 1x5a s THR 74 CO -0.01 -0.41 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.15 1x5a s TYR 75 N 3.38 2.96 0.02 4.92 2.02 -0.23 -4.52 117.35 125.90 1x5a s TYR 75 Ca 0.40 -1.06 -0.24 0.00 -0.37 0.00 0.00 57.07 55.80 1x5a s TYR 75 Cb -0.13 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1x5a s TYR 75 CO 0.15 -0.59 0.74 0.42 -1.57 0.00 0.00 175.55 174.70 1x5a s ILE 76 N 1.45 4.79 0.03 2.71 -1.09 -0.23 -3.48 121.20 125.38 1x5a s ILE 76 Ca 0.05 1.56 0.05 0.00 -2.23 0.00 0.00 60.65 60.08 1x5a s ILE 76 Cb -0.14 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1x5a s ILE 76 CO -0.04 0.35 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.20 1x5a s VAL 77 N 0.05 1.07 -0.20 2.92 1.01 -1.23 -0.60 120.40 123.42 1x5a s VAL 77 Ca 0.38 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1x5a s VAL 77 Cb -0.20 -0.96 0.09 0.00 0.00 0.00 0.00 36.38 35.31 1x5a s VAL 77 CO 0.22 0.06 0.43 0.00 0.00 0.00 0.00 175.10 175.81 1x5a s ARG 78 N -0.94 0.34 0.03 2.72 1.70 -0.85 -3.09 118.95 118.87 1x5a s ARG 78 Ca 0.02 1.02 0.07 0.00 -0.47 0.00 0.00 55.73 56.38 1x5a s ARG 78 Cb -0.07 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1x5a s ARG 78 CO 0.01 -0.24 -0.20 0.54 -1.08 0.00 0.00 175.30 174.33 1x5a s VAL 79 N 2.46 2.65 -0.02 4.99 0.11 -1.26 -1.63 120.40 127.70 1x5a s VAL 79 Ca -0.03 -1.20 -0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1x5a s VAL 79 Cb -0.11 -2.09 0.02 0.00 -1.53 0.00 0.00 36.38 32.66 1x5a s VAL 79 CO -0.13 0.37 0.04 0.00 -3.33 0.00 0.00 175.10 172.04 1x5a s ARG 80 N -1.33 0.00 0.15 1.54 1.04 -0.78 -3.50 118.95 116.08 1x5a s ARG 80 Ca 0.14 0.14 -0.31 0.00 -1.04 0.00 0.00 55.73 54.66 1x5a s ARG 80 Cb -0.10 -0.13 -0.08 0.00 -2.04 0.00 0.00 34.95 32.59 1x5a s ARG 80 CO 0.04 -0.10 1.35 0.99 -0.04 0.00 0.00 175.30 177.54 1x5a s THR 81 N 0.63 3.27 0.18 4.99 2.01 -1.26 -1.09 115.64 124.38 1x5a s THR 81 Ca -0.05 0.98 -0.21 0.00 0.31 0.00 0.00 61.69 62.71 1x5a s THR 81 Cb -0.07 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1x5a s THR 81 CO -0.02 0.11 0.72 -0.76 -0.69 0.00 0.00 174.62 173.98 1x5a s LEU 82 N 0.50 4.45 0.03 4.42 2.01 -0.98 -2.26 118.68 126.85 1x5a s LEU 82 Ca 0.61 1.47 -0.02 0.00 0.01 0.00 0.00 54.13 56.20 1x5a s LEU 82 Cb -0.36 -3.39 -0.02 0.00 0.01 0.00 0.00 46.19 42.43 1x5a s LEU 82 CO 0.34 0.13 0.01 0.42 1.01 0.00 0.00 176.35 178.26 1x5a s THR 83 N -1.34 0.13 0.22 5.49 -4.23 -1.26 -4.47 115.64 110.18 1x5a s THR 83 Ca 0.39 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1x5a s THR 83 Cb -0.19 -0.58 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 1x5a s THR 83 CO 0.22 -0.58 1.58 1.55 -0.54 0.00 0.00 174.62 176.86 1x5a h PRO 84 N 4.21 0.54 -3.46 3.99 0.13 -2.01 -3.37 132.00 132.01 1x5a h PRO 84 Ca -0.32 -0.28 -0.63 0.00 -0.87 0.00 0.00 66.00 63.90 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 0.87 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.89 1x5a s LEU 85 N -8.46 3.51 0.00 1.56 1.43 -1.26 -4.91 118.68 110.54 1x5a s LEU 85 Ca -0.07 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.47 1x5a s LEU 85 Cb 0.12 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1x5a s LEU 85 CO 0.82 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.72 1x5a n GLY 86 N 3.67 -1.76 3.77 -3.19 0.00 -1.26 -5.02 105.19 101.39 1x5a n GLY 86 Ca 0.05 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.41 4.23 0.85 1.61 0.04 -1.26 -4.70 135.00 135.36 1x5a s PRO 87 Ca 0.00 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.87 1x5a s PRO 87 Cb 0.00 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.72 1x5a s PRO 87 CO 0.00 -0.21 0.86 0.41 0.04 0.00 0.00 177.00 178.11 1x5a n GLY 88 N 0.78 -0.88 3.69 0.56 0.00 -0.96 -4.94 105.19 103.43 1x5a n GLY 88 Ca 0.02 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.85 0.62 -0.34 1.61 0.04 -1.26 -4.71 135.00 127.11 1x5a s PRO 89 Ca 0.66 0.59 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 1x5a s PRO 89 Cb -0.27 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1x5a s PRO 89 CO 0.58 -2.62 0.78 -0.06 0.04 0.00 0.00 177.00 175.72 1x5a s PHE 90 N -2.96 3.15 0.76 0.56 0.08 -1.26 -4.56 117.98 113.75 1x5a s PHE 90 Ca 0.65 0.64 -0.17 0.00 0.12 0.00 0.00 56.93 58.17 1x5a s PHE 90 Cb -0.18 -3.32 -0.14 0.00 -0.57 0.00 0.00 43.02 38.80 1x5a s PHE 90 CO 0.57 -0.66 -0.44 -1.13 -0.10 0.00 0.00 175.22 173.46 1x5a n SER 91 N 6.32 -4.75 -4.75 1.36 3.41 -1.23 -4.84 113.62 109.14 1x5a n SER 91 Ca 0.03 0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 58.65 1x5a n SER 91 Cb 0.48 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.58 4.42 -0.50 4.33 0.04 -1.26 -4.80 135.00 135.65 1x5a s PRO 92 Ca 0.49 2.05 -0.43 0.00 0.04 0.00 0.00 61.00 63.15 1x5a s PRO 92 Cb -0.33 -3.17 -0.18 0.00 0.04 0.00 0.00 34.50 30.86 1x5a s PRO 92 CO 0.74 -0.16 2.16 -0.40 0.04 0.00 0.00 177.00 179.38 1x5a n ASP 93 N 1.96 0.85 -4.47 6.66 5.68 -1.26 -4.84 116.55 121.12 1x5a n ASP 93 Ca 0.03 0.65 -0.43 0.00 -0.50 0.00 0.00 54.79 54.54 1x5a n ASP 93 Cb 0.43 -0.93 -0.05 0.00 -1.14 0.00 0.00 41.12 39.43 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1x5a s HIS 94 N 6.17 2.91 -0.40 2.11 3.76 -1.18 -4.98 115.29 123.69 1x5a s HIS 94 Ca 1.19 -0.36 -0.28 0.00 -0.15 0.00 0.00 55.06 55.47 1x5a s HIS 94 Cb -1.44 -3.84 -0.02 0.00 1.11 0.00 0.00 32.58 28.39 1x5a s HIS 94 CO 0.64 -1.23 1.83 -2.00 -0.85 0.00 0.00 174.74 173.13 1x5a s GLU 95 N 3.28 3.15 0.05 1.40 2.12 -1.26 -3.56 118.70 123.88 1x5a s GLU 95 Ca 0.21 1.24 0.09 0.00 0.36 0.00 0.00 54.97 56.88 1x5a s GLU 95 Cb -0.17 -4.25 -0.03 0.00 0.26 0.00 0.00 34.13 29.95 1x5a s GLU 95 CO 0.14 -2.09 -0.25 -0.06 -0.54 0.00 0.00 175.26 172.47 1x5a s PHE 96 N 7.51 2.19 -0.06 5.30 0.08 -1.23 -5.03 117.98 126.74 1x5a s PHE 96 Ca 0.77 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.47 1x5a s PHE 96 Cb -0.20 -1.29 -0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1x5a s PHE 96 CO 0.31 0.14 -0.21 0.50 -0.10 0.00 0.00 175.22 175.85 1x5a s ARG 97 N -1.32 2.36 0.76 0.44 3.52 -1.26 -1.07 118.95 122.38 1x5a s ARG 97 Ca 0.11 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 54.83 1x5a s ARG 97 Cb -0.10 -1.94 0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1x5a s ARG 97 CO 0.02 0.26 1.10 0.95 -0.81 0.00 0.00 175.30 176.82 1x5a s THR 98 N 0.10 3.23 0.44 4.11 -4.23 -1.01 -4.89 115.64 113.38 1x5a s THR 98 Ca -0.08 0.40 -0.25 0.00 -1.18 0.00 0.00 61.69 60.58 1x5a s THR 98 Cb -0.14 -3.25 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 1x5a s THR 98 CO 0.04 -0.52 1.30 -0.55 -0.54 0.00 0.00 174.62 174.36 1x5a s SER 99 N -4.11 6.11 0.51 3.99 0.15 -0.46 -4.17 113.70 115.72 1x5a s SER 99 Ca 0.60 2.64 -0.21 0.00 0.70 0.00 0.00 55.95 59.68 1x5a s SER 99 Cb -0.13 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.48 1x5a s SER 99 CO 0.53 -0.99 1.14 -2.16 1.20 0.00 0.00 173.24 172.97 1x5a s PRO 100 N -2.42 3.54 1.08 5.44 0.04 -1.26 -2.74 135.00 138.67 1x5a s PRO 100 Ca 0.60 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1x5a s PRO 100 Cb -0.37 -2.18 0.23 0.00 0.04 0.00 0.00 34.50 32.21 1x5a s PRO 100 CO 0.47 -0.71 1.10 -1.25 0.04 0.00 0.00 177.00 176.65 1x5a s PRO 101 N -3.03 -0.20 -0.45 0.56 0.04 -1.26 -4.79 135.00 125.87 1x5a s PRO 101 Ca 0.69 0.30 -0.41 0.00 0.04 0.00 0.00 61.00 61.63 1x5a s PRO 101 Cb -0.26 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 1x5a s PRO 101 CO 0.30 -3.11 1.82 0.45 0.04 0.00 0.00 177.00 176.50 1x5a n SER 102 N -4.40 0.78 -3.96 6.66 2.88 -1.26 -4.88 113.62 109.44 1x5a n SER 102 Ca 0.08 0.73 -0.11 0.00 -1.33 0.00 0.00 58.87 58.23 1x5a n SER 102 Cb 0.58 -0.81 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1x5a n SER 102 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5a s GLY 103 N 4.77 1.08 1.22 0.46 0.00 -1.26 -5.17 107.32 108.41 1x5a s GLY 103 Ca 1.05 -1.33 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 1x5a s GLY 103 CO 0.63 -1.01 1.11 2.56 0.00 0.00 0.00 173.10 176.40 1x5a s PRO 104 N -3.93 -1.34 -0.14 2.90 0.04 -1.26 -5.09 135.00 126.19 1x5a s PRO 104 Ca 0.31 -0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.18 1x5a s PRO 104 Cb 0.02 -1.59 0.06 0.00 0.04 0.00 0.00 34.50 33.04 1x5a s PRO 104 CO 0.12 -3.78 0.31 -1.54 0.04 0.00 0.00 177.00 172.15 1x5a s SER 105 N -3.92 -0.13 0.41 6.66 1.04 -1.26 -5.14 113.70 111.36 1x5a s SER 105 Ca 0.71 0.68 -0.27 0.00 0.48 0.00 0.00 55.95 57.56 1x5a s SER 105 Cb -0.09 0.69 -0.10 0.00 0.10 0.00 0.00 66.02 66.62 1x5a s SER 105 CO 0.56 -0.20 1.45 -1.54 0.98 0.00 0.00 173.24 174.48 1x5a n SER 106 N 4.72 3.49 -0.15 7.02 3.41 -1.26 -5.38 113.62 125.47 1x5a n SER 106 Ca -0.17 1.18 0.15 0.00 -0.26 0.00 0.00 58.87 59.77 1x5a n SER 106 Cb 0.52 -1.60 0.82 0.00 -0.26 0.00 0.00 64.21 63.68 1x5a n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49